RAB9A_RAT Loading...

Ras-related protein Rab-9A

The small GTPases Rab are key regulators of intracellular membrane trafficking, from the formation of transport vesicles to their fusion with membranes. Rabs cycle between an inactive GDP-bound form and an active GTP-bound form that is able to recruit to membranes different sets of downstream effectors directly responsible for vesicle formation, movement, tethering and fusion (By similarity). RAB9A is involved in the transport of proteins between the endosomes and the trans-Golgi network (TGN). Specifically uses NDE1/NDEL1 as an effector to interact with the dynein motor complex in order to control retrograde trafficking of RAB9-associated late endosomes to the TGN (By similarity). Involved in the recruitment of SGSM2 to melanosomes and is required for the proper trafficking of melanogenic enzymes TYR, TYRP1 and DCT/TYRP2 to melanosomes in melanocytes (By similarity).

AlphaFold DB , UniProt , Accession Q99P75, Species RAT (Rattus norvegicus, Rat), Gene Rab9a, Length 201 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.1	Very low	78.3	Confident	240 Å²	240	77.9 Å²	77.9	100%	1.182	46%	0.459	S	S	*	.				0	113.4	0	-74.4	-172.1	-99.2	0	0	106.1	G3	M1-G3 PolarHBondContact O-N 3.15Å; M1-G3 VanDerWaalsContact O-N 3.09Å
2	A	52.8	Low	80	Confident	109 Å²	109	71.4 Å²	71.4	90%	0.901	42%	0.421	S	S	*	.			trans	-65.1	111.7	170.6	0	0	0	0	0	106
3	G	55.9	Low	81.5	Confident	65 Å²	65	65.9 Å²	65.9	67%	0.67	39%	0.388	S	S	*	.			trans	-52.2	147.3	172.1	0	0	0	0	0	108.8	M1 S5	M1-G3 PolarHBondContact O-N 3.15Å; M1-G3 VanDerWaalsContact O-N 3.09Å; G3-S5 PolarHBondContact O-N 3.11Å
4	K	57.7	Low	82.7	Confident	206 Å²	206	61.2 Å²	61.2	90%	0.896	36%	0.361	S	S	*	.			trans	-56.2	111.8	172.5	-176.4	-177.3	178.4	-171.6	0	107.1	S6	K4-S6 PolarHBondContact O-N 2.95Å
5	S	73.7	Confident	83.8	Confident	56 Å²	56	58.8 Å²	58.8	39%	0.392	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-68	128.8	177.3	-173.9	0	0	0	0	108.8	G3 F55 V56 T57	G3-S5 PolarHBondContact O-N 3.11Å; S5-F55 PolarHBondContact OG-O 3.25Å; S5-F55 VanDerWaalsContact OG-O 3.06Å; S5-V56 WeakPolarHBondContact OG-CA 3.41Å; S5-T57 PolarHBondContact OG-N 3.05Å
6	S	91.6	Very high	84.6	Confident	51 Å²	51	56.1 Å²	56.1	36%	0.357	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	135.6	175.7	-63	0	0	0	0	109.5	K4 V56 T57	K4-S6 PolarHBondContact O-N 2.95Å; S6-V56 WeakPolarHBondContact O-CA 3.39Å; S6-T57 PolarHBondContact O-N 2.94Å
7	L	96.8	Very high	85.2	Confident	98 Å²	98	55.1 Å²	55.1	51%	0.513	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	118.7	172.1	177.3	68.4	0	0	0	108.1	T57 Q59	L7-T57 WeakPolarHBondContact CA-O 3.48Å; L7-T57 HydrophobicContact CD1-CG2 3.72Å; L7-Q59 HydrophobicContact CD1-CB 3.94Å
8	F	98.3	Very high	86	Confident	2 Å²	2	52 Å²	52	1%	0.009	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	118.1	177.8	-69.5	-18.2	0	0	0	110.8	V56 T57 Q59 D81 V169 I172 L173	F8-V56 HydrophobicContact CD2-CB 4.11Å; F8-V56 HydrophobicContact CD2-CG1 4.06Å; F8-V56 HydrophobicContact CD2-CG2 4.21Å; F8-V56 HydrophobicContact CE2-CB 4.24Å; F8-V56 HydrophobicContact CE2-CG1 3.67Å; F8-V56 HydrophobicContact CZ-CG1 4.26Å; F8-T57 PolarHBondContact N-O 3.15Å; F8-Q59 PolarHBondContact O-N 3.01Å; F8-D81 WeakPolarHBondContact CA-OD2 3.12Å; F8-V169 HydrophobicContact CD2-CG1 4.02Å; F8-V169 HydrophobicContact CE2-CG1 3.94Å; F8-I172 HydrophobicContact CB-CD1 3.84Å; F8-I172 HydrophobicContact CD1-CG2 3.77Å; F8-I172 HydrophobicContact CD2-CB 4.28Å; F8-I172 HydrophobicContact CD2-CD1 4.08Å; F8-I172 HydrophobicContact CD2-CG2 4.05Å; F8-I172 HydrophobicContact CE1-CG2 3.61Å; F8-I172 HydrophobicContact CE2-CB 4.23Å; F8-I172 HydrophobicContact CE2-CG2 3.88Å; F8-I172 HydrophobicContact CG-CD1 3.97Å; F8-I172 HydrophobicContact CG-CG2 4Å; F8-I172 HydrophobicContact CZ-CB 4.47Å; F8-I172 HydrophobicContact CZ-CG2 3.67Å; F8-L173 HydrophobicContact CE2-CD2 3.9Å; F8-L173 HydrophobicContact CE2-CG 3.98Å; F8-L173 HydrophobicContact CZ-CD2 3.75Å; F8-L173 HydrophobicContact CZ-CG 4.24Å
9	K	98.6	Very high	86.6	Confident	30 Å²	30	49.8 Å²	49.8	13%	0.13	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	114	177.6	179.7	169.5	167.9	-171.9	0	110.2	F76 R78 G79 S80 D81 C82	K9-F76 VanDerWaalsContact CE-O 3.31Å; K9-F76 WeakPolarHBondContact CE-O 3.29Å; K9-F76 PolarHBondContact NZ-O 2.99Å; K9-R78 PolarHBondContact NZ-O 3.12Å; K9-G79 WeakPolarHBondContact CD-O 3.26Å; K9-S80 WeakPolarHBondContact CE-OG 3.33Å; K9-D81 PolarHBondContact N-OD2 2.61Å; K9-D81 PolarHBondContact O-N 3.17Å; K9-C82 PolarHBondContact O-N 3.1Å
10	I	98.9	Very high	87.2	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131	178.5	-54.5	-170.6	0	0	0	108.7	M58 Q59 I60 W61 C82 L84 A168 I172	I10-M58 HydrophobicContact CD1-CE 3.6Å; I10-M58 HydrophobicContact CD1-CG 3.46Å; I10-M58 VanDerWaalsContact CD1-CG 3.46Å; I10-M58 HydrophobicContact CD1-SD 3.58Å; I10-M58 VanDerWaalsContact CD1-SD 3.58Å; I10-M58 HydrophobicContact CG1-CG 3.97Å; I10-Q59 PolarHBondContact N-O 3.29Å; I10-I60 CarbonylContact O-C 3.58Å; I10-I60 WeakPolarHBondContact O-CA 3.14Å; I10-W61 PolarHBondContact O-N 2.8Å; I10-C82 WeakPolarHBondContact CA-O 3.28Å; I10-L84 HydrophobicContact CG2-CD1 3.65Å; I10-L84 HydrophobicContact CG2-CG 3.61Å; I10-A168 HydrophobicContact CD1-CB 3.71Å; I10-I172 HydrophobicContact CD1-CD1 4.5Å; I10-I172 HydrophobicContact CG1-CD1 4.29Å
11	I	98.8	Very high	87.7	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	134.7	178.3	-165.8	165.7	0	0	0	111.6	L13 W61 T63 Y77 C82 C83 L84 F105	I11-L13 HydrophobicContact CD1-CD2 4.14Å; I11-L13 HydrophobicContact CG1-CD2 4.07Å; I11-L13 HydrophobicContact CG1-CG 4.34Å; I11-L13 HydrophobicContact CG2-CG 4.46Å; I11-W61 HydrophobicContact CB-CB 4.37Å; I11-W61 HydrophobicContact CG1-CB 4.08Å; I11-T63 HydrophobicContact CD1-CG2 3.9Å; I11-T63 HydrophobicContact CG1-CG2 3.82Å; I11-Y77 HydrophobicContact CD1-CD1 3.32Å; I11-Y77 HydrophobicContact CD1-CE1 3.76Å; I11-Y77 HydrophobicContact CD1-CG 4.24Å; I11-C82 PolarHBondContact N-O 3.42Å; I11-C82 VanDerWaalsContact N-O 3.08Å; I11-C83 HydrophobicContact CG2-CB 3.99Å; I11-L84 PolarHBondContact O-N 3.1Å; I11-F105 HydrophobicContact CG2-CD2 4.14Å; I11-F105 HydrophobicContact CG2-CE2 3.72Å
12	L	98.9	Very high	90.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	119.6	174.2	-68	160.4	0	0	0	109.7	K20 M24 I60 W61 D62 T63 L84 F165	L12-K20 HydrophobicContact CB-CB 4.14Å; L12-K20 HydrophobicContact CB-CD 4.22Å; L12-K20 HydrophobicContact CB-CG 4.38Å; L12-M24 HydrophobicContact CD1-CB 3.84Å; L12-I60 HydrophobicContact CD1-CG2 3.71Å; L12-I60 HydrophobicContact CG-CG2 4.19Å; L12-W61 PolarHBondContact N-O 3.22Å; L12-D62 HydrophobicContact CD1-CB 4.4Å; L12-T63 PolarHBondContact O-OG1 3.22Å; L12-L84 HydrophobicContact CD2-CB 3.69Å; L12-L84 HydrophobicContact CD2-CD1 3.57Å; L12-L84 HydrophobicContact CD2-CG 4.25Å; L12-L84 HydrophobicContact CG-CB 4.49Å; L12-L84 HydrophobicContact CG-CD1 4.37Å; L12-F165 HydrophobicContact CD1-CZ 4.4Å; L12-F165 HydrophobicContact CD2-CE1 4.38Å; L12-F165 HydrophobicContact CD2-CZ 4.14Å
13	L	98.9	Very high	92.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	158.4	177.1	-61.9	-173.6	0	0	0	111.5	I11 T63 Y77 L84 L85 T86 W101 F105	I11-L13 HydrophobicContact CD1-CD2 4.14Å; I11-L13 HydrophobicContact CG1-CD2 4.07Å; I11-L13 HydrophobicContact CG1-CG 4.34Å; I11-L13 HydrophobicContact CG2-CG 4.46Å; L13-T63 HydrophobicContact CD2-CG2 4.02Å; L13-T63 WeakPolarHBondContact CD2-OG1 3.09Å; L13-Y77 HydrophobicContact CD1-CE1 4.33Å; L13-Y77 HydrophobicContact CD1-CE2 4.12Å; L13-Y77 HydrophobicContact CD2-CD1 4.45Å; L13-Y77 HydrophobicContact CD2-CE1 3.53Å; L13-Y77 WeakPolarHBondContact CD2-OH 3.45Å; L13-L84 PolarHBondContact N-O 3.21Å; L13-L85 HydrophobicContact CB-CD2 4.09Å; L13-T86 PolarHBondContact O-N 2.96Å; L13-W101 HydrophobicContact CB-CE3 3.95Å; L13-W101 HydrophobicContact CB-CZ3 4.41Å; L13-W101 HydrophobicContact CD1-CE3 4.43Å; L13-W101 HydrophobicContact CD2-CE3 4.46Å; L13-W101 HydrophobicContact CD2-CZ3 4.27Å; L13-F105 HydrophobicContact CD1-CB 3.65Å; L13-F105 HydrophobicContact CD1-CD2 3.8Å; L13-F105 HydrophobicContact CD1-CG 4.04Å
14	G	98.8	Very high	94.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.163	C	C	.	.			trans	140.3	167.8	-175.1	0	0	0	0	0	112.2	K20 G65 T86 W101	G14-K20 PolarHBondContact O-NZ 3.36Å; G14-G65 VanDerWaalsContact O-CA 3.23Å; G14-G65 WeakPolarHBondContact O-CA 3.43Å; G14-T86 WeakPolarHBondContact CA-O 3.48Å; G14-W101 WeakPolarHBondContact O-CH2 3.42Å; G14-W101 WeakPolarHBondContact O-CZ2 3.41Å
15	D	98.6	Very high	96.7	Very high	25 Å²	25	19.8 Å²	19.8	13%	0.134	13%	0.13	C	C	.	.	S	Bend	trans	-58	163.1	-176.2	-77.2	7.3	0	0	0	113.1	V18 K20 S94 N97 W101	D15-V18 HydrophobicContact CB-CG1 3.96Å; D15-V18 VanDerWaalsContact O-CG2 3.3Å; D15-V18 WeakPolarHBondContact O-CG2 3.42Å; D15-K20 PolarHBondContact O-NZ 3.24Å; D15-S94 WeakPolarHBondContact OD2-CA 3.46Å; D15-N97 PolarHBondContact OD2-ND2 3.09Å; D15-W101 PolarHBondContact OD1-NE1 2.86Å
16	G	96.8	Very high	97.9	Very high	15 Å²	15	18.9 Å²	18.9	16%	0.155	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	141.5	175.2	0	0	0	0	0	111.5	V18 G65	G16-V18 VanDerWaalsContact C-N 3.28Å; G16-V18 PolarHBondContact O-N 2.87Å; G16-G65 PolarHBondContact N-O 3.06Å
17	G	96	Very high	98.3	Very high	39 Å²	39	17.3 Å²	17.3	40%	0.402	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	-1.1	174.9	0	0	0	0	0	115.6	G19 K125	G17-G19 PolarHBondContact O-N 3.49Å; G17-K125 WeakPolarHBondContact O-CE 3.44Å; G17-K125 PolarHBondContact O-NZ 3.21Å
18	V	98	Very high	98.3	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	-70.3	-13.7	175.1	-54.4	0	0	0	0	113.6	D15 G16 K20 T86 N124	D15-V18 HydrophobicContact CB-CG1 3.96Å; D15-V18 VanDerWaalsContact O-CG2 3.3Å; D15-V18 WeakPolarHBondContact O-CG2 3.42Å; G16-V18 VanDerWaalsContact C-N 3.28Å; G16-V18 PolarHBondContact O-N 2.87Å; V18-K20 HydrophobicContact CG2-CD 4.41Å; V18-K20 HydrophobicContact CG2-CG 3.73Å; V18-T86 HydrophobicContact CB-CG2 4.43Å; V18-T86 HydrophobicContact CG2-CG2 3.8Å; V18-N124 PolarHBondContact O-ND2 3.27Å
19	G	98.3	Very high	98.2	Very high	10 Å²	10	17.2 Å²	17.2	10%	0.103	11%	0.108	C	C	.	.	S	Bend	trans	100.6	22.1	174.1	0	0	0	0	0	116.3	G17 S21 S22 L23	G17-G19 PolarHBondContact O-N 3.49Å; G19-S21 PolarHBondContact O-N 3.14Å; G19-S22 WeakPolarHBondContact O-CB 3.27Å; G19-S22 PolarHBondContact O-N 3.13Å; G19-S22 VanDerWaalsContact O-N 3.14Å; G19-L23 WeakPolarHBondContact O-CG 3.31Å; G19-L23 PolarHBondContact O-N 2.69Å
20	K	98.5	Very high	98.2	Very high	8 Å²	8	21 Å²	21	4%	0.035	13%	0.13	C	C	.	.	H	α-helix	trans	-51.4	-54.3	175.6	-59.9	-174.4	-60.1	-73.2	0	113	L12 G14 D15 V18 S22 L23 M24 D62 T63 T86	L12-K20 HydrophobicContact CB-CB 4.14Å; L12-K20 HydrophobicContact CB-CD 4.22Å; L12-K20 HydrophobicContact CB-CG 4.38Å; G14-K20 PolarHBondContact O-NZ 3.36Å; D15-K20 PolarHBondContact O-NZ 3.24Å; V18-K20 HydrophobicContact CG2-CD 4.41Å; V18-K20 HydrophobicContact CG2-CG 3.73Å; K20-S22 VanDerWaalsContact C-N 3.29Å; K20-S22 PolarHBondContact O-N 2.8Å; K20-L23 WeakPolarHBondContact O-CB 3.47Å; K20-L23 PolarHBondContact O-N 3.49Å; K20-L23 VanDerWaalsContact O-N 3.14Å; K20-M24 PolarHBondContact O-N 3.11Å; K20-D62 WeakPolarHBondContact CB-OD1 3.35Å; K20-T63 WeakPolarHBondContact CE-O 3.45Å; K20-T86 HydrophobicContact CG-CG2 4.35Å
21	S	98.3	Very high	98.1	Very high	21 Å²	21	28 Å²	28	15%	0.147	16%	0.16	C	C	.	.	H	α-helix	trans	-61	-38.5	177.2	-35.7	0	0	0	0	112.1	G19 M24 N25 T39 D62	G19-S21 PolarHBondContact O-N 3.14Å; S21-M24 PolarHBondContact O-N 3.45Å; S21-N25 WeakPolarHBondContact O-CB 3.4Å; S21-N25 VanDerWaalsContact O-CG 3.31Å; S21-N25 PolarHBondContact O-N 3.43Å; S21-N25 PolarHBondContact O-ND2 2.95Å; S21-T39 PolarHBondContact OG-OG1 3.45Å; S21-D62 WeakPolarHBondContact CA-OD2 3.42Å; S21-D62 WeakPolarHBondContact CB-OD2 3.44Å; S21-D62 PolarHBondContact N-OD1 3.09Å; S21-D62 PolarHBondContact OG-OD2 2.96Å
22	S	98.5	Very high	98	Very high	19 Å²	19	31.8 Å²	31.8	13%	0.133	18%	0.177	C	C	.	.	H	α-helix	trans	-64.4	-40.6	176.1	-49.5	0	0	0	0	111.7	G19 K20 R26	G19-S22 WeakPolarHBondContact O-CB 3.27Å; G19-S22 PolarHBondContact O-N 3.13Å; G19-S22 VanDerWaalsContact O-N 3.14Å; K20-S22 VanDerWaalsContact C-N 3.29Å; K20-S22 PolarHBondContact O-N 2.8Å; S22-R26 WeakPolarHBondContact O-CB 3.21Å; S22-R26 PolarHBondContact O-N 2.82Å
23	L	98.9	Very high	97.7	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-64.6	-47.3	175.3	-74.3	168.5	0	0	0	111.3	G19 K20 R26 Y27 T86 L122 N124 A155 V161 F165	G19-L23 WeakPolarHBondContact O-CG 3.31Å; G19-L23 PolarHBondContact O-N 2.69Å; K20-L23 WeakPolarHBondContact O-CB 3.47Å; K20-L23 PolarHBondContact O-N 3.49Å; K20-L23 VanDerWaalsContact O-N 3.14Å; L23-R26 PolarHBondContact O-N 3.25Å; L23-Y27 WeakPolarHBondContact O-CB 3.47Å; L23-Y27 PolarHBondContact O-N 3.26Å; L23-T86 HydrophobicContact CD1-CG2 3.85Å; L23-L122 HydrophobicContact CD1-CD1 4Å; L23-N124 HydrophobicContact CD1-CB 4.15Å; L23-A155 HydrophobicContact CD2-CB 3.99Å; L23-A155 HydrophobicContact CG-CB 4.19Å; L23-V161 HydrophobicContact CD2-CG1 4.43Å; L23-V161 HydrophobicContact CD2-CG2 3.83Å; L23-F165 HydrophobicContact CB-CE2 4.3Å; L23-F165 HydrophobicContact CB-CZ 4.46Å
24	M	98.5	Very high	97.2	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-57.6	-51.8	175.9	-175.9	-179.5	67	0	0	111.1	L12 K20 S21 R26 Y27 V28 L45 I60 D62	L12-M24 HydrophobicContact CD1-CB 3.84Å; K20-M24 PolarHBondContact O-N 3.11Å; S21-M24 PolarHBondContact O-N 3.45Å; M24-R26 PolarHBondContact O-N 3.15Å; M24-Y27 PolarHBondContact O-N 3.27Å; M24-V28 HydrophobicContact CG-CG2 4.39Å; M24-V28 WeakPolarHBondContact O-CB 3.39Å; M24-V28 WeakPolarHBondContact O-CG2 3.36Å; M24-V28 PolarHBondContact O-N 3.07Å; M24-L45 HydrophobicContact CE-CD1 4.02Å; M24-L45 HydrophobicContact CE-CG 4.18Å; M24-L45 HydrophobicContact CG-CD1 4.15Å; M24-L45 HydrophobicContact SD-CB 4.31Å; M24-L45 HydrophobicContact SD-CD1 4.23Å; M24-L45 HydrophobicContact SD-CG 4.16Å; M24-I60 HydrophobicContact CB-CG2 4.34Å; M24-I60 HydrophobicContact CG-CB 4.26Å; M24-I60 HydrophobicContact CG-CG2 3.82Å; M24-I60 HydrophobicContact SD-CB 4.38Å; M24-I60 HydrophobicContact SD-CG2 4.07Å; M24-D62 HydrophobicContact CE-CB 3.64Å; M24-D62 HydrophobicContact SD-CB 3.69Å
25	N	97.9	Very high	96.6	Very high	40 Å²	40	47.8 Å²	47.8	21%	0.214	27%	0.265	C	S	.	.	H	α-helix	trans	-63.8	-40.6	-179.3	-75	-31.8	0	0	0	112.1	S21 T29 N30 K31	S21-N25 WeakPolarHBondContact O-CB 3.4Å; S21-N25 VanDerWaalsContact O-CG 3.31Å; S21-N25 PolarHBondContact O-N 3.43Å; S21-N25 PolarHBondContact O-ND2 2.95Å; N25-T29 WeakPolarHBondContact O-CA 3.48Å; N25-T29 WeakPolarHBondContact O-CB 3.13Å; N25-T29 PolarHBondContact O-N 3.09Å; N25-T29 PolarHBondContact O-OG1 3.44Å; N25-N30 PolarHBondContact O-N 3.42Å; N25-K31 CarbonylContact C-O 3.56Å
26	R	98.4	Very high	95.9	Very high	37 Å²	37	49.9 Å²	49.9	14%	0.14	28%	0.276	C	S	.	.	H	α-helix	trans	-60.9	-46.2	174.7	173.3	55.9	75	-171.3	5.9	110.8	S22 L23 M24 N30 K31 A155 K156 S158 V161	S22-R26 WeakPolarHBondContact O-CB 3.21Å; S22-R26 PolarHBondContact O-N 2.82Å; L23-R26 PolarHBondContact O-N 3.25Å; M24-R26 PolarHBondContact O-N 3.15Å; R26-N30 PolarHBondContact NH1-O 3.28Å; R26-N30 PolarHBondContact NH1-OD1 2.87Å; R26-N30 WeakPolarHBondContact O-CA 3.32Å; R26-N30 PolarHBondContact O-N 3.42Å; R26-K31 WeakPolarHBondContact CA-O 3.4Å; R26-K31 PolarHBondContact N-O 2.74Å; R26-A155 HydrophobicContact CB-CB 4.46Å; R26-A155 PolarHBondContact NE-O 3.11Å; R26-K156 PolarHBondContact NH2-O 3.35Å; R26-S158 VanDerWaalsContact CD-OG 3.24Å; R26-S158 WeakPolarHBondContact CD-OG 3.5Å; R26-S158 PolarHBondContact NE-OG 3.29Å; R26-V161 HydrophobicContact CB-CG1 4.48Å; R26-V161 HydrophobicContact CG-CB 4.33Å; R26-V161 HydrophobicContact CG-CG1 4.05Å; R26-V161 HydrophobicContact CG-CG2 4.08Å
27	Y	98.7	Very high	95.5	Very high	18 Å²	18	58.4 Å²	58.4	7%	0.071	31%	0.309	C	S	.	.	H	α-helix	trans	-70.9	-43.9	-176.6	-175.8	-120.5	0	0	0	113.4	L23 M24 K47 L49 M58 I60 V161 A162 F165	L23-Y27 WeakPolarHBondContact O-CB 3.47Å; L23-Y27 PolarHBondContact O-N 3.26Å; M24-Y27 PolarHBondContact O-N 3.27Å; Y27-K47 HydrophobicContact CD1-CD 3.75Å; Y27-K47 HydrophobicContact CE1-CD 3.25Å; Y27-K47 HydrophobicContact CE2-CD 4.24Å; Y27-K47 HydrophobicContact CG-CD 4.45Å; Y27-K47 PolarHBondContact O-NZ 3.33Å; Y27-L49 VanDerWaalsContact OH-CD1 3.26Å; Y27-L49 WeakPolarHBondContact OH-CD1 3.47Å; Y27-M58 HydrophobicContact CD1-SD 4.49Å; Y27-M58 HydrophobicContact CE1-CE 4.29Å; Y27-M58 HydrophobicContact CE1-SD 3.73Å; Y27-I60 HydrophobicContact CD1-CD1 3.62Å; Y27-I60 HydrophobicContact CE1-CD1 4.07Å; Y27-V161 HydrophobicContact CD2-CG1 4.27Å; Y27-V161 HydrophobicContact CG-CG1 4.41Å; Y27-A162 HydrophobicContact CD2-CB 4.37Å; Y27-A162 HydrophobicContact CE2-CB 4.03Å; Y27-F165 HydrophobicContact CD1-CB 3.8Å; Y27-F165 AromaticContact CD1-CD1 3.88Å; Y27-F165 HydrophobicContact CD1-CD1 3.88Å; Y27-F165 AromaticContact CD1-CD2 3.68Å; Y27-F165 HydrophobicContact CD1-CD2 3.68Å; Y27-F165 HydrophobicContact CD1-CE1 4.37Å; Y27-F165 HydrophobicContact CD1-CE2 4.21Å; Y27-F165 AromaticContact CD1-CG 3.5Å; Y27-F165 HydrophobicContact CD1-CG 3.5Å; Y27-F165 HydrophobicContact CD2-CB 4.13Å; Y27-F165 AromaticContact CD2-CD2 3.9Å; Y27-F165 HydrophobicContact CD2-CD2 3.9Å; Y27-F165 HydrophobicContact CD2-CG 4.23Å; Y27-F165 HydrophobicContact CE1-CB 3.45Å; Y27-F165 VanDerWaalsContact CE1-CB 3.45Å; Y27-F165 HydrophobicContact CE1-CD1 4.1Å; Y27-F165 HydrophobicContact CE1-CD2 4.26Å; Y27-F165 AromaticContact CE1-CG 3.7Å; Y27-F165 HydrophobicContact CE1-CG 3.7Å; Y27-F165 HydrophobicContact CE2-CB 3.84Å; Y27-F165 HydrophobicContact CE2-CD2 4.47Å; Y27-F165 HydrophobicContact CE2-CG 4.41Å; Y27-F165 HydrophobicContact CG-CB 4.1Å; Y27-F165 HydrophobicContact CG-CD1 4.49Å; Y27-F165 AromaticContact CG-CD2 3.45Å; Y27-F165 HydrophobicContact CG-CD2 3.45Å; Y27-F165 VanDerWaalsContact CG-CD2 3.45Å; Y27-F165 AromaticContact CG-CE2 3.96Å; Y27-F165 HydrophobicContact CG-CE2 3.96Å; Y27-F165 AromaticContact CG-CG 3.77Å; Y27-F165 HydrophobicContact CG-CG 3.77Å; Y27-F165 VanDerWaalsContact CZ-CB 3.46Å
28	V	98.2	Very high	95.3	Very high	34 Å²	34	61.8 Å²	61.8	21%	0.206	31%	0.314	C	S	.	.	H	α-helix	trans	-80.2	-44.7	-175.3	-179.5	0	0	0	0	111.4	M24 L45 K47 I60	M24-V28 HydrophobicContact CG-CG2 4.39Å; M24-V28 WeakPolarHBondContact O-CB 3.39Å; M24-V28 WeakPolarHBondContact O-CG2 3.36Å; M24-V28 PolarHBondContact O-N 3.07Å; V28-L45 HydrophobicContact CB-CB 4.46Å; V28-L45 HydrophobicContact CB-CD1 4.01Å; V28-L45 HydrophobicContact CG1-CB 4.1Å; V28-L45 HydrophobicContact CG1-CD1 4.01Å; V28-L45 HydrophobicContact CG2-CB 4.03Å; V28-L45 HydrophobicContact CG2-CD1 4.21Å; V28-K47 HydrophobicContact CG2-CB 4.46Å; V28-I60 HydrophobicContact CG2-CD1 3.72Å
29	T	96.5	Very high	94.9	Very high	63 Å²	63	63 Å²	63	39%	0.387	32%	0.322	S	S	.	.	H	α-helix	trans	-112.2	-4.7	-169.4	73.7	0	0	0	0	114.1	N25 K31	N25-T29 WeakPolarHBondContact O-CA 3.48Å; N25-T29 WeakPolarHBondContact O-CB 3.13Å; N25-T29 PolarHBondContact O-N 3.09Å; N25-T29 PolarHBondContact O-OG1 3.44Å; T29-K31 PolarHBondContact O-N 3.06Å; T29-K31 WeakPolarHBondContact OG1-CB 3.29Å; T29-K31 PolarHBondContact OG1-N 2.95Å
30	N	97.2	Very high	94.3	Very high	110 Å²	110	67.6 Å²	67.6	59%	0.588	34%	0.343	S	S	*	.	S	Bend	trans	53.4	31.6	-171.7	-161.8	25.1	0	0	0	113.8	N25 R26	N25-N30 PolarHBondContact O-N 3.42Å; R26-N30 PolarHBondContact NH1-O 3.28Å; R26-N30 PolarHBondContact NH1-OD1 2.87Å; R26-N30 WeakPolarHBondContact O-CA 3.32Å; R26-N30 PolarHBondContact O-N 3.42Å
31	K	96.4	Very high	93.9	Very high	148 Å²	148	68.5 Å²	68.5	64%	0.643	35%	0.354	S	S	*	.			trans	-113.8	146	176.6	-64.9	177.6	-178.6	178.2	0	110.6	N25 R26 T29	N25-K31 CarbonylContact C-O 3.56Å; R26-K31 WeakPolarHBondContact CA-O 3.4Å; R26-K31 PolarHBondContact N-O 2.74Å; T29-K31 PolarHBondContact O-N 3.06Å; T29-K31 WeakPolarHBondContact OG1-CB 3.29Å; T29-K31 PolarHBondContact OG1-N 2.95Å
32	F	97	Very high	93.7	Very high	79 Å²	79	69 Å²	69	35%	0.346	36%	0.356	S	S	.	.			trans	-130.9	132.2	170.7	174.6	-94.7	0	0	0	108.6	A155 K156	F32-A155 HydrophobicContact CD2-CB 4.09Å; F32-A155 WeakPolarHBondContact CD2-O 3.36Å; F32-A155 HydrophobicContact CE2-CB 4.23Å; F32-K156 HydrophobicContact CD1-CG 4.26Å; F32-K156 HydrophobicContact CD2-CB 4.34Å; F32-K156 HydrophobicContact CE1-CB 4.16Å; F32-K156 HydrophobicContact CE1-CG 3.87Å; F32-K156 HydrophobicContact CE2-CB 3.97Å; F32-K156 HydrophobicContact CZ-CB 3.87Å; F32-K156 HydrophobicContact CZ-CG 4.04Å
33	D	93.4	Very high	93.6	Very high	80 Å²	80	74.1 Å²	74.1	43%	0.428	38%	0.378	S	S	.	.			trans	-123.4	122.7	175.6	178.8	3.1	0	0	0	108.3	Q35 L36	D33-Q35 PolarHBondContact O-N 2.73Å; D33-Q35 PolarHBondContact OD1-N 3.1Å; D33-L36 HydrophobicContact CB-CD1 4.37Å; D33-L36 HydrophobicContact CB-CD2 4.1Å; D33-L36 HydrophobicContact CB-CG 3.87Å; D33-L36 WeakPolarHBondContact O-CG 3.33Å
34	S	87.7	Confident	93.6	Very high	100 Å²	100	78.9 Å²	78.9	70%	0.699	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-10.2	-179.5	55.7	0	0	0	0	113.2
35	Q	86.1	Confident	93.5	Very high	155 Å²	155	81.6 Å²	81.6	72%	0.724	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	21.1	-176.1	-58.5	-175.6	5.2	0	0	112.8	D33 F37	D33-Q35 PolarHBondContact O-N 2.73Å; D33-Q35 PolarHBondContact OD1-N 3.1Å; Q35-F37 PolarHBondContact O-N 3.07Å
36	L	84.5	Confident	93.5	Very high	70 Å²	70	83.6 Å²	83.6	37%	0.366	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-62.9	125.2	176.7	-70.8	173	0	0	0	111.4	D33	D33-L36 HydrophobicContact CB-CD1 4.37Å; D33-L36 HydrophobicContact CB-CD2 4.1Å; D33-L36 HydrophobicContact CB-CG 3.87Å; D33-L36 WeakPolarHBondContact O-CG 3.33Å
37	F	88.7	Confident	93.5	Very high	193 Å²	193	84.7 Å²	84.7	85%	0.846	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-72.4	161.2	171.6	-65.1	-80.5	0	0	0	111.3	Q35 T39	Q35-F37 PolarHBondContact O-N 3.07Å; F37-T39 PolarHBondContact O-N 2.71Å
38	H	91.3	Very high	93.4	Very high	111 Å²	111	89.8 Å²	89.8	51%	0.514	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-62.5	132.1	174	-65.2	-61.9	0	0	0	111.6	I40	H38-I40 PolarHBondContact O-N 3.23Å
39	T	89.7	Confident	93.3	Very high	25 Å²	25	89.2 Å²	89.2	15%	0.153	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-59.8	125.5	170.1	-43.1	0	0	0	0	110.2	S21 F37 G41 D62 A64	S21-T39 PolarHBondContact OG-OG1 3.45Å; F37-T39 PolarHBondContact O-N 2.71Å; T39-G41 WeakPolarHBondContact CG2-O 3.31Å; T39-D62 PolarHBondContact OG1-OD2 3.49Å; T39-A64 WeakPolarHBondContact O-CA 3.27Å; T39-A64 WeakPolarHBondContact O-CB 3.27Å
40	I	85.9	Confident	93.3	Very high	107 Å²	107	91.5 Å²	91.5	55%	0.549	46%	0.46	S	S	.	.	S	Bend	trans	-96.4	-25.6	177.8	-67.2	176.9	0	0	0	111.2	H38 F69 L72	H38-I40 PolarHBondContact O-N 3.23Å; I40-F69 HydrophobicContact CB-CE2 4.25Å; I40-F69 HydrophobicContact CB-CZ 4.26Å; I40-F69 HydrophobicContact CD1-CZ 4.42Å; I40-F69 HydrophobicContact CG1-CE2 3.84Å; I40-F69 HydrophobicContact CG1-CZ 3.84Å; I40-F69 HydrophobicContact CG2-CD1 4.09Å; I40-F69 HydrophobicContact CG2-CE1 3.76Å; I40-F69 HydrophobicContact CG2-CE2 4.28Å; I40-F69 HydrophobicContact CG2-CG 4.5Å; I40-F69 HydrophobicContact CG2-CZ 3.87Å; I40-L72 HydrophobicContact CG2-CD1 4.48Å; I40-L72 VanDerWaalsContact O-CD1 3.31Å; I40-L72 WeakPolarHBondContact O-CD1 3.32Å
41	G	89.9	Confident	93.2	Very high	27 Å²	27	86.4 Å²	86.4	28%	0.278	43%	0.433	S	S	.	.	S	Bend	trans	-124.6	-132.3	-179	0	0	0	0	0	112.9	T39 A64	T39-G41 WeakPolarHBondContact CG2-O 3.31Å; G41-A64 PolarHBondContact O-N 2.82Å
42	V	95.1	Very high	93.1	Very high	31 Å²	31	84.6 Å²	84.6	19%	0.188	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	132.9	179.4	178.7	0	0	0	0	108.4	W61 D62 T63 R73 F76	V42-W61 HydrophobicContact CG1-CE3 3.42Å; V42-W61 VanDerWaalsContact CG1-CE3 3.42Å; V42-W61 HydrophobicContact CG1-CZ3 3.92Å; V42-D62 VanDerWaalsContact CA-O 3.3Å; V42-D62 WeakPolarHBondContact CA-O 3.34Å; V42-D62 WeakPolarHBondContact CG1-O 3.46Å; V42-T63 HydrophobicContact CG1-CG2 4.42Å; V42-T63 HydrophobicContact CG2-CG2 4.24Å; V42-R73 HydrophobicContact CG2-CB 4.1Å; V42-F76 HydrophobicContact CB-CD2 3.95Å; V42-F76 HydrophobicContact CB-CE2 4.08Å; V42-F76 HydrophobicContact CB-CG 4.34Å; V42-F76 HydrophobicContact CG1-CB 4.27Å; V42-F76 HydrophobicContact CG1-CD1 4.4Å; V42-F76 HydrophobicContact CG1-CD2 4.12Å; V42-F76 HydrophobicContact CG1-CG 4Å; V42-F76 HydrophobicContact CG2-CD2 3.57Å; V42-F76 HydrophobicContact CG2-CE2 3.98Å; V42-F76 HydrophobicContact CG2-CG 4.22Å
43	E	96.2	Very high	92.9	Very high	127 Å²	127	83.2 Å²	83.2	59%	0.593	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.8	153.1	174.5	-66.4	-172.7	168.1	0	0	108.8	W61 D62	E43-W61 CarbonylContact O-C 3.49Å; E43-W61 WeakPolarHBondContact O-CA 3.35Å; E43-D62 PolarHBondContact N-O 2.79Å; E43-D62 PolarHBondContact O-N 2.96Å
44	F	97.4	Very high	92.9	Very high	101 Å²	101	83.6 Å²	83.6	44%	0.443	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	150.5	173.4	76.5	-90.2	0	0	0	112.3	Q59 I60 W61	F44-Q59 HydrophobicContact CB-CG 4.44Å; F44-Q59 HydrophobicContact CD2-CG 3.86Å; F44-Q59 HydrophobicContact CG-CG 4.41Å; F44-I60 CarbonylContact C-O 3.56Å; F44-I60 WeakPolarHBondContact CA-O 3.34Å; F44-I60 WeakPolarHBondContact CB-O 3.1Å; F44-W61 HydrophobicContact CB-CD2 3.81Å; F44-W61 HydrophobicContact CB-CE3 4.02Å; F44-W61 HydrophobicContact CB-CG 4.07Å; F44-W61 HydrophobicContact CB-CZ3 4.45Å; F44-W61 HydrophobicContact CD1-CE3 4.4Å; F44-W61 AromaticContact CD1-CH2 3.87Å; F44-W61 HydrophobicContact CD1-CH2 3.87Å; F44-W61 HydrophobicContact CD1-CZ2 4.17Å; F44-W61 AromaticContact CD1-CZ3 3.98Å; F44-W61 HydrophobicContact CD1-CZ3 3.98Å; F44-W61 HydrophobicContact CE1-CH2 4.38Å; F44-W61 HydrophobicContact CG-CD2 4.47Å; F44-W61 HydrophobicContact CG-CH2 4.42Å; F44-W61 HydrophobicContact CG-CZ2 4.31Å
45	L	98.2	Very high	93.3	Very high	57 Å²	57	85.2 Å²	85.2	30%	0.298	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	145	172.7	-66	178.4	0	0	0	109.9	M24 V28 I60	M24-L45 HydrophobicContact CE-CD1 4.02Å; M24-L45 HydrophobicContact CE-CG 4.18Å; M24-L45 HydrophobicContact CG-CD1 4.15Å; M24-L45 HydrophobicContact SD-CB 4.31Å; M24-L45 HydrophobicContact SD-CD1 4.23Å; M24-L45 HydrophobicContact SD-CG 4.16Å; V28-L45 HydrophobicContact CB-CB 4.46Å; V28-L45 HydrophobicContact CB-CD1 4.01Å; V28-L45 HydrophobicContact CG1-CB 4.1Å; V28-L45 HydrophobicContact CG1-CD1 4.01Å; V28-L45 HydrophobicContact CG2-CB 4.03Å; V28-L45 HydrophobicContact CG2-CD1 4.21Å; L45-I60 PolarHBondContact N-O 3Å; L45-I60 PolarHBondContact O-N 3.26Å
46	N	98	Very high	93.8	Very high	82 Å²	82	78 Å²	78	44%	0.439	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	146.5	173.1	-67.2	-28.3	0	0	0	110.6	T57 M58 Q59	N46-T57 HydrophobicContact CB-CG2 4.19Å; N46-M58 CarbonylContact C-O 3.55Å; N46-M58 VanDerWaalsContact CA-O 3.27Å; N46-M58 WeakPolarHBondContact CA-O 3.16Å; N46-Q59 WeakPolarHBondContact OD1-CB 3.43Å; N46-Q59 VanDerWaalsContact OD1-CG 3.27Å; N46-Q59 WeakPolarHBondContact OD1-CG 3.31Å; N46-Q59 PolarHBondContact OD1-NE2 3.4Å
47	K	97.6	Very high	94.5	Very high	61 Å²	61	76 Å²	76	27%	0.265	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	121.4	169.6	-170.1	-169.3	-178.8	78.9	0	109.5	Y27 V28 L49 M58	Y27-K47 HydrophobicContact CD1-CD 3.75Å; Y27-K47 HydrophobicContact CE1-CD 3.25Å; Y27-K47 HydrophobicContact CE2-CD 4.24Å; Y27-K47 HydrophobicContact CG-CD 4.45Å; Y27-K47 PolarHBondContact O-NZ 3.33Å; V28-K47 HydrophobicContact CG2-CB 4.46Å; K47-L49 WeakPolarHBondContact O-CD2 3.38Å; K47-M58 PolarHBondContact N-O 3.15Å; K47-M58 PolarHBondContact O-N 3.17Å
48	D	97.3	Very high	94.9	Very high	124 Å²	124	66.9 Å²	66.9	66%	0.663	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	135.8	170	-62	-28.1	0	0	0	109.5	V56 T57	D48-V56 WeakPolarHBondContact CA-O 3.41Å; D48-T57 WeakPolarHBondContact OD1-CB 3.3Å; D48-T57 WeakPolarHBondContact OD1-CG2 3.49Å; D48-T57 PolarHBondContact OD1-OG1 3.34Å
49	L	96.2	Very high	95.3	Very high	23 Å²	23	63 Å²	63	12%	0.12	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	163.6	-179.6	72.5	167	0	0	0	112	Y27 K47 V51 V56 M58 E166 V169	Y27-L49 VanDerWaalsContact OH-CD1 3.26Å; Y27-L49 WeakPolarHBondContact OH-CD1 3.47Å; K47-L49 WeakPolarHBondContact O-CD2 3.38Å; L49-V51 HydrophobicContact CD1-CG2 3.5Å; L49-V51 VanDerWaalsContact CD1-CG2 3.5Å; L49-V51 HydrophobicContact CG-CG2 4.01Å; L49-V56 HydrophobicContact CD2-CG2 3.49Å; L49-V56 VanDerWaalsContact CD2-CG2 3.49Å; L49-V56 HydrophobicContact CG-CG2 4.01Å; L49-V56 PolarHBondContact N-O 3.2Å; L49-V56 PolarHBondContact O-N 2.96Å; L49-M58 HydrophobicContact CD1-CE 4.03Å; L49-M58 HydrophobicContact CD2-CB 3.75Å; L49-M58 HydrophobicContact CD2-CE 4.23Å; L49-E166 HydrophobicContact CD1-CG 4.12Å; L49-V169 HydrophobicContact CD1-CG2 4.24Å
50	E	95.9	Very high	95.7	Very high	111 Å²	111	61.8 Å²	61.8	52%	0.519	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.7	169.6	-173.1	-177.6	171.5	0	0	108.6	G53 H54 F55	E50-G53 WeakPolarHBondContact OE1-CA 3.46Å; E50-H54 VanDerWaalsContact CA-O 3.31Å; E50-H54 WeakPolarHBondContact CA-O 3.27Å; E50-F55 HydrophobicContact CB-CD1 3.95Å; E50-F55 HydrophobicContact CB-CE1 3.82Å; E50-F55 HydrophobicContact CB-CZ 4.36Å; E50-F55 HydrophobicContact CG-CD1 4.17Å; E50-F55 HydrophobicContact CG-CD2 4.48Å; E50-F55 HydrophobicContact CG-CE1 3.91Å; E50-F55 HydrophobicContact CG-CE2 4.23Å; E50-F55 HydrophobicContact CG-CG 4.45Å; E50-F55 HydrophobicContact CG-CZ 3.94Å; E50-F55 VanDerWaalsContact OE2-CE1 3.29Å; E50-F55 WeakPolarHBondContact OE2-CE1 3.32Å; E50-F55 WeakPolarHBondContact OE2-CZ 3.43Å
51	V	95.6	Very high	96.3	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.012	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	120.1	174.6	-179.8	0	0	0	0	108.2	L49 G53 H54 E166 V169 R170	L49-V51 HydrophobicContact CD1-CG2 3.5Å; L49-V51 VanDerWaalsContact CD1-CG2 3.5Å; L49-V51 HydrophobicContact CG-CG2 4.01Å; V51-G53 PolarHBondContact O-N 3.01Å; V51-G53 VanDerWaalsContact O-N 3.13Å; V51-H54 PolarHBondContact N-O 3.32Å; V51-H54 WeakPolarHBondContact O-CB 3.48Å; V51-H54 PolarHBondContact O-N 3Å; V51-H54 PolarHBondContact O-ND1 3.42Å; V51-E166 HydrophobicContact CG2-CB 4.18Å; V51-E166 HydrophobicContact CG2-CG 3.99Å; V51-V169 HydrophobicContact CB-CB 4.28Å; V51-V169 HydrophobicContact CB-CG1 3.86Å; V51-V169 HydrophobicContact CG1-CB 4.37Å; V51-V169 HydrophobicContact CG1-CG1 4.27Å; V51-V169 HydrophobicContact CG2-CB 4Å; V51-V169 HydrophobicContact CG2-CG1 3.94Å; V51-V169 HydrophobicContact CG2-CG2 4.2Å; V51-R170 HydrophobicContact CG1-CG 3.61Å
52	D	94.4	Very high	96.7	Very high	110 Å²	110	56.9 Å²	56.9	59%	0.588	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	40.6	178.1	-52.4	-25.4	0	0	0	113	H54 R170	D52-H54 VanDerWaalsContact C-N 3.35Å; D52-H54 PolarHBondContact O-ND1 3.49Å; D52-H54 VanDerWaalsContact O-ND1 3.08Å; D52-R170 IonicContact OD1-NE 3.19Å; D52-R170 WeakPolarHBondContact OD2-CD 3.35Å; D52-R170 WeakPolarHBondContact OD2-CG 3.49Å; D52-R170 IonicContact OD2-NE 2.77Å; D52-R170 PolarHBondContact OD2-NE 3.28Å
53	G	92.7	Very high	96.8	Very high	51 Å²	51	55.4 Å²	55.4	53%	0.526	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	84	-2.2	-178.4	0	0	0	0	0	115.7	E50 V51	E50-G53 WeakPolarHBondContact OE1-CA 3.46Å; V51-G53 PolarHBondContact O-N 3.01Å; V51-G53 VanDerWaalsContact O-N 3.13Å
54	H	93	Very high	96.8	Very high	87 Å²	87	49.4 Å²	49.4	40%	0.403	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	118.4	-179.7	-58.7	82.2	0	0	0	110.9	E50 V51 D52 V56 L173	E50-H54 VanDerWaalsContact CA-O 3.31Å; E50-H54 WeakPolarHBondContact CA-O 3.27Å; V51-H54 PolarHBondContact N-O 3.32Å; V51-H54 WeakPolarHBondContact O-CB 3.48Å; V51-H54 PolarHBondContact O-N 3Å; V51-H54 PolarHBondContact O-ND1 3.42Å; D52-H54 VanDerWaalsContact C-N 3.35Å; D52-H54 PolarHBondContact O-ND1 3.49Å; D52-H54 VanDerWaalsContact O-ND1 3.08Å; H54-V56 HydrophobicContact CB-CG1 4.4Å; H54-L173 HydrophobicContact CB-CD1 3.88Å; H54-L173 HydrophobicContact CB-CD2 4.37Å
55	F	95.7	Very high	96.8	Very high	134 Å²	134	44.9 Å²	44.9	59%	0.588	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	113.8	175.1	-67.7	-85.8	0	0	0	111.2	S5 E50	S5-F55 PolarHBondContact OG-O 3.25Å; S5-F55 VanDerWaalsContact OG-O 3.06Å; E50-F55 HydrophobicContact CB-CD1 3.95Å; E50-F55 HydrophobicContact CB-CE1 3.82Å; E50-F55 HydrophobicContact CB-CZ 4.36Å; E50-F55 HydrophobicContact CG-CD1 4.17Å; E50-F55 HydrophobicContact CG-CD2 4.48Å; E50-F55 HydrophobicContact CG-CE1 3.91Å; E50-F55 HydrophobicContact CG-CE2 4.23Å; E50-F55 HydrophobicContact CG-CG 4.45Å; E50-F55 HydrophobicContact CG-CZ 3.94Å; E50-F55 VanDerWaalsContact OE2-CE1 3.29Å; E50-F55 WeakPolarHBondContact OE2-CE1 3.32Å; E50-F55 WeakPolarHBondContact OE2-CZ 3.43Å
56	V	96.7	Very high	96.6	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.024	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	153.3	-175.7	-52.3	0	0	0	0	111.2	S5 S6 F8 D48 L49 H54 V169	S5-V56 WeakPolarHBondContact OG-CA 3.41Å; S6-V56 WeakPolarHBondContact O-CA 3.39Å; F8-V56 HydrophobicContact CD2-CB 4.11Å; F8-V56 HydrophobicContact CD2-CG1 4.06Å; F8-V56 HydrophobicContact CD2-CG2 4.21Å; F8-V56 HydrophobicContact CE2-CB 4.24Å; F8-V56 HydrophobicContact CE2-CG1 3.67Å; F8-V56 HydrophobicContact CZ-CG1 4.26Å; D48-V56 WeakPolarHBondContact CA-O 3.41Å; L49-V56 HydrophobicContact CD2-CG2 3.49Å; L49-V56 VanDerWaalsContact CD2-CG2 3.49Å; L49-V56 HydrophobicContact CG-CG2 4.01Å; L49-V56 PolarHBondContact N-O 3.2Å; L49-V56 PolarHBondContact O-N 2.96Å; H54-V56 HydrophobicContact CB-CG1 4.4Å; V56-V169 HydrophobicContact CG1-CG1 4.44Å; V56-V169 HydrophobicContact CG2-CG1 3.89Å; V56-V169 HydrophobicContact CG2-CG2 4.26Å
57	T	98.1	Very high	96.4	Very high	29 Å²	29	46.6 Å²	46.6	18%	0.178	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	114.8	163.4	-61	0	0	0	0	107.8	S5 S6 L7 F8 N46 D48	S5-T57 PolarHBondContact OG-N 3.05Å; S6-T57 PolarHBondContact O-N 2.94Å; L7-T57 WeakPolarHBondContact CA-O 3.48Å; L7-T57 HydrophobicContact CD1-CG2 3.72Å; F8-T57 PolarHBondContact N-O 3.15Å; N46-T57 HydrophobicContact CB-CG2 4.19Å; D48-T57 WeakPolarHBondContact OD1-CB 3.3Å; D48-T57 WeakPolarHBondContact OD1-CG2 3.49Å; D48-T57 PolarHBondContact OD1-OG1 3.34Å
58	M	98.4	Very high	96.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	121.6	172.6	-174	-172.5	-70.6	0	0	109.6	I10 Y27 N46 K47 L49 I60 F165 V169	I10-M58 HydrophobicContact CD1-CE 3.6Å; I10-M58 HydrophobicContact CD1-CG 3.46Å; I10-M58 VanDerWaalsContact CD1-CG 3.46Å; I10-M58 HydrophobicContact CD1-SD 3.58Å; I10-M58 VanDerWaalsContact CD1-SD 3.58Å; I10-M58 HydrophobicContact CG1-CG 3.97Å; Y27-M58 HydrophobicContact CD1-SD 4.49Å; Y27-M58 HydrophobicContact CE1-CE 4.29Å; Y27-M58 HydrophobicContact CE1-SD 3.73Å; N46-M58 CarbonylContact C-O 3.55Å; N46-M58 VanDerWaalsContact CA-O 3.27Å; N46-M58 WeakPolarHBondContact CA-O 3.16Å; K47-M58 PolarHBondContact N-O 3.15Å; K47-M58 PolarHBondContact O-N 3.17Å; L49-M58 HydrophobicContact CD1-CE 4.03Å; L49-M58 HydrophobicContact CD2-CB 3.75Å; L49-M58 HydrophobicContact CD2-CE 4.23Å; M58-I60 HydrophobicContact CG-CD1 4.29Å; M58-I60 HydrophobicContact CG-CG1 3.69Å; M58-I60 HydrophobicContact SD-CD1 3.66Å; M58-I60 HydrophobicContact SD-CG1 3.6Å; M58-F165 HydrophobicContact CE-CB 4.17Å; M58-F165 WeakPolarHBondContact CE-O 3.34Å; M58-F165 HydrophobicContact SD-CB 4.24Å; M58-F165 HydrophobicContact SD-CD1 3.83Å; M58-F165 HydrophobicContact SD-CG 4.46Å; M58-V169 HydrophobicContact CE-CG2 3.19Å
59	Q	98.6	Very high	96.1	Very high	30 Å²	30	50.4 Å²	50.4	14%	0.14	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	106.5	171.6	-177.5	173.6	92.1	0	0	109.5	L7 F8 I10 F44 N46	L7-Q59 HydrophobicContact CD1-CB 3.94Å; F8-Q59 PolarHBondContact O-N 3.01Å; I10-Q59 PolarHBondContact N-O 3.29Å; F44-Q59 HydrophobicContact CB-CG 4.44Å; F44-Q59 HydrophobicContact CD2-CG 3.86Å; F44-Q59 HydrophobicContact CG-CG 4.41Å; N46-Q59 WeakPolarHBondContact OD1-CB 3.43Å; N46-Q59 VanDerWaalsContact OD1-CG 3.27Å; N46-Q59 WeakPolarHBondContact OD1-CG 3.31Å; N46-Q59 PolarHBondContact OD1-NE2 3.4Å
60	I	98.8	Very high	96.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	119.9	-174.7	-53.4	166.1	0	0	0	108.6	I10 L12 M24 Y27 V28 F44 L45 M58 F165	I10-I60 CarbonylContact O-C 3.58Å; I10-I60 WeakPolarHBondContact O-CA 3.14Å; L12-I60 HydrophobicContact CD1-CG2 3.71Å; L12-I60 HydrophobicContact CG-CG2 4.19Å; M24-I60 HydrophobicContact CB-CG2 4.34Å; M24-I60 HydrophobicContact CG-CB 4.26Å; M24-I60 HydrophobicContact CG-CG2 3.82Å; M24-I60 HydrophobicContact SD-CB 4.38Å; M24-I60 HydrophobicContact SD-CG2 4.07Å; Y27-I60 HydrophobicContact CD1-CD1 3.62Å; Y27-I60 HydrophobicContact CE1-CD1 4.07Å; V28-I60 HydrophobicContact CG2-CD1 3.72Å; F44-I60 CarbonylContact C-O 3.56Å; F44-I60 WeakPolarHBondContact CA-O 3.34Å; F44-I60 WeakPolarHBondContact CB-O 3.1Å; L45-I60 PolarHBondContact N-O 3Å; L45-I60 PolarHBondContact O-N 3.26Å; M58-I60 HydrophobicContact CG-CD1 4.29Å; M58-I60 HydrophobicContact CG-CG1 3.69Å; M58-I60 HydrophobicContact SD-CD1 3.66Å; M58-I60 HydrophobicContact SD-CG1 3.6Å; I60-F165 HydrophobicContact CD1-CD1 3.88Å; I60-F165 HydrophobicContact CD1-CE1 3.7Å; I60-F165 HydrophobicContact CD1-CZ 4.44Å; I60-F165 HydrophobicContact CG1-CD1 4.33Å; I60-F165 HydrophobicContact CG1-CE1 4.1Å; I60-F165 HydrophobicContact CG2-CE1 3.8Å; I60-F165 HydrophobicContact CG2-CZ 4.43Å
61	W	98.6	Very high	96.1	Very high	31 Å²	31	52.6 Å²	52.6	12%	0.117	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	111	177.9	-68.7	76.4	0	0	0	109.8	I10 I11 L12 V42 E43 F44 F76	I10-W61 PolarHBondContact O-N 2.8Å; I11-W61 HydrophobicContact CB-CB 4.37Å; I11-W61 HydrophobicContact CG1-CB 4.08Å; L12-W61 PolarHBondContact N-O 3.22Å; V42-W61 HydrophobicContact CG1-CE3 3.42Å; V42-W61 VanDerWaalsContact CG1-CE3 3.42Å; V42-W61 HydrophobicContact CG1-CZ3 3.92Å; E43-W61 CarbonylContact O-C 3.49Å; E43-W61 WeakPolarHBondContact O-CA 3.35Å; F44-W61 HydrophobicContact CB-CD2 3.81Å; F44-W61 HydrophobicContact CB-CE3 4.02Å; F44-W61 HydrophobicContact CB-CG 4.07Å; F44-W61 HydrophobicContact CB-CZ3 4.45Å; F44-W61 HydrophobicContact CD1-CE3 4.4Å; F44-W61 AromaticContact CD1-CH2 3.87Å; F44-W61 HydrophobicContact CD1-CH2 3.87Å; F44-W61 HydrophobicContact CD1-CZ2 4.17Å; F44-W61 AromaticContact CD1-CZ3 3.98Å; F44-W61 HydrophobicContact CD1-CZ3 3.98Å; F44-W61 HydrophobicContact CE1-CH2 4.38Å; F44-W61 HydrophobicContact CG-CD2 4.47Å; F44-W61 HydrophobicContact CG-CH2 4.42Å; F44-W61 HydrophobicContact CG-CZ2 4.31Å; W61-F76 HydrophobicContact CE3-CB 4.22Å; W61-F76 AromaticContact CE3-CD1 3.87Å; W61-F76 HydrophobicContact CE3-CD1 3.87Å; W61-F76 HydrophobicContact CE3-CG 4.27Å; W61-F76 AromaticContact CH2-CD1 3.77Å; W61-F76 HydrophobicContact CH2-CD1 3.77Å; W61-F76 HydrophobicContact CH2-CE1 4.13Å; W61-F76 HydrophobicContact CZ3-CB 4.37Å; W61-F76 AromaticContact CZ3-CD1 3.18Å; W61-F76 HydrophobicContact CZ3-CD1 3.18Å; W61-F76 AromaticContact CZ3-CE1 3.63Å; W61-F76 HydrophobicContact CZ3-CE1 3.63Å; W61-F76 HydrophobicContact CZ3-CG 4Å
62	D	98.4	Very high	96.1	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	141.5	170.2	-178.6	45.1	0	0	0	110.9	L12 K20 S21 M24 T39 V42 E43	L12-D62 HydrophobicContact CD1-CB 4.4Å; K20-D62 WeakPolarHBondContact CB-OD1 3.35Å; S21-D62 WeakPolarHBondContact CA-OD2 3.42Å; S21-D62 WeakPolarHBondContact CB-OD2 3.44Å; S21-D62 PolarHBondContact N-OD1 3.09Å; S21-D62 PolarHBondContact OG-OD2 2.96Å; M24-D62 HydrophobicContact CE-CB 3.64Å; M24-D62 HydrophobicContact SD-CB 3.69Å; T39-D62 PolarHBondContact OG1-OD2 3.49Å; V42-D62 VanDerWaalsContact CA-O 3.3Å; V42-D62 WeakPolarHBondContact CA-O 3.34Å; V42-D62 WeakPolarHBondContact CG1-O 3.46Å; E43-D62 PolarHBondContact N-O 2.79Å; E43-D62 PolarHBondContact O-N 2.96Å
63	T	97.5	Very high	96.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	154.8	-171.5	71.1	0	0	0	0	113.4	I11 L12 L13 K20 V42 G65 R73	I11-T63 HydrophobicContact CD1-CG2 3.9Å; I11-T63 HydrophobicContact CG1-CG2 3.82Å; L12-T63 PolarHBondContact O-OG1 3.22Å; L13-T63 HydrophobicContact CD2-CG2 4.02Å; L13-T63 WeakPolarHBondContact CD2-OG1 3.09Å; K20-T63 WeakPolarHBondContact CE-O 3.45Å; V42-T63 HydrophobicContact CG1-CG2 4.42Å; V42-T63 HydrophobicContact CG2-CG2 4.24Å; T63-G65 PolarHBondContact O-N 3.2Å; T63-R73 HydrophobicContact CG2-CB 4.46Å
64	A	96	Very high	96.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.232	C	C	.	.			trans	-62.4	123.3	173	0	0	0	0	0	113	T39 G41 F69 R73	T39-A64 WeakPolarHBondContact O-CA 3.27Å; T39-A64 WeakPolarHBondContact O-CB 3.27Å; G41-A64 PolarHBondContact O-N 2.82Å; A64-F69 HydrophobicContact CB-CB 3.67Å; A64-F69 HydrophobicContact CB-CD2 4.06Å; A64-F69 HydrophobicContact CB-CG 4.27Å; A64-R73 WeakPolarHBondContact O-CD 3.49Å; A64-R73 PolarHBondContact O-NH1 3.18Å
65	G	96.1	Very high	96.6	Very high	7 Å²	7	49.7 Å²	49.7	7%	0.072	24%	0.241	C	C	.	.			trans	-83.1	-12.7	178	0	0	0	0	0	115.3	G14 G16 T63 W101	G14-G65 VanDerWaalsContact O-CA 3.23Å; G14-G65 WeakPolarHBondContact O-CA 3.43Å; G16-G65 PolarHBondContact N-O 3.06Å; T63-G65 PolarHBondContact O-N 3.2Å; G65-W101 WeakPolarHBondContact O-CZ2 3.44Å
66	Q	94.5	Very high	96.7	Very high	72 Å²	72	47.1 Å²	47.1	34%	0.336	23%	0.229	S	C	.	.	S	Bend	trans	-84.7	136.2	-176.9	-58.9	-57.6	84.8	0	0	111.5	R68 F69 R73	Q66-R68 VanDerWaalsContact C-N 3.26Å; Q66-R68 PolarHBondContact O-N 2.84Å; Q66-F69 HydrophobicContact CB-CD2 3.82Å; Q66-F69 HydrophobicContact CB-CE2 4.16Å; Q66-F69 HydrophobicContact CG-CD2 4.46Å; Q66-F69 HydrophobicContact CG-CE2 4.46Å; Q66-F69 PolarHBondContact O-N 2.88Å; Q66-R73 PolarHBondContact O-NH1 3.2Å
67	E	93.6	Very high	96.8	Very high	103 Å²	103	46.9 Å²	46.9	48%	0.481	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-55.3	-38.2	-178.5	177.3	64.6	168.1	0	0	114	F69 R70 R73	E67-F69 PolarHBondContact O-N 2.96Å; E67-R70 WeakPolarHBondContact O-CB 3.34Å; E67-R70 PolarHBondContact O-N 3.08Å; E67-R70 IonicContact OE1-CZ 3.27Å; E67-R70 IonicContact OE1-NE 2.88Å; E67-R70 IonicContact OE1-NH1 3.89Å; E67-R70 PolarHBondContact OE1-NH1 2.64Å; E67-R70 IonicContact OE1-NH2 3.69Å; E67-R70 PolarHBondContact OE1-NH2 2.84Å; E67-R70 IonicContact OE2-CZ 2.75Å; E67-R70 IonicContact OE2-NE 3.89Å; E67-R70 IonicContact OE2-NH1 3.32Å; E67-R70 IonicContact OE2-NH2 3.46Å; E67-R70 PolarHBondContact OE2-NH2 3.39Å; E67-R73 IonicContact OE2-NH2 2.69Å
68	R	95	Very high	96.8	Very high	218 Å²	218	53 Å²	53	82%	0.823	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-61.4	-14.4	178.8	-63.6	-170.4	-64	-178.1	-0.5	113.8	Q66	Q66-R68 VanDerWaalsContact C-N 3.26Å; Q66-R68 PolarHBondContact O-N 2.84Å
69	F	94.8	Very high	96.7	Very high	47 Å²	47	55.5 Å²	55.5	21%	0.206	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-106.8	12	177.6	-55.1	-47.7	0	0	0	113.3	I40 A64 Q66 E67 S71 L72 R73	I40-F69 HydrophobicContact CB-CE2 4.25Å; I40-F69 HydrophobicContact CB-CZ 4.26Å; I40-F69 HydrophobicContact CD1-CZ 4.42Å; I40-F69 HydrophobicContact CG1-CE2 3.84Å; I40-F69 HydrophobicContact CG1-CZ 3.84Å; I40-F69 HydrophobicContact CG2-CD1 4.09Å; I40-F69 HydrophobicContact CG2-CE1 3.76Å; I40-F69 HydrophobicContact CG2-CE2 4.28Å; I40-F69 HydrophobicContact CG2-CG 4.5Å; I40-F69 HydrophobicContact CG2-CZ 3.87Å; A64-F69 HydrophobicContact CB-CB 3.67Å; A64-F69 HydrophobicContact CB-CD2 4.06Å; A64-F69 HydrophobicContact CB-CG 4.27Å; Q66-F69 HydrophobicContact CB-CD2 3.82Å; Q66-F69 HydrophobicContact CB-CE2 4.16Å; Q66-F69 HydrophobicContact CG-CD2 4.46Å; Q66-F69 HydrophobicContact CG-CE2 4.46Å; Q66-F69 PolarHBondContact O-N 2.88Å; E67-F69 PolarHBondContact O-N 2.96Å; F69-S71 VanDerWaalsContact C-N 3.28Å; F69-S71 PolarHBondContact O-N 2.96Å; F69-L72 HydrophobicContact CB-CD1 4.35Å; F69-L72 HydrophobicContact CD1-CD1 4.03Å; F69-L72 WeakPolarHBondContact O-CB 3.39Å; F69-L72 PolarHBondContact O-N 3.04Å; F69-R73 PolarHBondContact O-N 2.87Å
70	R	95	Very high	96.7	Very high	86 Å²	86	54.5 Å²	54.5	33%	0.325	27%	0.27	S	S	.	.	H	α-helix	trans	-51.3	-45.6	179.8	-179.5	-173.7	-81.7	139.1	3.8	112.6	E67 L72 R73 T74 E104	E67-R70 WeakPolarHBondContact O-CB 3.34Å; E67-R70 PolarHBondContact O-N 3.08Å; E67-R70 IonicContact OE1-CZ 3.27Å; E67-R70 IonicContact OE1-NE 2.88Å; E67-R70 IonicContact OE1-NH1 3.89Å; E67-R70 PolarHBondContact OE1-NH1 2.64Å; E67-R70 IonicContact OE1-NH2 3.69Å; E67-R70 PolarHBondContact OE1-NH2 2.84Å; E67-R70 IonicContact OE2-CZ 2.75Å; E67-R70 IonicContact OE2-NE 3.89Å; E67-R70 IonicContact OE2-NH1 3.32Å; E67-R70 IonicContact OE2-NH2 3.46Å; E67-R70 PolarHBondContact OE2-NH2 3.39Å; R70-L72 PolarHBondContact O-N 2.78Å; R70-L72 VanDerWaalsContact O-N 3.15Å; R70-R73 WeakPolarHBondContact O-CG 3.07Å; R70-R73 PolarHBondContact O-N 2.8Å; R70-T74 HydrophobicContact CG-CG2 3.72Å; R70-T74 WeakPolarHBondContact O-CG2 3.37Å; R70-T74 PolarHBondContact O-N 2.85Å; R70-T74 VanDerWaalsContact O-N 3.17Å; R70-T74 PolarHBondContact O-OG1 2.82Å; R70-E104 IonicContact CZ-OE2 3.11Å; R70-E104 IonicContact NE-OE2 2.62Å; R70-E104 PolarHBondContact NE-OE2 2.89Å; R70-E104 IonicContact NH2-OE2 2.77Å; R70-E104 PolarHBondContact NH2-OE2 2.77Å
71	S	95.6	Very high	96.7	Very high	93 Å²	93	57.1 Å²	57.1	65%	0.65	28%	0.284	S	S	*	.	H	α-helix	trans	-64.9	-17.4	-179.1	56.9	0	0	0	0	114.2	F69	F69-S71 VanDerWaalsContact C-N 3.28Å; F69-S71 PolarHBondContact O-N 2.96Å
72	L	95.9	Very high	96.7	Very high	83 Å²	83	55.7 Å²	55.7	44%	0.435	28%	0.279	S	S	.	.	H	α-helix	trans	-87.8	-26.5	177.3	-58.9	178.2	0	0	0	112.6	I40 F69 R70 F76	I40-L72 HydrophobicContact CG2-CD1 4.48Å; I40-L72 VanDerWaalsContact O-CD1 3.31Å; I40-L72 WeakPolarHBondContact O-CD1 3.32Å; F69-L72 HydrophobicContact CB-CD1 4.35Å; F69-L72 HydrophobicContact CD1-CD1 4.03Å; F69-L72 WeakPolarHBondContact O-CB 3.39Å; F69-L72 PolarHBondContact O-N 3.04Å; R70-L72 PolarHBondContact O-N 2.78Å; R70-L72 VanDerWaalsContact O-N 3.15Å; L72-F76 WeakPolarHBondContact O-CE2 3.46Å
73	R	96.5	Very high	96.7	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.008	28%	0.279	C	S	.	.	H	α-helix	trans	-95.2	-39.7	-176.7	67.6	-177.6	-178.8	-126.4	-0.2	114.4	V42 T63 A64 Q66 E67 F69 R70 F76 Y77 W101 E104	V42-R73 HydrophobicContact CG2-CB 4.1Å; T63-R73 HydrophobicContact CG2-CB 4.46Å; A64-R73 WeakPolarHBondContact O-CD 3.49Å; A64-R73 PolarHBondContact O-NH1 3.18Å; Q66-R73 PolarHBondContact O-NH1 3.2Å; E67-R73 IonicContact OE2-NH2 2.69Å; F69-R73 PolarHBondContact O-N 2.87Å; R70-R73 WeakPolarHBondContact O-CG 3.07Å; R70-R73 PolarHBondContact O-N 2.8Å; R73-F76 PolarHBondContact O-N 3.15Å; R73-Y77 HydrophobicContact CB-CE1 4.14Å; R73-Y77 WeakPolarHBondContact CD-OH 3.12Å; R73-Y77 HydrophobicContact CG-CE1 4.07Å; R73-Y77 WeakPolarHBondContact CG-OH 3.26Å; R73-Y77 PolarHBondContact NE-OH 3.08Å; R73-Y77 VanDerWaalsContact NE-OH 3.1Å; R73-Y77 WeakPolarHBondContact O-CD1 3.4Å; R73-Y77 WeakPolarHBondContact O-CE1 3.27Å; R73-W101 VanDerWaalsContact NE-CZ3 3.28Å; R73-E104 IonicContact CZ-OE1 3.68Å; R73-E104 IonicContact CZ-OE2 2.88Å; R73-E104 IonicContact NE-OE1 3.34Å; R73-E104 PolarHBondContact NE-OE1 3.33Å; R73-E104 IonicContact NH2-OE1 3Å; R73-E104 PolarHBondContact NH2-OE1 2.87Å; R73-E104 IonicContact NH2-OE2 2.78Å; R73-E104 PolarHBondContact NH2-OE2 2.81Å
74	T	97.5	Very high	96.8	Very high	15 Å²	15	55.7 Å²	55.7	9%	0.092	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-62.1	-30.1	-171.1	56.7	0	0	0	0	115.1	R70 F76 Y77 E104 Y108	R70-T74 HydrophobicContact CG-CG2 3.72Å; R70-T74 WeakPolarHBondContact O-CG2 3.37Å; R70-T74 PolarHBondContact O-N 2.85Å; R70-T74 VanDerWaalsContact O-N 3.17Å; R70-T74 PolarHBondContact O-OG1 2.82Å; T74-F76 PolarHBondContact O-N 3.32Å; T74-F76 VanDerWaalsContact O-N 3.1Å; T74-Y77 HydrophobicContact CG2-CD2 4.38Å; T74-Y77 HydrophobicContact CG2-CE2 3.84Å; T74-Y77 WeakPolarHBondContact O-CB 3.38Å; T74-Y77 PolarHBondContact O-N 3.02Å; T74-Y77 VanDerWaalsContact O-N 3.15Å; T74-E104 HydrophobicContact CG2-CG 4.32Å; T74-Y108 HydrophobicContact CG2-CD1 4.14Å; T74-Y108 HydrophobicContact CG2-CD2 3.49Å; T74-Y108 VanDerWaalsContact CG2-CD2 3.49Å; T74-Y108 HydrophobicContact CG2-CE1 4.37Å; T74-Y108 HydrophobicContact CG2-CE2 3.78Å; T74-Y108 HydrophobicContact CG2-CG 3.71Å
75	P	97.4	Very high	97	Very high	90 Å²	90	55.7 Å²	55.7	58%	0.584	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-59.5	-22.9	174.8	-25.9	36.8	0	0	0	114.1
76	F	97.7	Very high	97.1	Very high	79 Å²	79	55.3 Å²	55.3	35%	0.346	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-90.5	-1.5	-177.5	-62.2	-84	0	0	0	113.5	K9 V42 W61 L72 R73 T74	K9-F76 VanDerWaalsContact CE-O 3.31Å; K9-F76 WeakPolarHBondContact CE-O 3.29Å; K9-F76 PolarHBondContact NZ-O 2.99Å; V42-F76 HydrophobicContact CB-CD2 3.95Å; V42-F76 HydrophobicContact CB-CE2 4.08Å; V42-F76 HydrophobicContact CB-CG 4.34Å; V42-F76 HydrophobicContact CG1-CB 4.27Å; V42-F76 HydrophobicContact CG1-CD1 4.4Å; V42-F76 HydrophobicContact CG1-CD2 4.12Å; V42-F76 HydrophobicContact CG1-CG 4Å; V42-F76 HydrophobicContact CG2-CD2 3.57Å; V42-F76 HydrophobicContact CG2-CE2 3.98Å; V42-F76 HydrophobicContact CG2-CG 4.22Å; W61-F76 HydrophobicContact CE3-CB 4.22Å; W61-F76 AromaticContact CE3-CD1 3.87Å; W61-F76 HydrophobicContact CE3-CD1 3.87Å; W61-F76 HydrophobicContact CE3-CG 4.27Å; W61-F76 AromaticContact CH2-CD1 3.77Å; W61-F76 HydrophobicContact CH2-CD1 3.77Å; W61-F76 HydrophobicContact CH2-CE1 4.13Å; W61-F76 HydrophobicContact CZ3-CB 4.37Å; W61-F76 AromaticContact CZ3-CD1 3.18Å; W61-F76 HydrophobicContact CZ3-CD1 3.18Å; W61-F76 AromaticContact CZ3-CE1 3.63Å; W61-F76 HydrophobicContact CZ3-CE1 3.63Å; W61-F76 HydrophobicContact CZ3-CG 4Å; L72-F76 WeakPolarHBondContact O-CE2 3.46Å; R73-F76 PolarHBondContact O-N 3.15Å; T74-F76 PolarHBondContact O-N 3.32Å; T74-F76 VanDerWaalsContact O-N 3.1Å
77	Y	98.6	Very high	97.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.259	C	S	.	.			trans	-74	-34.9	-176.8	-68.3	7	0	0	0	112.3	I11 L13 R73 T74 G79 S80 E104 F105	I11-Y77 HydrophobicContact CD1-CD1 3.32Å; I11-Y77 HydrophobicContact CD1-CE1 3.76Å; I11-Y77 HydrophobicContact CD1-CG 4.24Å; L13-Y77 HydrophobicContact CD1-CE1 4.33Å; L13-Y77 HydrophobicContact CD1-CE2 4.12Å; L13-Y77 HydrophobicContact CD2-CD1 4.45Å; L13-Y77 HydrophobicContact CD2-CE1 3.53Å; L13-Y77 WeakPolarHBondContact CD2-OH 3.45Å; R73-Y77 HydrophobicContact CB-CE1 4.14Å; R73-Y77 WeakPolarHBondContact CD-OH 3.12Å; R73-Y77 HydrophobicContact CG-CE1 4.07Å; R73-Y77 WeakPolarHBondContact CG-OH 3.26Å; R73-Y77 PolarHBondContact NE-OH 3.08Å; R73-Y77 VanDerWaalsContact NE-OH 3.1Å; R73-Y77 WeakPolarHBondContact O-CD1 3.4Å; R73-Y77 WeakPolarHBondContact O-CE1 3.27Å; T74-Y77 HydrophobicContact CG2-CD2 4.38Å; T74-Y77 HydrophobicContact CG2-CE2 3.84Å; T74-Y77 WeakPolarHBondContact O-CB 3.38Å; T74-Y77 PolarHBondContact O-N 3.02Å; T74-Y77 VanDerWaalsContact O-N 3.15Å; Y77-G79 PolarHBondContact O-N 2.97Å; Y77-S80 WeakPolarHBondContact O-CB 3.39Å; Y77-S80 PolarHBondContact O-N 3.21Å; Y77-S80 PolarHBondContact O-OG 3.41Å; Y77-E104 HydrophobicContact CE2-CG 4.07Å; Y77-E104 PolarHBondContact OH-OE1 3.35Å; Y77-F105 HydrophobicContact CD2-CB 4.46Å; Y77-F105 HydrophobicContact CD2-CD2 4Å; Y77-F105 HydrophobicContact CG-CD2 4.1Å
78	R	98.1	Very high	97.5	Very high	157 Å²	157	47 Å²	47	59%	0.592	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	137.7	-177.8	-171.5	174.9	179.1	84.4	-0.3	111.5	K9 S80 D110	K9-R78 PolarHBondContact NZ-O 3.12Å; R78-S80 VanDerWaalsContact C-N 3.26Å; R78-S80 PolarHBondContact O-N 3.23Å; R78-D110 IonicContact CZ-OD2 3.92Å; R78-D110 IonicContact NH1-OD2 2.87Å; R78-D110 PolarHBondContact NH1-OD2 3.25Å
79	G	97	Very high	97.7	Very high	53 Å²	53	36.6 Å²	36.6	55%	0.546	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	14.5	-179.9	0	0	0	0	0	114.4	K9 Y77	K9-G79 WeakPolarHBondContact CD-O 3.26Å; Y77-G79 PolarHBondContact O-N 2.97Å
80	S	98.7	Very high	97.9	Very high	8 Å²	8	36.3 Å²	36.3	6%	0.056	20%	0.198	C	C	.	.			trans	-72.6	136.3	167.3	-49.9	0	0	0	0	109.3	K9 Y77 R78 F117	K9-S80 WeakPolarHBondContact CE-OG 3.33Å; Y77-S80 WeakPolarHBondContact O-CB 3.39Å; Y77-S80 PolarHBondContact O-N 3.21Å; Y77-S80 PolarHBondContact O-OG 3.41Å; R78-S80 VanDerWaalsContact C-N 3.26Å; R78-S80 PolarHBondContact O-N 3.23Å; S80-F117 WeakPolarHBondContact O-CE2 3.19Å; S80-F117 VanDerWaalsContact O-CZ 3.27Å; S80-F117 WeakPolarHBondContact O-CZ 3.45Å
81	D	98.5	Very high	98.1	Very high	56 Å²	56	34.6 Å²	34.6	30%	0.299	20%	0.195	S	C	.	.	S	Bend	trans	-91.3	-26.6	179.9	-54.7	-56.9	0	0	0	111.4	F8 K9 P118 I172	F8-D81 WeakPolarHBondContact CA-OD2 3.12Å; K9-D81 PolarHBondContact N-OD2 2.61Å; K9-D81 PolarHBondContact O-N 3.17Å; D81-P118 WeakPolarHBondContact O-CD 3.19Å; D81-P118 WeakPolarHBondContact O-CG 3.4Å; D81-I172 HydrophobicContact CB-CD1 3.66Å; D81-I172 HydrophobicContact CB-CG1 3.88Å; D81-I172 HydrophobicContact CB-CG2 4.1Å
82	C	98.8	Very high	98.2	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	147.2	171.7	-177.3	0	0	0	0	111.5	K9 I10 I11 P118 A168 I172	K9-C82 PolarHBondContact O-N 3.1Å; I10-C82 WeakPolarHBondContact CA-O 3.28Å; I11-C82 PolarHBondContact N-O 3.42Å; I11-C82 VanDerWaalsContact N-O 3.08Å; C82-P118 WeakPolarHBondContact CA-O 3.35Å; C82-P118 HydrophobicContact CB-CB 3.96Å; C82-P118 PolarHBondContact SG-O 3.02Å; C82-A168 HydrophobicContact CB-CB 4.32Å; C82-I172 HydrophobicContact CB-CD1 3.72Å; C82-I172 HydrophobicContact CB-CG1 3.79Å
83	C	98.9	Very high	98.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	119.5	173.2	177.4	0	0	0	0	110.8	I11 F105 F117 P118 F119 V120	I11-C83 HydrophobicContact CG2-CB 3.99Å; C83-F105 HydrophobicContact CB-CD1 4.09Å; C83-F105 HydrophobicContact CB-CD2 4.3Å; C83-F105 HydrophobicContact CB-CE1 3.97Å; C83-F105 HydrophobicContact CB-CE2 4.18Å; C83-F105 HydrophobicContact CB-CG 4.25Å; C83-F105 HydrophobicContact CB-CZ 4.01Å; C83-F117 HydrophobicContact CB-CE1 3.96Å; C83-P118 PolarHBondContact N-O 3.46Å; C83-F119 HydrophobicContact CB-CD1 3.61Å; C83-F119 HydrophobicContact CB-CE1 3.61Å; C83-F119 WeakPolarHBondContact O-CA 3.42Å; C83-V120 PolarHBondContact O-N 2.89Å
84	L	99	Very high	98.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	105.1	171.5	-65.6	-176.4	0	0	0	109.3	I10 I11 L12 L13 V120 L122 F165 A168	I10-L84 HydrophobicContact CG2-CD1 3.65Å; I10-L84 HydrophobicContact CG2-CG 3.61Å; I11-L84 PolarHBondContact O-N 3.1Å; L12-L84 HydrophobicContact CD2-CB 3.69Å; L12-L84 HydrophobicContact CD2-CD1 3.57Å; L12-L84 HydrophobicContact CD2-CG 4.25Å; L12-L84 HydrophobicContact CG-CB 4.49Å; L12-L84 HydrophobicContact CG-CD1 4.37Å; L13-L84 PolarHBondContact N-O 3.21Å; L84-V120 WeakPolarHBondContact CA-O 2.99Å; L84-V120 HydrophobicContact CD2-CB 3.6Å; L84-V120 HydrophobicContact CD2-CG1 4.14Å; L84-V120 HydrophobicContact CD2-CG2 4.29Å; L84-L122 HydrophobicContact CB-CD1 4.27Å; L84-L122 HydrophobicContact CD1-CD1 4.3Å; L84-F165 HydrophobicContact CD1-CD1 3.71Å; L84-F165 HydrophobicContact CD1-CE1 3.44Å; L84-F165 VanDerWaalsContact CD1-CE1 3.44Å; L84-F165 HydrophobicContact CD1-CZ 4.05Å; L84-A168 HydrophobicContact CD2-CB 3.93Å
85	L	98.9	Very high	98.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	115.7	177.4	-69.5	171.8	0	0	0	109.5	L13 L98 W101 K102 F119 V120 I121 L122	L13-L85 HydrophobicContact CB-CD2 4.09Å; L85-L98 HydrophobicContact CB-CD2 4.06Å; L85-W101 HydrophobicContact CD2-CB 3.74Å; L85-K102 HydrophobicContact CD1-CB 3.91Å; L85-K102 HydrophobicContact CD1-CG 4.37Å; L85-F119 HydrophobicContact CD1-CD1 3.69Å; L85-F119 HydrophobicContact CD1-CE1 4.15Å; L85-F119 HydrophobicContact CD1-CG 4.49Å; L85-F119 HydrophobicContact CG-CD1 4.05Å; L85-V120 PolarHBondContact N-O 3.22Å; L85-I121 HydrophobicContact CB-CD1 3.78Å; L85-I121 HydrophobicContact CD1-CD1 3.83Å; L85-I121 HydrophobicContact CG-CD1 4.33Å; L85-I121 WeakPolarHBondContact O-CA 3.2Å; L85-L122 PolarHBondContact O-N 2.99Å
86	T	99	Very high	98.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.1	-170.4	-50	0	0	0	0	111.2	L13 G14 V18 K20 L23 L122 N124	L13-T86 PolarHBondContact O-N 2.96Å; G14-T86 WeakPolarHBondContact CA-O 3.48Å; V18-T86 HydrophobicContact CB-CG2 4.43Å; V18-T86 HydrophobicContact CG2-CG2 3.8Å; K20-T86 HydrophobicContact CG-CG2 4.35Å; L23-T86 HydrophobicContact CD1-CG2 3.85Å; T86-L122 WeakPolarHBondContact CA-O 3.31Å; T86-L122 HydrophobicContact CG2-CB 4.17Å; T86-N124 HydrophobicContact CG2-CB 4.11Å
87	F	98.9	Very high	98.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	172.2	166.3	72.5	-82.6	0	0	0	110	V89 S94 F95 L98 I121 L122 G123 N124 V133 A138 Y150	F87-V89 HydrophobicContact CE2-CG1 4.21Å; F87-S94 WeakPolarHBondContact CB-OG 3.36Å; F87-F95 HydrophobicContact CB-CB 4.22Å; F87-F95 AromaticContact CD1-CD2 3.94Å; F87-F95 HydrophobicContact CD1-CD2 3.94Å; F87-F95 HydrophobicContact CD2-CB 3.73Å; F87-F95 HydrophobicContact CD2-CD2 4.01Å; F87-F95 HydrophobicContact CD2-CG 4.27Å; F87-F95 AromaticContact CE1-CD2 3.85Å; F87-F95 HydrophobicContact CE1-CD2 3.85Å; F87-F95 HydrophobicContact CE1-CE2 4.32Å; F87-F95 HydrophobicContact CE2-CB 4.28Å; F87-F95 AromaticContact CE2-CD2 3.97Å; F87-F95 HydrophobicContact CE2-CD2 3.97Å; F87-F95 HydrophobicContact CE2-CG 4.4Å; F87-F95 HydrophobicContact CG-CB 4.01Å; F87-F95 AromaticContact CG-CD2 4Å; F87-F95 HydrophobicContact CG-CD2 4Å; F87-F95 AromaticContact CZ-CD2 3.88Å; F87-F95 HydrophobicContact CZ-CD2 3.88Å; F87-F95 HydrophobicContact CZ-CE2 4.36Å; F87-L98 HydrophobicContact CB-CD1 4.44Å; F87-L98 HydrophobicContact CB-CD2 4.16Å; F87-L98 HydrophobicContact CB-CG 4.39Å; F87-L98 HydrophobicContact CD1-CD1 3.72Å; F87-L98 HydrophobicContact CD1-CD2 4.45Å; F87-L98 HydrophobicContact CE1-CD1 4.31Å; F87-L98 HydrophobicContact CG-CD1 4.33Å; F87-I121 HydrophobicContact CD1-CG2 4.36Å; F87-I121 HydrophobicContact CE1-CG2 4.13Å; F87-L122 VanDerWaalsContact CD1-O 3.25Å; F87-L122 WeakPolarHBondContact CD1-O 3.44Å; F87-L122 PolarHBondContact N-O 3.21Å; F87-G123 VanDerWaalsContact CE1-CA 3.4Å; F87-G123 VanDerWaalsContact CZ-CA 3.41Å; F87-N124 PolarHBondContact O-N 3.44Å; F87-V133 HydrophobicContact CD2-CG2 4.42Å; F87-V133 HydrophobicContact CE2-CB 3.92Å; F87-V133 HydrophobicContact CE2-CG1 3.75Å; F87-V133 HydrophobicContact CE2-CG2 4.21Å; F87-V133 HydrophobicContact CZ-CG1 4.19Å; F87-A138 HydrophobicContact CE1-CB 4.34Å; F87-A138 HydrophobicContact CZ-CB 3.81Å; F87-Y150 AromaticContact CE1-CE2 3.76Å; F87-Y150 HydrophobicContact CE1-CE2 3.76Å; F87-Y150 AromaticContact CZ-CE2 3.88Å; F87-Y150 HydrophobicContact CZ-CE2 3.88Å
88	S	98.8	Very high	98.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	131.7	175.2	-147.2	0	0	0	0	109.5	D90 D91 S94 N124 K125	S88-D90 WeakPolarHBondContact CB-OD1 3.22Å; S88-D90 PolarHBondContact O-N 2.88Å; S88-D90 VanDerWaalsContact O-N 3.16Å; S88-D90 PolarHBondContact OG-OD1 3.19Å; S88-D91 CarbonylContact O-C 3.45Å; S88-D91 PolarHBondContact O-N 2.9Å; S88-S94 PolarHBondContact N-OG 2.77Å; S88-N124 WeakPolarHBondContact CA-O 3.46Å; S88-K125 WeakPolarHBondContact OG-CD 3.46Å; S88-K125 WeakPolarHBondContact OG-CE 3.35Å; S88-K125 WeakPolarHBondContact OG-CG 3.43Å; S88-K125 PolarHBondContact OG-NZ 3.32Å
89	V	98.8	Very high	98.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-20.2	-177.4	-59.5	0	0	0	0	113.1	F87 N124 K125 T126 R131 Q132 V133	F87-V89 HydrophobicContact CE2-CG1 4.21Å; V89-N124 WeakPolarHBondContact CG1-O 3.4Å; V89-N124 WeakPolarHBondContact CG2-O 3.4Å; V89-N124 PolarHBondContact N-O 2.97Å; V89-K125 VanDerWaalsContact CG2-O 3.3Å; V89-K125 WeakPolarHBondContact CG2-O 3.36Å; V89-T126 HydrophobicContact CG1-CG2 4.13Å; V89-R131 HydrophobicContact CB-CG 4.41Å; V89-R131 VanDerWaalsContact CG1-NH2 3.3Å; V89-R131 HydrophobicContact CG2-CG 4.1Å; V89-R131 CarbonylContact O-C 3.3Å; V89-R131 WeakPolarHBondContact O-CA 3.23Å; V89-Q132 PolarHBondContact O-N 3.01Å; V89-V133 PolarHBondContact O-N 2.99Å; V89-V133 VanDerWaalsContact O-N 3.1Å
90	D	98.6	Very high	98.8	Very high	40 Å²	40	27.2 Å²	27.2	21%	0.214	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	3.4	173.6	66.1	-42.9	0	0	0	113.8	S88 K125 I128 Q132	S88-D90 WeakPolarHBondContact CB-OD1 3.22Å; S88-D90 PolarHBondContact O-N 2.88Å; S88-D90 VanDerWaalsContact O-N 3.16Å; S88-D90 PolarHBondContact OG-OD1 3.19Å; D90-K125 IonicContact OD1-NZ 2.9Å; D90-I128 HydrophobicContact CB-CB 4.38Å; D90-I128 HydrophobicContact CB-CD1 4.2Å; D90-I128 HydrophobicContact CB-CG2 3.86Å; D90-I128 VanDerWaalsContact OD2-CD1 3.23Å; D90-I128 WeakPolarHBondContact OD2-CD1 3.37Å; D90-Q132 WeakPolarHBondContact O-CG 3.44Å; D90-Q132 PolarHBondContact O-NE2 2.75Å; D90-Q132 VanDerWaalsContact O-NE2 3.1Å; D90-Q132 PolarHBondContact O-OE1 3.32Å
91	D	98.6	Very high	98.8	Very high	51 Å²	51	27.4 Å²	27.4	27%	0.273	14%	0.144	S	C	.	.			trans	-133.9	94.7	-179.3	-177.5	-10.5	0	0	0	111.3	S88 Q93 S94 F95	S88-D91 CarbonylContact O-C 3.45Å; S88-D91 PolarHBondContact O-N 2.9Å; D91-Q93 VanDerWaalsContact C-N 3.27Å; D91-Q93 PolarHBondContact O-N 3.38Å; D91-Q93 WeakPolarHBondContact OD1-CB 2.98Å; D91-Q93 PolarHBondContact OD1-N 3.35Å; D91-S94 PolarHBondContact O-N 2.86Å; D91-S94 PolarHBondContact O-OG 2.87Å; D91-S94 PolarHBondContact OD1-N 3.04Å; D91-F95 PolarHBondContact O-N 3.49Å
92	S	98.6	Very high	98.8	Very high	38 Å²	38	25.9 Å²	25.9	27%	0.266	14%	0.135	S	C	.	.	H	α-helix	trans	-62.4	-29.4	178.2	53.7	0	0	0	0	113.9	F95 Q96 Q132	S92-F95 PolarHBondContact O-N 3.34Å; S92-Q96 VanDerWaalsContact O-CG 3.32Å; S92-Q96 WeakPolarHBondContact O-CG 3.36Å; S92-Q96 PolarHBondContact O-N 3.16Å; S92-Q132 PolarHBondContact OG-OE1 3.47Å
93	Q	98.8	Very high	98.8	Very high	96 Å²	96	32.7 Å²	32.7	45%	0.449	16%	0.164	S	C	.	.	H	α-helix	trans	-68.9	-40.1	178	-175.9	61.6	65.9	0	0	110.7	D91 F95 Q96 N97	D91-Q93 VanDerWaalsContact C-N 3.27Å; D91-Q93 PolarHBondContact O-N 3.38Å; D91-Q93 WeakPolarHBondContact OD1-CB 2.98Å; D91-Q93 PolarHBondContact OD1-N 3.35Å; Q93-F95 PolarHBondContact O-N 2.74Å; Q93-Q96 PolarHBondContact O-N 2.78Å; Q93-N97 PolarHBondContact NE2-ND2 3.46Å; Q93-N97 PolarHBondContact NE2-OD1 2.62Å; Q93-N97 WeakPolarHBondContact O-CB 3.48Å; Q93-N97 PolarHBondContact O-N 3.03Å; Q93-N97 PolarHBondContact O-ND2 3.13Å
94	S	98.8	Very high	98.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.8	-34.3	176.2	76.4	0	0	0	0	112.8	D15 F87 S88 D91	D15-S94 WeakPolarHBondContact OD2-CA 3.46Å; F87-S94 WeakPolarHBondContact CB-OG 3.36Å; S88-S94 PolarHBondContact N-OG 2.77Å; D91-S94 PolarHBondContact O-N 2.86Å; D91-S94 PolarHBondContact O-OG 2.87Å; D91-S94 PolarHBondContact OD1-N 3.04Å
95	F	98.9	Very high	98.8	Very high	10 Å²	10	33.4 Å²	33.4	4%	0.044	17%	0.168	C	C	.	.	H	α-helix	trans	-71.3	-47	174.2	175.3	-111.2	0	0	0	112.2	F87 D91 S92 Q93 N97 L98 V133 E137 A138 W141	F87-F95 HydrophobicContact CB-CB 4.22Å; F87-F95 AromaticContact CD1-CD2 3.94Å; F87-F95 HydrophobicContact CD1-CD2 3.94Å; F87-F95 HydrophobicContact CD2-CB 3.73Å; F87-F95 HydrophobicContact CD2-CD2 4.01Å; F87-F95 HydrophobicContact CD2-CG 4.27Å; F87-F95 AromaticContact CE1-CD2 3.85Å; F87-F95 HydrophobicContact CE1-CD2 3.85Å; F87-F95 HydrophobicContact CE1-CE2 4.32Å; F87-F95 HydrophobicContact CE2-CB 4.28Å; F87-F95 AromaticContact CE2-CD2 3.97Å; F87-F95 HydrophobicContact CE2-CD2 3.97Å; F87-F95 HydrophobicContact CE2-CG 4.4Å; F87-F95 HydrophobicContact CG-CB 4.01Å; F87-F95 AromaticContact CG-CD2 4Å; F87-F95 HydrophobicContact CG-CD2 4Å; F87-F95 AromaticContact CZ-CD2 3.88Å; F87-F95 HydrophobicContact CZ-CD2 3.88Å; F87-F95 HydrophobicContact CZ-CE2 4.36Å; D91-F95 PolarHBondContact O-N 3.49Å; S92-F95 PolarHBondContact O-N 3.34Å; Q93-F95 PolarHBondContact O-N 2.74Å; F95-N97 PolarHBondContact O-N 2.99Å; F95-L98 HydrophobicContact CD2-CD1 3.59Å; F95-L98 HydrophobicContact CE2-CD1 3.96Å; F95-L98 WeakPolarHBondContact O-CB 3.3Å; F95-L98 WeakPolarHBondContact O-CG 3.36Å; F95-L98 PolarHBondContact O-N 3.05Å; F95-V133 HydrophobicContact CB-CG1 4.37Å; F95-V133 HydrophobicContact CB-CG2 3.68Å; F95-V133 HydrophobicContact CD1-CG1 3.9Å; F95-V133 HydrophobicContact CD1-CG2 4.18Å; F95-V133 HydrophobicContact CD2-CG1 4.06Å; F95-V133 HydrophobicContact CE1-CG1 4.16Å; F95-V133 HydrophobicContact CE2-CG1 4.32Å; F95-V133 HydrophobicContact CG-CG1 3.84Å; F95-V133 HydrophobicContact CG-CG2 4.02Å; F95-V133 HydrophobicContact CZ-CG1 4.35Å; F95-E137 HydrophobicContact CE1-CG 3.75Å; F95-E137 WeakPolarHBondContact CE1-OE1 3.46Å; F95-E137 HydrophobicContact CZ-CG 4.12Å; F95-A138 HydrophobicContact CE2-CB 4.08Å; F95-W141 HydrophobicContact CE2-CB 4.07Å; F95-W141 HydrophobicContact CE2-CG 4.17Å; F95-W141 HydrophobicContact CZ-CB 3.59Å; F95-W141 AromaticContact CZ-CG 3.9Å; F95-W141 HydrophobicContact CZ-CG 3.9Å
96	Q	98.7	Very high	98.7	Very high	115 Å²	115	35.2 Å²	35.2	54%	0.537	18%	0.177	S	C	.	.	H	α-helix	trans	-59.3	-30.6	176.8	-69.8	170.6	19.2	0	0	112.4	S92 Q93 L98	S92-Q96 VanDerWaalsContact O-CG 3.32Å; S92-Q96 WeakPolarHBondContact O-CG 3.36Å; S92-Q96 PolarHBondContact O-N 3.16Å; Q93-Q96 PolarHBondContact O-N 2.78Å; Q96-L98 VanDerWaalsContact C-N 3.31Å; Q96-L98 PolarHBondContact O-N 2.74Å
97	N	98.8	Very high	98.7	Very high	34 Å²	34	43.6 Å²	43.6	18%	0.182	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-9.5	179	-75.7	-25.4	0	0	0	114.4	D15 Q93 F95 S99 N100 W101	D15-N97 PolarHBondContact OD2-ND2 3.09Å; Q93-N97 PolarHBondContact NE2-ND2 3.46Å; Q93-N97 PolarHBondContact NE2-OD1 2.62Å; Q93-N97 WeakPolarHBondContact O-CB 3.48Å; Q93-N97 PolarHBondContact O-N 3.03Å; Q93-N97 PolarHBondContact O-ND2 3.13Å; F95-N97 PolarHBondContact O-N 2.99Å; N97-S99 VanDerWaalsContact C-N 3.26Å; N97-S99 PolarHBondContact O-N 2.87Å; N97-N100 WeakPolarHBondContact O-CA 3.48Å; N97-N100 WeakPolarHBondContact O-CB 3.43Å; N97-N100 PolarHBondContact O-N 3.4Å; N97-N100 PolarHBondContact OD1-ND2 3.29Å; N97-W101 PolarHBondContact O-N 3.36Å
98	L	98.8	Very high	98.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-55.7	-40	-179.3	-68.6	177.6	0	0	0	112.8	L85 F87 F95 Q96 N100 W101 K102 I121 W141	L85-L98 HydrophobicContact CB-CD2 4.06Å; F87-L98 HydrophobicContact CB-CD1 4.44Å; F87-L98 HydrophobicContact CB-CD2 4.16Å; F87-L98 HydrophobicContact CB-CG 4.39Å; F87-L98 HydrophobicContact CD1-CD1 3.72Å; F87-L98 HydrophobicContact CD1-CD2 4.45Å; F87-L98 HydrophobicContact CE1-CD1 4.31Å; F87-L98 HydrophobicContact CG-CD1 4.33Å; F95-L98 HydrophobicContact CD2-CD1 3.59Å; F95-L98 HydrophobicContact CE2-CD1 3.96Å; F95-L98 WeakPolarHBondContact O-CB 3.3Å; F95-L98 WeakPolarHBondContact O-CG 3.36Å; F95-L98 PolarHBondContact O-N 3.05Å; Q96-L98 VanDerWaalsContact C-N 3.31Å; Q96-L98 PolarHBondContact O-N 2.74Å; L98-N100 PolarHBondContact O-N 3Å; L98-W101 PolarHBondContact O-N 3.18Å; L98-K102 WeakPolarHBondContact O-CB 3.32Å; L98-K102 PolarHBondContact O-N 2.82Å; L98-I121 HydrophobicContact CD1-CG2 4.07Å; L98-W141 HydrophobicContact CB-CH2 3.98Å; L98-W141 HydrophobicContact CB-CZ2 3.76Å; L98-W141 HydrophobicContact CD1-CZ3 4.46Å
99	S	98.6	Very high	98.7	Very high	32 Å²	32	48.8 Å²	48.8	22%	0.224	23%	0.232	C	C	.	.	H	α-helix	trans	-62.5	-32.9	176.6	-62.2	0	0	0	0	112.6	N97 K103 W141	N97-S99 VanDerWaalsContact C-N 3.26Å; N97-S99 PolarHBondContact O-N 2.87Å; S99-K103 VanDerWaalsContact O-CG 3.26Å; S99-K103 WeakPolarHBondContact O-CG 3.5Å; S99-K103 PolarHBondContact O-N 3.03Å; S99-K103 VanDerWaalsContact O-N 3.16Å; S99-W141 PolarHBondContact OG-NE1 3.08Å
100	N	98.7	Very high	98.6	Very high	92 Å²	92	52 Å²	52	49%	0.492	25%	0.249	S	C	.	.	H	α-helix	trans	-73.1	-42.6	176.3	-63.5	-30.9	0	0	0	110.7	N97 L98 K103 E104	N97-N100 WeakPolarHBondContact O-CA 3.48Å; N97-N100 WeakPolarHBondContact O-CB 3.43Å; N97-N100 PolarHBondContact O-N 3.4Å; N97-N100 PolarHBondContact OD1-ND2 3.29Å; L98-N100 PolarHBondContact O-N 3Å; N100-K103 PolarHBondContact O-N 3.34Å; N100-E104 WeakPolarHBondContact O-CB 3.21Å; N100-E104 PolarHBondContact O-N 3.25Å
101	W	98.8	Very high	98.6	Very high	11 Å²	11	51.3 Å²	51.3	4%	0.042	25%	0.246	C	C	.	.	H	α-helix	trans	-61	-44.5	174.2	-75.2	107.8	0	0	0	112.8	L13 G14 D15 G65 R73 L85 N97 L98 K103 E104 F105	L13-W101 HydrophobicContact CB-CE3 3.95Å; L13-W101 HydrophobicContact CB-CZ3 4.41Å; L13-W101 HydrophobicContact CD1-CE3 4.43Å; L13-W101 HydrophobicContact CD2-CE3 4.46Å; L13-W101 HydrophobicContact CD2-CZ3 4.27Å; G14-W101 WeakPolarHBondContact O-CH2 3.42Å; G14-W101 WeakPolarHBondContact O-CZ2 3.41Å; D15-W101 PolarHBondContact OD1-NE1 2.86Å; G65-W101 WeakPolarHBondContact O-CZ2 3.44Å; R73-W101 VanDerWaalsContact NE-CZ3 3.28Å; L85-W101 HydrophobicContact CD2-CB 3.74Å; N97-W101 PolarHBondContact O-N 3.36Å; L98-W101 PolarHBondContact O-N 3.18Å; W101-K103 PolarHBondContact O-N 2.55Å; W101-E104 PolarHBondContact O-N 3.36Å; W101-F105 WeakPolarHBondContact O-CB 3.49Å; W101-F105 PolarHBondContact O-N 2.95Å
102	K	98.7	Very high	98.4	Very high	24 Å²	24	56.3 Å²	56.3	10%	0.104	27%	0.266	C	S	.	.	H	α-helix	trans	-58.3	-47.9	175.2	-175.6	-177.6	168.1	-170.8	0	111.3	L85 L98 F105 I106 F119 N145 Y148	L85-K102 HydrophobicContact CD1-CB 3.91Å; L85-K102 HydrophobicContact CD1-CG 4.37Å; L98-K102 WeakPolarHBondContact O-CB 3.32Å; L98-K102 PolarHBondContact O-N 2.82Å; K102-F105 PolarHBondContact O-N 2.97Å; K102-I106 HydrophobicContact CD-CD1 4.49Å; K102-I106 HydrophobicContact CG-CD1 3.83Å; K102-I106 VanDerWaalsContact O-CG1 3.32Å; K102-I106 WeakPolarHBondContact O-CG1 3.37Å; K102-I106 PolarHBondContact O-N 3.21Å; K102-F119 HydrophobicContact CG-CE1 4.13Å; K102-F119 HydrophobicContact CG-CE2 4.46Å; K102-F119 HydrophobicContact CG-CZ 3.98Å; K102-N145 PolarHBondContact NZ-O 3.27Å; K102-Y148 HydrophobicContact CD-CE2 4.32Å; K102-Y148 WeakPolarHBondContact CE-OH 3.09Å; K102-Y148 PolarHBondContact NZ-OH 2.93Å
103	K	98.6	Very high	98.2	Very high	143 Å²	143	60.7 Å²	60.7	62%	0.622	28%	0.282	S	S	*	.	H	α-helix	trans	-62.8	-44.7	177.5	-73.7	171.9	-176.2	175.9	0	112.3	S99 N100 W101 F105 I106 Y107	S99-K103 VanDerWaalsContact O-CG 3.26Å; S99-K103 WeakPolarHBondContact O-CG 3.5Å; S99-K103 PolarHBondContact O-N 3.03Å; S99-K103 VanDerWaalsContact O-N 3.16Å; N100-K103 PolarHBondContact O-N 3.34Å; W101-K103 PolarHBondContact O-N 2.55Å; K103-F105 VanDerWaalsContact C-N 3.34Å; K103-I106 PolarHBondContact O-N 3.2Å; K103-Y107 WeakPolarHBondContact O-CB 3.32Å; K103-Y107 PolarHBondContact O-N 3.04Å; K103-Y107 VanDerWaalsContact O-N 3.09Å
104	E	98.5	Very high	98	Very high	16 Å²	16	58 Å²	58	8%	0.075	27%	0.273	C	S	.	.	H	α-helix	trans	-58.3	-48.7	176.1	-171.1	-174	110.6	0	0	110.2	R70 R73 T74 Y77 N100 W101 Y107 Y108	R70-E104 IonicContact CZ-OE2 3.11Å; R70-E104 IonicContact NE-OE2 2.62Å; R70-E104 PolarHBondContact NE-OE2 2.89Å; R70-E104 IonicContact NH2-OE2 2.77Å; R70-E104 PolarHBondContact NH2-OE2 2.77Å; R73-E104 IonicContact CZ-OE1 3.68Å; R73-E104 IonicContact CZ-OE2 2.88Å; R73-E104 IonicContact NE-OE1 3.34Å; R73-E104 PolarHBondContact NE-OE1 3.33Å; R73-E104 IonicContact NH2-OE1 3Å; R73-E104 PolarHBondContact NH2-OE1 2.87Å; R73-E104 IonicContact NH2-OE2 2.78Å; R73-E104 PolarHBondContact NH2-OE2 2.81Å; T74-E104 HydrophobicContact CG2-CG 4.32Å; Y77-E104 HydrophobicContact CE2-CG 4.07Å; Y77-E104 PolarHBondContact OH-OE1 3.35Å; N100-E104 WeakPolarHBondContact O-CB 3.21Å; N100-E104 PolarHBondContact O-N 3.25Å; W101-E104 PolarHBondContact O-N 3.36Å; E104-Y107 PolarHBondContact O-N 3.42Å; E104-Y108 HydrophobicContact CG-CD2 3.69Å; E104-Y108 HydrophobicContact CG-CE2 3.87Å; E104-Y108 VanDerWaalsContact O-CD2 3.29Å; E104-Y108 WeakPolarHBondContact O-CD2 3.33Å; E104-Y108 PolarHBondContact O-N 3.45Å
105	F	98.8	Very high	97.7	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-58.3	-55	178.1	176.7	-99.2	0	0	0	112	I11 L13 Y77 C83 W101 K102 K103 Y107 Y108 A109 V111 F117 F119	I11-F105 HydrophobicContact CG2-CD2 4.14Å; I11-F105 HydrophobicContact CG2-CE2 3.72Å; L13-F105 HydrophobicContact CD1-CB 3.65Å; L13-F105 HydrophobicContact CD1-CD2 3.8Å; L13-F105 HydrophobicContact CD1-CG 4.04Å; Y77-F105 HydrophobicContact CD2-CB 4.46Å; Y77-F105 HydrophobicContact CD2-CD2 4Å; Y77-F105 HydrophobicContact CG-CD2 4.1Å; C83-F105 HydrophobicContact CB-CD1 4.09Å; C83-F105 HydrophobicContact CB-CD2 4.3Å; C83-F105 HydrophobicContact CB-CE1 3.97Å; C83-F105 HydrophobicContact CB-CE2 4.18Å; C83-F105 HydrophobicContact CB-CG 4.25Å; C83-F105 HydrophobicContact CB-CZ 4.01Å; W101-F105 WeakPolarHBondContact O-CB 3.49Å; W101-F105 PolarHBondContact O-N 2.95Å; K102-F105 PolarHBondContact O-N 2.97Å; K103-F105 VanDerWaalsContact C-N 3.34Å; F105-Y107 PolarHBondContact O-N 2.72Å; F105-Y108 PolarHBondContact O-N 3.15Å; F105-A109 HydrophobicContact CD1-CB 4.49Å; F105-A109 HydrophobicContact CD2-CB 4.14Å; F105-A109 HydrophobicContact CE1-CB 4.09Å; F105-A109 HydrophobicContact CE2-CB 3.71Å; F105-A109 HydrophobicContact CZ-CB 3.69Å; F105-A109 WeakPolarHBondContact O-CB 3.46Å; F105-A109 PolarHBondContact O-N 3.04Å; F105-V111 HydrophobicContact CD1-CG2 4.37Å; F105-V111 HydrophobicContact CE1-CG2 3.79Å; F105-V111 HydrophobicContact CZ-CG2 4.43Å; F105-F117 HydrophobicContact CD1-CE1 4.29Å; F105-F117 AromaticContact CE1-CD1 3.69Å; F105-F117 HydrophobicContact CE1-CD1 3.69Å; F105-F117 AromaticContact CE1-CE1 3.21Å; F105-F117 HydrophobicContact CE1-CE1 3.21Å; F105-F117 HydrophobicContact CE1-CE2 4.12Å; F105-F117 HydrophobicContact CE1-CG 4.34Å; F105-F117 AromaticContact CE1-CZ 3.47Å; F105-F117 HydrophobicContact CE1-CZ 3.47Å; F105-F117 VanDerWaalsContact CE1-CZ 3.47Å; F105-F117 HydrophobicContact CZ-CD1 4.42Å; F105-F117 AromaticContact CZ-CE1 3.53Å; F105-F117 HydrophobicContact CZ-CE1 3.53Å; F105-F117 HydrophobicContact CZ-CE2 4.12Å; F105-F117 AromaticContact CZ-CZ 3.35Å; F105-F117 HydrophobicContact CZ-CZ 3.35Å; F105-F119 AromaticContact CD1-CE1 3.66Å; F105-F119 HydrophobicContact CD1-CE1 3.66Å; F105-F119 AromaticContact CD1-CZ 3.65Å; F105-F119 HydrophobicContact CD1-CZ 3.65Å; F105-F119 HydrophobicContact CE1-CE1 4.16Å; F105-F119 HydrophobicContact CE1-CZ 4.05Å; F105-F119 HydrophobicContact CG-CE1 4.42Å
106	I	98.8	Very high	97.5	Very high	38 Å²	38	67 Å²	67	20%	0.195	32%	0.319	C	S	.	.	H	α-helix	trans	-54	-43.9	-178.4	-72.8	164	0	0	0	111	K102 K103 D110 V111 P114 F119	K102-I106 HydrophobicContact CD-CD1 4.49Å; K102-I106 HydrophobicContact CG-CD1 3.83Å; K102-I106 VanDerWaalsContact O-CG1 3.32Å; K102-I106 WeakPolarHBondContact O-CG1 3.37Å; K102-I106 PolarHBondContact O-N 3.21Å; K103-I106 PolarHBondContact O-N 3.2Å; I106-D110 PolarHBondContact O-N 3.23Å; I106-V111 HydrophobicContact CG2-CB 4.42Å; I106-V111 PolarHBondContact O-N 3.22Å; I106-P114 HydrophobicContact CD1-CB 4.03Å; I106-P114 HydrophobicContact CG1-CB 4.32Å; I106-P114 HydrophobicContact CG2-CB 4.02Å; I106-P114 HydrophobicContact CG2-CG 3.83Å; I106-F119 HydrophobicContact CD1-CZ 4.31Å; I106-F119 HydrophobicContact CG1-CZ 4.04Å
107	Y	98.6	Very high	97.4	Very high	175 Å²	175	63 Å²	63	69%	0.686	30%	0.3	S	S	*	.	H	α-helix	trans	-66.3	-53.4	-179.5	-178.5	-97.7	0	0	0	112.7	K103 E104 F105 D110	K103-Y107 WeakPolarHBondContact O-CB 3.32Å; K103-Y107 PolarHBondContact O-N 3.04Å; K103-Y107 VanDerWaalsContact O-N 3.09Å; E104-Y107 PolarHBondContact O-N 3.42Å; F105-Y107 PolarHBondContact O-N 2.72Å; Y107-D110 PolarHBondContact O-N 2.86Å
108	Y	98.6	Very high	97.4	Very high	100 Å²	100	61.8 Å²	61.8	39%	0.392	29%	0.294	S	S	.	.	H	α-helix	trans	-81	-24.3	-173.9	-73.3	-76	0	0	0	113.9	T74 E104 F105	T74-Y108 HydrophobicContact CG2-CD1 4.14Å; T74-Y108 HydrophobicContact CG2-CD2 3.49Å; T74-Y108 VanDerWaalsContact CG2-CD2 3.49Å; T74-Y108 HydrophobicContact CG2-CE1 4.37Å; T74-Y108 HydrophobicContact CG2-CE2 3.78Å; T74-Y108 HydrophobicContact CG2-CG 3.71Å; E104-Y108 HydrophobicContact CG-CD2 3.69Å; E104-Y108 HydrophobicContact CG-CE2 3.87Å; E104-Y108 VanDerWaalsContact O-CD2 3.29Å; E104-Y108 WeakPolarHBondContact O-CD2 3.33Å; E104-Y108 PolarHBondContact O-N 3.45Å; F105-Y108 PolarHBondContact O-N 3.15Å
109	A	98.5	Very high	97.4	Very high	10 Å²	10	61.9 Å²	61.9	8%	0.083	30%	0.295	C	S	.	.	H	α-helix	trans	-75.5	-14.9	170.6	0	0	0	0	0	112.5	F105 V111	F105-A109 HydrophobicContact CD1-CB 4.49Å; F105-A109 HydrophobicContact CD2-CB 4.14Å; F105-A109 HydrophobicContact CE1-CB 4.09Å; F105-A109 HydrophobicContact CE2-CB 3.71Å; F105-A109 HydrophobicContact CZ-CB 3.69Å; F105-A109 WeakPolarHBondContact O-CB 3.46Å; F105-A109 PolarHBondContact O-N 3.04Å; A109-V111 HydrophobicContact CB-CG2 3.78Å
110	D	97.8	Very high	97.4	Very high	67 Å²	67	60.4 Å²	60.4	36%	0.358	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	47.4	-175.1	179.2	39.8	0	0	0	111.5	R78 I106 Y107 K112	R78-D110 IonicContact CZ-OD2 3.92Å; R78-D110 IonicContact NH1-OD2 2.87Å; R78-D110 PolarHBondContact NH1-OD2 3.25Å; I106-D110 PolarHBondContact O-N 3.23Å; Y107-D110 PolarHBondContact O-N 2.86Å; D110-K112 PolarHBondContact O-N 2.92Å; D110-K112 IonicContact OD1-NZ 2.8Å; D110-K112 PolarHBondContact OD1-NZ 3.42Å; D110-K112 WeakPolarHBondContact OD2-CE 3.45Å; D110-K112 IonicContact OD2-NZ 3.89Å; D110-K112 PolarHBondContact OD2-NZ 3.33Å
111	V	97.3	Very high	97.4	Very high	25 Å²	25	56 Å²	56	15%	0.152	26%	0.26	C	S	.	.			trans	-66.7	117.6	-178.9	-178	0	0	0	0	109.7	F105 I106 A109 P114 F117	F105-V111 HydrophobicContact CD1-CG2 4.37Å; F105-V111 HydrophobicContact CE1-CG2 3.79Å; F105-V111 HydrophobicContact CZ-CG2 4.43Å; I106-V111 HydrophobicContact CG2-CB 4.42Å; I106-V111 PolarHBondContact O-N 3.22Å; A109-V111 HydrophobicContact CB-CG2 3.78Å; V111-P114 HydrophobicContact CG1-CG 4.44Å; V111-F117 HydrophobicContact CG1-CB 3.7Å; V111-F117 HydrophobicContact CG1-CD2 3.7Å; V111-F117 HydrophobicContact CG1-CG 3.89Å; V111-F117 HydrophobicContact CG2-CD2 4.06Å; V111-F117 HydrophobicContact CG2-CE2 4.37Å; V111-F117 HydrophobicContact CG2-CG 4.37Å
112	K	94.2	Very high	97.5	Very high	156 Å²	156	55.5 Å²	55.5	68%	0.678	26%	0.259	S	S	*	.	S	Bend	trans	-72.6	-35.7	-176.9	-58.5	-55.6	176.1	-164.5	0	113.3	D110	D110-K112 PolarHBondContact O-N 2.92Å; D110-K112 IonicContact OD1-NZ 2.8Å; D110-K112 PolarHBondContact OD1-NZ 3.42Å; D110-K112 WeakPolarHBondContact OD2-CE 3.45Å; D110-K112 IonicContact OD2-NZ 3.89Å; D110-K112 PolarHBondContact OD2-NZ 3.33Å
113	E	94.4	Very high	97.5	Very high	131 Å²	131	54.4 Å²	54.4	61%	0.612	25%	0.254	S	S	*	.			trans	-125	81.4	178.8	-63.9	177.5	-144.1	0	0	110.2	E115 S116 F117	E113-E115 PolarHBondContact O-N 3.38Å; E113-S116 WeakPolarHBondContact CB-OG 3.34Å; E113-S116 PolarHBondContact O-N 3.5Å; E113-S116 PolarHBondContact O-OG 3.39Å; E113-S116 PolarHBondContact OE2-OG 2.96Å; E113-S116 VanDerWaalsContact OE2-OG 3.07Å; E113-F117 PolarHBondContact O-N 3.01Å
114	P	95	Very high	97.5	Very high	40 Å²	40	47.7 Å²	47.7	26%	0.26	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-29.7	-174.5	-26.1	35.8	0	0	0	114.6	I106 V111	I106-P114 HydrophobicContact CD1-CB 4.03Å; I106-P114 HydrophobicContact CG1-CB 4.32Å; I106-P114 HydrophobicContact CG2-CB 4.02Å; I106-P114 HydrophobicContact CG2-CG 3.83Å; V111-P114 HydrophobicContact CG1-CG 4.44Å
115	E	93.3	Very high	97.5	Very high	163 Å²	163	49.3 Å²	49.3	76%	0.762	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-23.5	-179.2	-57.6	-54.1	138.5	0	0	113.1	E113	E113-E115 PolarHBondContact O-N 3.38Å
116	S	93.5	Very high	97.5	Very high	35 Å²	35	50.9 Å²	50.9	25%	0.245	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-8.2	178.7	63.2	0	0	0	0	113.1	E113	E113-S116 WeakPolarHBondContact CB-OG 3.34Å; E113-S116 PolarHBondContact O-N 3.5Å; E113-S116 PolarHBondContact O-OG 3.39Å; E113-S116 PolarHBondContact OE2-OG 2.96Å; E113-S116 VanDerWaalsContact OE2-OG 3.07Å
117	F	98	Very high	97.4	Very high	30 Å²	30	51.2 Å²	51.2	13%	0.132	24%	0.244	C	C	.	.	S	Bend	trans	-66.2	132.1	-177.9	-171.3	-87.2	0	0	0	112.4	S80 C83 F105 V111 E113 F119	S80-F117 WeakPolarHBondContact O-CE2 3.19Å; S80-F117 VanDerWaalsContact O-CZ 3.27Å; S80-F117 WeakPolarHBondContact O-CZ 3.45Å; C83-F117 HydrophobicContact CB-CE1 3.96Å; F105-F117 HydrophobicContact CD1-CE1 4.29Å; F105-F117 AromaticContact CE1-CD1 3.69Å; F105-F117 HydrophobicContact CE1-CD1 3.69Å; F105-F117 AromaticContact CE1-CE1 3.21Å; F105-F117 HydrophobicContact CE1-CE1 3.21Å; F105-F117 HydrophobicContact CE1-CE2 4.12Å; F105-F117 HydrophobicContact CE1-CG 4.34Å; F105-F117 AromaticContact CE1-CZ 3.47Å; F105-F117 HydrophobicContact CE1-CZ 3.47Å; F105-F117 VanDerWaalsContact CE1-CZ 3.47Å; F105-F117 HydrophobicContact CZ-CD1 4.42Å; F105-F117 AromaticContact CZ-CE1 3.53Å; F105-F117 HydrophobicContact CZ-CE1 3.53Å; F105-F117 HydrophobicContact CZ-CE2 4.12Å; F105-F117 AromaticContact CZ-CZ 3.35Å; F105-F117 HydrophobicContact CZ-CZ 3.35Å; V111-F117 HydrophobicContact CG1-CB 3.7Å; V111-F117 HydrophobicContact CG1-CD2 3.7Å; V111-F117 HydrophobicContact CG1-CG 3.89Å; V111-F117 HydrophobicContact CG2-CD2 4.06Å; V111-F117 HydrophobicContact CG2-CE2 4.37Å; V111-F117 HydrophobicContact CG2-CG 4.37Å; E113-F117 PolarHBondContact O-N 3.01Å; F117-F119 HydrophobicContact CB-CE2 4.06Å; F117-F119 AromaticContact CD1-CD2 3.93Å; F117-F119 HydrophobicContact CD1-CD2 3.93Å; F117-F119 HydrophobicContact CD1-CE1 4.25Å; F117-F119 AromaticContact CD1-CE2 3.54Å; F117-F119 HydrophobicContact CD1-CE2 3.54Å; F117-F119 HydrophobicContact CD1-CG 4.45Å; F117-F119 AromaticContact CD1-CZ 3.71Å; F117-F119 HydrophobicContact CD1-CZ 3.71Å; F117-F119 HydrophobicContact CE1-CZ 4.34Å; F117-F119 HydrophobicContact CG-CE2 4.23Å; F117-F119 VanDerWaalsContact O-CD2 3.27Å; F117-F119 WeakPolarHBondContact O-CD2 3.3Å; F117-F119 PolarHBondContact O-N 2.68Å
118	P	98.5	Very high	97.4	Very high	10 Å²	10	45 Å²	45	7%	0.065	22%	0.222	C	C	.	.			trans	-64.5	113.8	178.8	-26.6	37.6	0	0	0	114.5	D81 C82 C83 R171	D81-P118 WeakPolarHBondContact O-CD 3.19Å; D81-P118 WeakPolarHBondContact O-CG 3.4Å; C82-P118 WeakPolarHBondContact CA-O 3.35Å; C82-P118 HydrophobicContact CB-CB 3.96Å; C82-P118 PolarHBondContact SG-O 3.02Å; C83-P118 PolarHBondContact N-O 3.46Å; P118-R171 HydrophobicContact CB-CB 3.91Å
119	F	98.8	Very high	97.2	Very high	2 Å²	2	49 Å²	49	1%	0.009	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	146.4	164.9	-65.4	-88	0	0	0	111	C83 L85 K102 F105 I106 F117 Y148	C83-F119 HydrophobicContact CB-CD1 3.61Å; C83-F119 HydrophobicContact CB-CE1 3.61Å; C83-F119 WeakPolarHBondContact O-CA 3.42Å; L85-F119 HydrophobicContact CD1-CD1 3.69Å; L85-F119 HydrophobicContact CD1-CE1 4.15Å; L85-F119 HydrophobicContact CD1-CG 4.49Å; L85-F119 HydrophobicContact CG-CD1 4.05Å; K102-F119 HydrophobicContact CG-CE1 4.13Å; K102-F119 HydrophobicContact CG-CE2 4.46Å; K102-F119 HydrophobicContact CG-CZ 3.98Å; F105-F119 AromaticContact CD1-CE1 3.66Å; F105-F119 HydrophobicContact CD1-CE1 3.66Å; F105-F119 AromaticContact CD1-CZ 3.65Å; F105-F119 HydrophobicContact CD1-CZ 3.65Å; F105-F119 HydrophobicContact CE1-CE1 4.16Å; F105-F119 HydrophobicContact CE1-CZ 4.05Å; F105-F119 HydrophobicContact CG-CE1 4.42Å; I106-F119 HydrophobicContact CD1-CZ 4.31Å; I106-F119 HydrophobicContact CG1-CZ 4.04Å; F117-F119 HydrophobicContact CB-CE2 4.06Å; F117-F119 AromaticContact CD1-CD2 3.93Å; F117-F119 HydrophobicContact CD1-CD2 3.93Å; F117-F119 HydrophobicContact CD1-CE1 4.25Å; F117-F119 AromaticContact CD1-CE2 3.54Å; F117-F119 HydrophobicContact CD1-CE2 3.54Å; F117-F119 HydrophobicContact CD1-CG 4.45Å; F117-F119 AromaticContact CD1-CZ 3.71Å; F117-F119 HydrophobicContact CD1-CZ 3.71Å; F117-F119 HydrophobicContact CE1-CZ 4.34Å; F117-F119 HydrophobicContact CG-CE2 4.23Å; F117-F119 VanDerWaalsContact O-CD2 3.27Å; F117-F119 WeakPolarHBondContact O-CD2 3.3Å; F117-F119 PolarHBondContact O-N 2.68Å; F119-Y148 HydrophobicContact CB-CD1 3.8Å; F119-Y148 HydrophobicContact CB-CD2 4.37Å; F119-Y148 HydrophobicContact CB-CE1 3.82Å; F119-Y148 HydrophobicContact CB-CE2 4.35Å; F119-Y148 HydrophobicContact CB-CG 4.1Å; F119-Y148 AromaticContact CD2-CE1 3.84Å; F119-Y148 HydrophobicContact CD2-CE1 3.84Å; F119-Y148 AromaticContact CD2-CZ 3.78Å; F119-Y148 HydrophobicContact CG-CE1 4.26Å
120	V	98.9	Very high	97.1	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	135.6	167.3	177.2	0	0	0	0	108	C83 L84 L85 L122 P149 F151 E167 A168 R171	C83-V120 PolarHBondContact O-N 2.89Å; L84-V120 WeakPolarHBondContact CA-O 2.99Å; L84-V120 HydrophobicContact CD2-CB 3.6Å; L84-V120 HydrophobicContact CD2-CG1 4.14Å; L84-V120 HydrophobicContact CD2-CG2 4.29Å; L85-V120 PolarHBondContact N-O 3.22Å; V120-L122 HydrophobicContact CG1-CD2 3.96Å; V120-P149 HydrophobicContact CG1-CB 4.37Å; V120-P149 HydrophobicContact CG2-CG 4.42Å; V120-F151 HydrophobicContact CG1-CD2 3.81Å; V120-F151 HydrophobicContact CG1-CE2 4.06Å; V120-E167 HydrophobicContact CG2-CG 4.21Å; V120-A168 HydrophobicContact CG2-CB 4.37Å; V120-R171 HydrophobicContact CG2-CG 4.04Å
121	I	98.9	Very high	97.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	128.5	-174	-47.4	-54.2	0	0	0	109.8	L85 F87 L98 W141 C142 Y148 P149 Y150 F151	L85-I121 HydrophobicContact CB-CD1 3.78Å; L85-I121 HydrophobicContact CD1-CD1 3.83Å; L85-I121 HydrophobicContact CG-CD1 4.33Å; L85-I121 WeakPolarHBondContact O-CA 3.2Å; F87-I121 HydrophobicContact CD1-CG2 4.36Å; F87-I121 HydrophobicContact CE1-CG2 4.13Å; L98-I121 HydrophobicContact CD1-CG2 4.07Å; I121-W141 HydrophobicContact CD1-CH2 4.36Å; I121-W141 HydrophobicContact CD1-CZ3 3.71Å; I121-W141 HydrophobicContact CG1-CZ3 3.94Å; I121-C142 VanDerWaalsContact CG1-SG 3.52Å; I121-Y148 HydrophobicContact CD1-CD2 4.02Å; I121-Y148 HydrophobicContact CD1-CG 4.43Å; I121-Y148 HydrophobicContact CG1-CD2 4.18Å; I121-Y148 HydrophobicContact CG1-CG 4.36Å; I121-P149 PolarHBondContact N-O 2.92Å; I121-Y150 HydrophobicContact CB-CD2 4.15Å; I121-Y150 HydrophobicContact CG2-CD2 4.07Å; I121-Y150 WeakPolarHBondContact O-CA 3.12Å; I121-Y150 WeakPolarHBondContact O-CD2 3.48Å; I121-F151 PolarHBondContact O-N 2.89Å
122	L	99	Very high	97.2	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	114.6	-177.4	-50.8	-174.6	0	0	0	110.5	L23 L84 L85 T86 F87 V120 F151 T153 A164	L23-L122 HydrophobicContact CD1-CD1 4Å; L84-L122 HydrophobicContact CB-CD1 4.27Å; L84-L122 HydrophobicContact CD1-CD1 4.3Å; L85-L122 PolarHBondContact O-N 2.99Å; T86-L122 WeakPolarHBondContact CA-O 3.31Å; T86-L122 HydrophobicContact CG2-CB 4.17Å; F87-L122 VanDerWaalsContact CD1-O 3.25Å; F87-L122 WeakPolarHBondContact CD1-O 3.44Å; F87-L122 PolarHBondContact N-O 3.21Å; V120-L122 HydrophobicContact CG1-CD2 3.96Å; L122-F151 WeakPolarHBondContact CA-O 3.41Å; L122-F151 HydrophobicContact CD2-CB 4.04Å; L122-T153 HydrophobicContact CD2-CG2 4.41Å; L122-A164 HydrophobicContact CD2-CB 3.6Å
123	G	98.9	Very high	97.4	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	94.3	166.9	0	0	0	0	0	109.2	F87 F151 E152 T153	F87-G123 VanDerWaalsContact CE1-CA 3.4Å; F87-G123 VanDerWaalsContact CZ-CA 3.41Å; G123-F151 PolarHBondContact N-O 3.31Å; G123-E152 CarbonylContact O-C 3.54Å; G123-E152 WeakPolarHBondContact O-CA 3.43Å; G123-T153 PolarHBondContact O-N 2.9Å
124	N	98.9	Very high	97.6	Very high	3 Å²	3	49 Å²	49	2%	0.016	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	169	-173.5	-170.7	35.5	0	0	0	112.9	V18 L23 T86 F87 S88 V89 T153 A155	V18-N124 PolarHBondContact O-ND2 3.27Å; L23-N124 HydrophobicContact CD1-CB 4.15Å; T86-N124 HydrophobicContact CG2-CB 4.11Å; F87-N124 PolarHBondContact O-N 3.44Å; S88-N124 WeakPolarHBondContact CA-O 3.46Å; V89-N124 WeakPolarHBondContact CG1-O 3.4Å; V89-N124 WeakPolarHBondContact CG2-O 3.4Å; V89-N124 PolarHBondContact N-O 2.97Å; N124-T153 CarbonylContact C-O 3.56Å; N124-T153 VanDerWaalsContact C-O 3.3Å; N124-T153 VanDerWaalsContact CA-O 3.22Å; N124-T153 WeakPolarHBondContact CA-O 3.17Å; N124-T153 WeakPolarHBondContact CA-OG1 3.25Å; N124-T153 PolarHBondContact OD1-O 3.27Å; N124-T153 PolarHBondContact OD1-OG1 3.35Å; N124-A155 PolarHBondContact OD1-N 3.34Å
125	K	98.5	Very high	97.8	Very high	50 Å²	50	49.1 Å²	49.1	22%	0.217	24%	0.239	C	C	.	.			trans	65.5	39	-179.7	-49.4	-166.6	-157.2	148.5	0	113.8	G17 S88 V89 D90 D127 I128 T153	G17-K125 WeakPolarHBondContact O-CE 3.44Å; G17-K125 PolarHBondContact O-NZ 3.21Å; S88-K125 WeakPolarHBondContact OG-CD 3.46Å; S88-K125 WeakPolarHBondContact OG-CE 3.35Å; S88-K125 WeakPolarHBondContact OG-CG 3.43Å; S88-K125 PolarHBondContact OG-NZ 3.32Å; V89-K125 VanDerWaalsContact CG2-O 3.3Å; V89-K125 WeakPolarHBondContact CG2-O 3.36Å; D90-K125 IonicContact OD1-NZ 2.9Å; K125-D127 WeakPolarHBondContact CA-OD1 3.48Å; K125-D127 PolarHBondContact O-N 3.27Å; K125-D127 VanDerWaalsContact O-N 3.09Å; K125-I128 HydrophobicContact CB-CD1 3.83Å; K125-I128 HydrophobicContact CB-CG1 4.18Å; K125-I128 HydrophobicContact CD-CD1 3.72Å; K125-I128 HydrophobicContact CG-CD1 4.45Å; K125-I128 WeakPolarHBondContact O-CB 3.22Å; K125-I128 PolarHBondContact O-N 2.94Å; K125-T153 PolarHBondContact N-O 2.86Å
126	T	98.6	Very high	98	Very high	32 Å²	32	47.5 Å²	47.5	20%	0.196	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-10.7	175.2	59.1	0	0	0	0	113.3	V89 I128 E152 T153 S154	V89-T126 HydrophobicContact CG1-CG2 4.13Å; T126-I128 PolarHBondContact O-N 3.41Å; T126-E152 HydrophobicContact CG2-CB 3.72Å; T126-E152 HydrophobicContact CG2-CG 4.49Å; T126-T153 WeakPolarHBondContact CG2-O 3.42Å; T126-T153 PolarHBondContact N-O 3.14Å; T126-T153 VanDerWaalsContact N-O 3.12Å; T126-T153 PolarHBondContact OG1-O 3.14Å; T126-S154 WeakPolarHBondContact OG1-CB 3.46Å
127	D	98.1	Very high	98.3	Very high	46 Å²	46	50 Å²	50	25%	0.246	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-18	168.2	70	-78.2	0	0	0	113.4	K125 S154 K156	K125-D127 WeakPolarHBondContact CA-OD1 3.48Å; K125-D127 PolarHBondContact O-N 3.27Å; K125-D127 VanDerWaalsContact O-N 3.09Å; D127-S154 PolarHBondContact OD1-OG 3.3Å; D127-K156 HydrophobicContact CB-CD 4.06Å; D127-K156 VanDerWaalsContact CG-CD 3.48Å; D127-K156 WeakPolarHBondContact OD2-CD 3.24Å; D127-K156 IonicContact OD2-NZ 3.6Å; D127-K156 PolarHBondContact OD2-NZ 3.45Å
128	I	97.2	Very high	98.3	Very high	44 Å²	44	48.6 Å²	48.6	23%	0.226	23%	0.234	C	C	.	.			trans	-84.9	126.2	174.6	-58.6	177.6	0	0	0	109.1	D90 K125 T126	D90-I128 HydrophobicContact CB-CB 4.38Å; D90-I128 HydrophobicContact CB-CD1 4.2Å; D90-I128 HydrophobicContact CB-CG2 3.86Å; D90-I128 VanDerWaalsContact OD2-CD1 3.23Å; D90-I128 WeakPolarHBondContact OD2-CD1 3.37Å; K125-I128 HydrophobicContact CB-CD1 3.83Å; K125-I128 HydrophobicContact CB-CG1 4.18Å; K125-I128 HydrophobicContact CD-CD1 3.72Å; K125-I128 HydrophobicContact CG-CD1 4.45Å; K125-I128 WeakPolarHBondContact O-CB 3.22Å; K125-I128 PolarHBondContact O-N 2.94Å; T126-I128 PolarHBondContact O-N 3.41Å
129	K	94.7	Very high	98.3	Very high	185 Å²	185	53 Å²	53	80%	0.804	25%	0.253	S	S	*	.	S	Bend	trans	-80.9	-33.5	-174.9	-63.9	-175.2	-179.8	-179.2	0	112.5	R131	K129-R131 PolarHBondContact O-N 2.93Å
130	E	96.9	Very high	98.3	Very high	145 Å²	145	55.1 Å²	55.1	68%	0.678	27%	0.271	S	S	*	.	S	Bend	trans	-78.1	69.6	-179	-62.4	73.2	-158.9	0	0	111.1
131	R	98.1	Very high	98.3	Very high	83 Å²	83	56.7 Å²	56.7	31%	0.313	28%	0.277	S	S	.	.			trans	-72.4	141.7	-179.7	-58.8	-179.4	65.3	120.8	-3.3	111.5	V89 K129 V133 E152	V89-R131 HydrophobicContact CB-CG 4.41Å; V89-R131 VanDerWaalsContact CG1-NH2 3.3Å; V89-R131 HydrophobicContact CG2-CG 4.1Å; V89-R131 CarbonylContact O-C 3.3Å; V89-R131 WeakPolarHBondContact O-CA 3.23Å; K129-R131 PolarHBondContact O-N 2.93Å; R131-V133 PolarHBondContact NE-O 3.43Å; R131-V133 PolarHBondContact NH2-O 2.91Å; R131-E152 IonicContact CZ-OE1 2.88Å; R131-E152 IonicContact CZ-OE2 3.51Å; R131-E152 IonicContact NH1-OE1 3.55Å; R131-E152 IonicContact NH1-OE2 3.5Å; R131-E152 PolarHBondContact NH1-OE2 3.3Å; R131-E152 IonicContact NH2-OE1 3.54Å; R131-E152 PolarHBondContact NH2-OE1 3.24Å; R131-E152 IonicContact NH2-OE2 2.71Å
132	Q	98.7	Very high	98.3	Very high	113 Å²	113	56.9 Å²	56.9	53%	0.528	28%	0.278	S	S	.	.	S	Bend	trans	-106	-17.2	169.8	-60.7	-173.9	5.4	0	0	112.8	V89 D90 S92	V89-Q132 PolarHBondContact O-N 3.01Å; D90-Q132 WeakPolarHBondContact O-CG 3.44Å; D90-Q132 PolarHBondContact O-NE2 2.75Å; D90-Q132 VanDerWaalsContact O-NE2 3.1Å; D90-Q132 PolarHBondContact O-OE1 3.32Å; S92-Q132 PolarHBondContact OG-OE1 3.47Å
133	V	98.7	Very high	98.3	Very high	1 Å²	1	64 Å²	64	1%	0.006	31%	0.309	C	S	.	.	S	Bend	trans	-121.7	123.4	178.3	-175	0	0	0	0	109.1	F87 V89 F95 R131 A138	F87-V133 HydrophobicContact CD2-CG2 4.42Å; F87-V133 HydrophobicContact CE2-CB 3.92Å; F87-V133 HydrophobicContact CE2-CG1 3.75Å; F87-V133 HydrophobicContact CE2-CG2 4.21Å; F87-V133 HydrophobicContact CZ-CG1 4.19Å; V89-V133 PolarHBondContact O-N 2.99Å; V89-V133 VanDerWaalsContact O-N 3.1Å; F95-V133 HydrophobicContact CB-CG1 4.37Å; F95-V133 HydrophobicContact CB-CG2 3.68Å; F95-V133 HydrophobicContact CD1-CG1 3.9Å; F95-V133 HydrophobicContact CD1-CG2 4.18Å; F95-V133 HydrophobicContact CD2-CG1 4.06Å; F95-V133 HydrophobicContact CE1-CG1 4.16Å; F95-V133 HydrophobicContact CE2-CG1 4.32Å; F95-V133 HydrophobicContact CG-CG1 3.84Å; F95-V133 HydrophobicContact CG-CG2 4.02Å; F95-V133 HydrophobicContact CZ-CG1 4.35Å; R131-V133 PolarHBondContact NE-O 3.43Å; R131-V133 PolarHBondContact NH2-O 2.91Å; V133-A138 HydrophobicContact CG1-CB 4.35Å
134	S	98.3	Very high	98.2	Very high	47 Å²	47	70.2 Å²	70.2	33%	0.329	34%	0.343	S	S	.	.			trans	-79.6	157.9	177.6	97.7	0	0	0	0	111.6	E136 E137 A138	S134-E136 VanDerWaalsContact C-N 3.27Å; S134-E136 VanDerWaalsContact CB-OE2 3.26Å; S134-E136 WeakPolarHBondContact CB-OE2 3.35Å; S134-E136 PolarHBondContact O-N 2.97Å; S134-E136 PolarHBondContact OG-N 2.87Å; S134-E136 PolarHBondContact OG-OE2 2.78Å; S134-E137 PolarHBondContact O-N 2.92Å; S134-E137 PolarHBondContact OG-N 2.9Å; S134-E137 VanDerWaalsContact OG-N 3.14Å; S134-A138 PolarHBondContact O-N 3.12Å; S134-A138 VanDerWaalsContact O-N 3.12Å
135	T	98.5	Very high	98.1	Very high	41 Å²	41	72.4 Å²	72.4	25%	0.252	35%	0.354	S	S	.	.	H	α-helix	trans	-60.4	-40.8	175.2	-56.7	0	0	0	0	110.9	A138 Q139 Y150 E152	T135-A138 PolarHBondContact O-N 3.43Å; T135-Q139 HydrophobicContact CG2-CG 4.4Å; T135-Q139 WeakPolarHBondContact O-CB 3.1Å; T135-Q139 VanDerWaalsContact O-CG 3.24Å; T135-Q139 WeakPolarHBondContact O-CG 3.47Å; T135-Q139 PolarHBondContact O-N 2.85Å; T135-Y150 HydrophobicContact CG2-CE1 4.17Å; T135-E152 PolarHBondContact OG1-OE1 2.9Å
136	E	98.6	Very high	98	Very high	129 Å²	129	72 Å²	72	60%	0.603	36%	0.364	S	S	*	.	H	α-helix	trans	-65.8	-41.1	-179.9	-56.4	72.9	-159.1	0	0	111.7	S134 Q139 A140	S134-E136 VanDerWaalsContact C-N 3.27Å; S134-E136 VanDerWaalsContact CB-OE2 3.26Å; S134-E136 WeakPolarHBondContact CB-OE2 3.35Å; S134-E136 PolarHBondContact O-N 2.97Å; S134-E136 PolarHBondContact OG-N 2.87Å; S134-E136 PolarHBondContact OG-OE2 2.78Å; E136-Q139 PolarHBondContact O-N 3.33Å; E136-A140 VanDerWaalsContact O-CB 3.31Å; E136-A140 WeakPolarHBondContact O-CB 3.24Å; E136-A140 PolarHBondContact O-N 3.26Å
137	E	98.5	Very high	97.9	Very high	88 Å²	88	76.3 Å²	76.3	41%	0.411	39%	0.386	S	S	.	.	H	α-helix	trans	-61.6	-48.2	175.6	-176.7	-176.5	-175.8	0	0	111	F95 S134 A140 W141	F95-E137 HydrophobicContact CE1-CG 3.75Å; F95-E137 WeakPolarHBondContact CE1-OE1 3.46Å; F95-E137 HydrophobicContact CZ-CG 4.12Å; S134-E137 PolarHBondContact O-N 2.92Å; S134-E137 PolarHBondContact OG-N 2.9Å; S134-E137 VanDerWaalsContact OG-N 3.14Å; E137-A140 PolarHBondContact O-N 3.39Å; E137-W141 PolarHBondContact O-N 2.78Å
138	A	98.8	Very high	97.9	Very high	0 Å²	0	75.1 Å²	75.1	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-63.8	-42.3	178	0	0	0	0	0	112.3	F87 F95 V133 S134 T135 W141 C142 Y150	F87-A138 HydrophobicContact CE1-CB 4.34Å; F87-A138 HydrophobicContact CZ-CB 3.81Å; F95-A138 HydrophobicContact CE2-CB 4.08Å; V133-A138 HydrophobicContact CG1-CB 4.35Å; S134-A138 PolarHBondContact O-N 3.12Å; S134-A138 VanDerWaalsContact O-N 3.12Å; T135-A138 PolarHBondContact O-N 3.43Å; A138-W141 PolarHBondContact O-N 3.4Å; A138-C142 PolarHBondContact O-N 3Å; A138-C142 PolarHBondContact O-SG 3.25Å; A138-Y150 HydrophobicContact CB-CD1 4.45Å; A138-Y150 HydrophobicContact CB-CD2 4.35Å; A138-Y150 HydrophobicContact CB-CE1 3.85Å; A138-Y150 HydrophobicContact CB-CE2 3.76Å; A138-Y150 VanDerWaalsContact CB-CZ 3.48Å
139	Q	98.8	Very high	98	Very high	102 Å²	102	74.2 Å²	74.2	48%	0.477	38%	0.375	S	S	.	.	H	α-helix	trans	-63.9	-42.4	176.5	-76.5	174.9	-17.4	0	0	112.4	T135 E136 W141 C142 K143 Y150	T135-Q139 HydrophobicContact CG2-CG 4.4Å; T135-Q139 WeakPolarHBondContact O-CB 3.1Å; T135-Q139 VanDerWaalsContact O-CG 3.24Å; T135-Q139 WeakPolarHBondContact O-CG 3.47Å; T135-Q139 PolarHBondContact O-N 2.85Å; E136-Q139 PolarHBondContact O-N 3.33Å; Q139-W141 VanDerWaalsContact C-N 3.34Å; Q139-W141 PolarHBondContact O-N 3.48Å; Q139-C142 PolarHBondContact O-N 3.17Å; Q139-K143 PolarHBondContact O-N 3.33Å; Q139-Y150 HydrophobicContact CG-CD1 3.71Å; Q139-Y150 HydrophobicContact CG-CE1 4.28Å
140	A	98.8	Very high	98.2	Very high	47 Å²	47	67.1 Å²	67.1	39%	0.388	34%	0.343	S	S	.	.	H	α-helix	trans	-60.2	-45.6	175.7	0	0	0	0	0	110.9	E136 E137 C142 K143 D144	E136-A140 VanDerWaalsContact O-CB 3.31Å; E136-A140 WeakPolarHBondContact O-CB 3.24Å; E136-A140 PolarHBondContact O-N 3.26Å; E137-A140 PolarHBondContact O-N 3.39Å; A140-C142 VanDerWaalsContact C-N 3.34Å; A140-C142 PolarHBondContact O-N 3.44Å; A140-K143 PolarHBondContact O-N 3.06Å; A140-D144 WeakPolarHBondContact O-CB 3.15Å; A140-D144 PolarHBondContact O-N 2.81Å
141	W	98.7	Very high	98.3	Very high	34 Å²	34	62.1 Å²	62.1	13%	0.129	32%	0.319	C	S	.	.	H	α-helix	trans	-59.5	-43.7	175.2	-174	99.6	0	0	0	112.2	F95 L98 S99 I121 E137 A138 Q139 K143 D144 N145 Y148	F95-W141 HydrophobicContact CE2-CB 4.07Å; F95-W141 HydrophobicContact CE2-CG 4.17Å; F95-W141 HydrophobicContact CZ-CB 3.59Å; F95-W141 AromaticContact CZ-CG 3.9Å; F95-W141 HydrophobicContact CZ-CG 3.9Å; L98-W141 HydrophobicContact CB-CH2 3.98Å; L98-W141 HydrophobicContact CB-CZ2 3.76Å; L98-W141 HydrophobicContact CD1-CZ3 4.46Å; S99-W141 PolarHBondContact OG-NE1 3.08Å; I121-W141 HydrophobicContact CD1-CH2 4.36Å; I121-W141 HydrophobicContact CD1-CZ3 3.71Å; I121-W141 HydrophobicContact CG1-CZ3 3.94Å; E137-W141 PolarHBondContact O-N 2.78Å; A138-W141 PolarHBondContact O-N 3.4Å; Q139-W141 VanDerWaalsContact C-N 3.34Å; Q139-W141 PolarHBondContact O-N 3.48Å; W141-K143 VanDerWaalsContact C-N 3.33Å; W141-K143 PolarHBondContact O-N 3.41Å; W141-D144 PolarHBondContact O-N 3.31Å; W141-N145 HydrophobicContact CD2-CB 4.27Å; W141-N145 HydrophobicContact CE3-CB 4.22Å; W141-N145 HydrophobicContact CH2-CB 4.03Å; W141-N145 HydrophobicContact CZ2-CB 4.09Å; W141-N145 HydrophobicContact CZ3-CB 4.09Å; W141-N145 PolarHBondContact NE1-ND2 2.99Å; W141-N145 VanDerWaalsContact O-CB 3.3Å; W141-N145 WeakPolarHBondContact O-CB 3.39Å; W141-N145 PolarHBondContact O-N 2.95Å; W141-N145 PolarHBondContact O-ND2 3.27Å; W141-Y148 HydrophobicContact CZ3-CD2 4.23Å
142	C	98.7	Very high	98.3	Very high	3 Å²	3	60 Å²	60	2%	0.02	31%	0.313	C	S	.	.	H	α-helix	trans	-61.7	-42.1	179	-65.8	0	0	0	0	112	I121 A138 Q139 A140 G146 D147 Y148	I121-C142 VanDerWaalsContact CG1-SG 3.52Å; A138-C142 PolarHBondContact O-N 3Å; A138-C142 PolarHBondContact O-SG 3.25Å; Q139-C142 PolarHBondContact O-N 3.17Å; A140-C142 VanDerWaalsContact C-N 3.34Å; A140-C142 PolarHBondContact O-N 3.44Å; C142-G146 PolarHBondContact O-N 3.4Å; C142-D147 WeakPolarHBondContact O-CA 3.46Å; C142-D147 PolarHBondContact O-N 3.24Å; C142-Y148 WeakPolarHBondContact CB-O 3.41Å; C142-Y148 PolarHBondContact O-N 3.23Å; C142-Y148 VanDerWaalsContact O-N 3.15Å
143	K	98.4	Very high	98.3	Very high	150 Å²	150	54.6 Å²	54.6	65%	0.652	29%	0.288	S	S	*	.	H	α-helix	trans	-61.6	-48.2	175.5	-173.3	177.4	-179.6	179.2	0	111.7	Q139 A140 W141 N145 D147	Q139-K143 PolarHBondContact O-N 3.33Å; A140-K143 PolarHBondContact O-N 3.06Å; W141-K143 VanDerWaalsContact C-N 3.33Å; W141-K143 PolarHBondContact O-N 3.41Å; K143-N145 VanDerWaalsContact C-N 3.31Å; K143-N145 PolarHBondContact O-N 3.44Å; K143-D147 PolarHBondContact O-N 2.99Å
144	D	97.9	Very high	98.3	Very high	132 Å²	132	54.6 Å²	54.6	71%	0.706	29%	0.288	S	S	*	.	H	α-helix	trans	-74	-19.7	-174.6	-68.4	-14.3	0	0	0	113.6	A140 W141	A140-D144 WeakPolarHBondContact O-CB 3.15Å; A140-D144 PolarHBondContact O-N 2.81Å; W141-D144 PolarHBondContact O-N 3.31Å
145	N	96.8	Very high	98.3	Very high	49 Å²	49	52.5 Å²	52.5	26%	0.262	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	4.8	-174.1	-73.2	-91.2	0	0	0	114.7	K102 W141 K143 Y148	K102-N145 PolarHBondContact NZ-O 3.27Å; W141-N145 HydrophobicContact CD2-CB 4.27Å; W141-N145 HydrophobicContact CE3-CB 4.22Å; W141-N145 HydrophobicContact CH2-CB 4.03Å; W141-N145 HydrophobicContact CZ2-CB 4.09Å; W141-N145 HydrophobicContact CZ3-CB 4.09Å; W141-N145 PolarHBondContact NE1-ND2 2.99Å; W141-N145 VanDerWaalsContact O-CB 3.3Å; W141-N145 WeakPolarHBondContact O-CB 3.39Å; W141-N145 PolarHBondContact O-N 2.95Å; W141-N145 PolarHBondContact O-ND2 3.27Å; K143-N145 VanDerWaalsContact C-N 3.31Å; K143-N145 PolarHBondContact O-N 3.44Å; N145-Y148 HydrophobicContact CB-CE2 4.17Å; N145-Y148 WeakPolarHBondContact O-CE2 3.23Å; N145-Y148 PolarHBondContact O-OH 2.86Å
146	G	95.7	Very high	98.3	Very high	40 Å²	40	55.8 Å²	55.8	41%	0.412	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	143.1	16	176.3	0	0	0	0	0	115.6	C142 Y148	C142-G146 PolarHBondContact O-N 3.4Å; G146-Y148 VanDerWaalsContact C-N 3.35Å; G146-Y148 PolarHBondContact O-N 3.24Å
147	D	97	Very high	98.3	Very high	123 Å²	123	53.5 Å²	53.5	66%	0.658	28%	0.276	S	S	*	.			trans	54.3	48.4	-177.3	-159.7	37.1	0	0	0	112.8	C142 K143	C142-D147 WeakPolarHBondContact O-CA 3.46Å; C142-D147 PolarHBondContact O-N 3.24Å; K143-D147 PolarHBondContact O-N 2.99Å
148	Y	98.5	Very high	98.3	Very high	21 Å²	21	51.6 Å²	51.6	8%	0.082	27%	0.272	C	S	.	.			trans	-78.8	142.7	-174.9	-57.9	-46.3	0	0	0	112.7	K102 F119 I121 W141 C142 N145 G146 Y150	K102-Y148 HydrophobicContact CD-CE2 4.32Å; K102-Y148 WeakPolarHBondContact CE-OH 3.09Å; K102-Y148 PolarHBondContact NZ-OH 2.93Å; F119-Y148 HydrophobicContact CB-CD1 3.8Å; F119-Y148 HydrophobicContact CB-CD2 4.37Å; F119-Y148 HydrophobicContact CB-CE1 3.82Å; F119-Y148 HydrophobicContact CB-CE2 4.35Å; F119-Y148 HydrophobicContact CB-CG 4.1Å; F119-Y148 AromaticContact CD2-CE1 3.84Å; F119-Y148 HydrophobicContact CD2-CE1 3.84Å; F119-Y148 AromaticContact CD2-CZ 3.78Å; F119-Y148 HydrophobicContact CG-CE1 4.26Å; I121-Y148 HydrophobicContact CD1-CD2 4.02Å; I121-Y148 HydrophobicContact CD1-CG 4.43Å; I121-Y148 HydrophobicContact CG1-CD2 4.18Å; I121-Y148 HydrophobicContact CG1-CG 4.36Å; W141-Y148 HydrophobicContact CZ3-CD2 4.23Å; C142-Y148 WeakPolarHBondContact CB-O 3.41Å; C142-Y148 PolarHBondContact O-N 3.23Å; C142-Y148 VanDerWaalsContact O-N 3.15Å; N145-Y148 HydrophobicContact CB-CE2 4.17Å; N145-Y148 WeakPolarHBondContact O-CE2 3.23Å; N145-Y148 PolarHBondContact O-OH 2.86Å; G146-Y148 VanDerWaalsContact C-N 3.35Å; G146-Y148 PolarHBondContact O-N 3.24Å; Y148-Y150 PolarHBondContact O-N 3.45Å
149	P	98.7	Very high	98.3	Very high	25 Å²	25	54.2 Å²	54.2	16%	0.162	29%	0.289	C	S	.	.			trans	-58.7	133.4	167.2	-19.8	30.8	0	0	0	110.8	V120 I121 F151 E167 R171	V120-P149 HydrophobicContact CG1-CB 4.37Å; V120-P149 HydrophobicContact CG2-CG 4.42Å; I121-P149 PolarHBondContact N-O 2.92Å; P149-F151 HydrophobicContact CB-CE2 3.94Å; P149-E167 HydrophobicContact CB-CG 3.9Å; P149-E167 HydrophobicContact CG-CG 4.04Å; P149-R171 HydrophobicContact CG-CG 4.28Å
150	Y	98.9	Very high	98.3	Very high	36 Å²	36	53.1 Å²	53.1	14%	0.141	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	129.5	178.6	174.3	-120.1	0	0	0	110.7	F87 I121 T135 A138 Q139 Y148 E152	F87-Y150 AromaticContact CE1-CE2 3.76Å; F87-Y150 HydrophobicContact CE1-CE2 3.76Å; F87-Y150 AromaticContact CZ-CE2 3.88Å; F87-Y150 HydrophobicContact CZ-CE2 3.88Å; I121-Y150 HydrophobicContact CB-CD2 4.15Å; I121-Y150 HydrophobicContact CG2-CD2 4.07Å; I121-Y150 WeakPolarHBondContact O-CA 3.12Å; I121-Y150 WeakPolarHBondContact O-CD2 3.48Å; T135-Y150 HydrophobicContact CG2-CE1 4.17Å; A138-Y150 HydrophobicContact CB-CD1 4.45Å; A138-Y150 HydrophobicContact CB-CD2 4.35Å; A138-Y150 HydrophobicContact CB-CE1 3.85Å; A138-Y150 HydrophobicContact CB-CE2 3.76Å; A138-Y150 VanDerWaalsContact CB-CZ 3.48Å; Q139-Y150 HydrophobicContact CG-CD1 3.71Å; Q139-Y150 HydrophobicContact CG-CE1 4.28Å; Y148-Y150 PolarHBondContact O-N 3.45Å; Y150-E152 HydrophobicContact CE1-CG 3.75Å; Y150-E152 PolarHBondContact OH-OE1 3.38Å
151	F	98.9	Very high	98.3	Very high	40 Å²	40	51 Å²	51	18%	0.175	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	125.1	174.2	-66.7	-98	0	0	0	111	V120 I121 L122 G123 P149 T153 N160 A163 A164 E167	V120-F151 HydrophobicContact CG1-CD2 3.81Å; V120-F151 HydrophobicContact CG1-CE2 4.06Å; I121-F151 PolarHBondContact O-N 2.89Å; L122-F151 WeakPolarHBondContact CA-O 3.41Å; L122-F151 HydrophobicContact CD2-CB 4.04Å; G123-F151 PolarHBondContact N-O 3.31Å; P149-F151 HydrophobicContact CB-CE2 3.94Å; F151-T153 HydrophobicContact CB-CG2 3.99Å; F151-N160 HydrophobicContact CD1-CB 4.35Å; F151-A163 HydrophobicContact CD1-CB 4.34Å; F151-A163 HydrophobicContact CE1-CB 3.96Å; F151-A164 HydrophobicContact CB-CB 3.94Å; F151-A164 HydrophobicContact CD1-CB 4.25Å; F151-A164 HydrophobicContact CD2-CB 4.17Å; F151-A164 HydrophobicContact CG-CB 3.85Å; F151-E167 HydrophobicContact CE2-CB 3.68Å; F151-E167 HydrophobicContact CE2-CG 3.71Å; F151-E167 HydrophobicContact CZ-CB 3.7Å; F151-E167 HydrophobicContact CZ-CG 3.94Å
152	E	98.8	Very high	98.3	Very high	39 Å²	39	51.6 Å²	51.6	18%	0.182	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	119.1	161.8	-65	-120.4	146.2	0	0	108.3	G123 T126 R131 T135 Y150 N160	G123-E152 CarbonylContact O-C 3.54Å; G123-E152 WeakPolarHBondContact O-CA 3.43Å; T126-E152 HydrophobicContact CG2-CB 3.72Å; T126-E152 HydrophobicContact CG2-CG 4.49Å; R131-E152 IonicContact CZ-OE1 2.88Å; R131-E152 IonicContact CZ-OE2 3.51Å; R131-E152 IonicContact NH1-OE1 3.55Å; R131-E152 IonicContact NH1-OE2 3.5Å; R131-E152 PolarHBondContact NH1-OE2 3.3Å; R131-E152 IonicContact NH2-OE1 3.54Å; R131-E152 PolarHBondContact NH2-OE1 3.24Å; R131-E152 IonicContact NH2-OE2 2.71Å; T135-E152 PolarHBondContact OG1-OE1 2.9Å; Y150-E152 HydrophobicContact CE1-CG 3.75Å; Y150-E152 PolarHBondContact OH-OE1 3.38Å; E152-N160 VanDerWaalsContact O-CB 3.23Å; E152-N160 WeakPolarHBondContact O-CB 3.15Å; E152-N160 PolarHBondContact O-ND2 2.99Å
153	T	98.9	Very high	98.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.294	C	S	.	.			trans	-125	154.4	-175.4	56.6	0	0	0	0	112.3	L122 G123 N124 K125 T126 F151 T159 N160 A164	L122-T153 HydrophobicContact CD2-CG2 4.41Å; G123-T153 PolarHBondContact O-N 2.9Å; N124-T153 CarbonylContact C-O 3.56Å; N124-T153 VanDerWaalsContact C-O 3.3Å; N124-T153 VanDerWaalsContact CA-O 3.22Å; N124-T153 WeakPolarHBondContact CA-O 3.17Å; N124-T153 WeakPolarHBondContact CA-OG1 3.25Å; N124-T153 PolarHBondContact OD1-O 3.27Å; N124-T153 PolarHBondContact OD1-OG1 3.35Å; K125-T153 PolarHBondContact N-O 2.86Å; T126-T153 WeakPolarHBondContact CG2-O 3.42Å; T126-T153 PolarHBondContact N-O 3.14Å; T126-T153 VanDerWaalsContact N-O 3.12Å; T126-T153 PolarHBondContact OG1-O 3.14Å; F151-T153 HydrophobicContact CB-CG2 3.99Å; T153-T159 VanDerWaalsContact CA-O 3.28Å; T153-T159 WeakPolarHBondContact CA-O 3.4Å; T153-N160 HydrophobicContact CG2-CB 4.16Å; T153-A164 HydrophobicContact CG2-CB 4.08Å
154	S	98.8	Very high	98.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.263	C	S	.	.			trans	-136.9	110.4	166.4	162.1	0	0	0	0	108.6	T126 D127 K156 D157 S158 T159	T126-S154 WeakPolarHBondContact OG1-CB 3.46Å; D127-S154 PolarHBondContact OD1-OG 3.3Å; S154-K156 PolarHBondContact O-N 3.41Å; S154-K156 PolarHBondContact OG-N 2.81Å; S154-D157 WeakPolarHBondContact CB-OD1 3.38Å; S154-D157 PolarHBondContact OG-N 3.25Å; S154-D157 PolarHBondContact OG-OD1 3.26Å; S154-D157 PolarHBondContact OG-OD2 2.9Å; S154-D157 VanDerWaalsContact OG-OD2 3.05Å; S154-S158 CarbonylContact O-C 3.42Å; S154-S158 WeakPolarHBondContact O-CA 3.48Å; S154-S158 PolarHBondContact O-N 2.79Å; S154-T159 PolarHBondContact N-O 3.47Å; S154-T159 VanDerWaalsContact N-O 3.08Å; S154-T159 PolarHBondContact O-N 3.4Å
155	A	98.7	Very high	98.4	Very high	3 Å²	3	39.9 Å²	39.9	3%	0.025	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-25.4	172.1	0	0	0	0	0	112.4	L23 R26 F32 N124	L23-A155 HydrophobicContact CD2-CB 3.99Å; L23-A155 HydrophobicContact CG-CB 4.19Å; R26-A155 HydrophobicContact CB-CB 4.46Å; R26-A155 PolarHBondContact NE-O 3.11Å; F32-A155 HydrophobicContact CD2-CB 4.09Å; F32-A155 WeakPolarHBondContact CD2-O 3.36Å; F32-A155 HydrophobicContact CE2-CB 4.23Å; N124-A155 PolarHBondContact OD1-N 3.34Å
156	K	98.3	Very high	98.5	Very high	110 Å²	110	40.4 Å²	40.4	48%	0.478	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-51.9	-176.2	-175.3	-175.8	-177.7	179	0	111.9	R26 F32 D127 S154	R26-K156 PolarHBondContact NH2-O 3.35Å; F32-K156 HydrophobicContact CD1-CG 4.26Å; F32-K156 HydrophobicContact CD2-CB 4.34Å; F32-K156 HydrophobicContact CE1-CB 4.16Å; F32-K156 HydrophobicContact CE1-CG 3.87Å; F32-K156 HydrophobicContact CE2-CB 3.97Å; F32-K156 HydrophobicContact CZ-CB 3.87Å; F32-K156 HydrophobicContact CZ-CG 4.04Å; D127-K156 HydrophobicContact CB-CD 4.06Å; D127-K156 VanDerWaalsContact CG-CD 3.48Å; D127-K156 WeakPolarHBondContact OD2-CD 3.24Å; D127-K156 IonicContact OD2-NZ 3.6Å; D127-K156 PolarHBondContact OD2-NZ 3.45Å; S154-K156 PolarHBondContact O-N 3.41Å; S154-K156 PolarHBondContact OG-N 2.81Å
157	D	98	Very high	98.6	Very high	82 Å²	82	40.1 Å²	40.1	44%	0.439	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-1.1	-178.8	59.3	40.1	0	0	0	113.9	S154 T159	S154-D157 WeakPolarHBondContact CB-OD1 3.38Å; S154-D157 PolarHBondContact OG-N 3.25Å; S154-D157 PolarHBondContact OG-OD1 3.26Å; S154-D157 PolarHBondContact OG-OD2 2.9Å; S154-D157 VanDerWaalsContact OG-OD2 3.05Å; D157-T159 VanDerWaalsContact OD1-CB 3.23Å; D157-T159 WeakPolarHBondContact OD1-CB 3.32Å; D157-T159 PolarHBondContact OD1-N 2.85Å; D157-T159 PolarHBondContact OD1-OG1 3.34Å
158	S	98.3	Very high	98.7	Very high	47 Å²	47	34.2 Å²	34.2	33%	0.329	19%	0.187	S	C	.	.			trans	76.5	11.8	179.8	-30	0	0	0	0	115.4	R26 S154 N160 V161	R26-S158 VanDerWaalsContact CD-OG 3.24Å; R26-S158 WeakPolarHBondContact CD-OG 3.5Å; R26-S158 PolarHBondContact NE-OG 3.29Å; S154-S158 CarbonylContact O-C 3.42Å; S154-S158 WeakPolarHBondContact O-CA 3.48Å; S154-S158 PolarHBondContact O-N 2.79Å; S158-N160 PolarHBondContact O-N 2.81Å; S158-N160 VanDerWaalsContact O-N 3.17Å; S158-V161 PolarHBondContact O-N 2.92Å
159	T	98.8	Very high	98.7	Very high	56 Å²	56	33.2 Å²	33.2	34%	0.344	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	122.6	177.1	-63.3	0	0	0	0	111	T153 S154 D157 V161	T153-T159 VanDerWaalsContact CA-O 3.28Å; T153-T159 WeakPolarHBondContact CA-O 3.4Å; S154-T159 PolarHBondContact N-O 3.47Å; S154-T159 VanDerWaalsContact N-O 3.08Å; S154-T159 PolarHBondContact O-N 3.4Å; D157-T159 VanDerWaalsContact OD1-CB 3.23Å; D157-T159 WeakPolarHBondContact OD1-CB 3.32Å; D157-T159 PolarHBondContact OD1-N 2.85Å; D157-T159 PolarHBondContact OD1-OG1 3.34Å; T159-V161 PolarHBondContact O-N 2.91Å
160	N	98.8	Very high	98.7	Very high	78 Å²	78	35.3 Å²	35.3	42%	0.417	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	10.2	177.7	-62.7	-30.8	0	0	0	117	F151 E152 T153 S158 A162 A163 A164	F151-N160 HydrophobicContact CD1-CB 4.35Å; E152-N160 VanDerWaalsContact O-CB 3.23Å; E152-N160 WeakPolarHBondContact O-CB 3.15Å; E152-N160 PolarHBondContact O-ND2 2.99Å; T153-N160 HydrophobicContact CG2-CB 4.16Å; S158-N160 PolarHBondContact O-N 2.81Å; S158-N160 VanDerWaalsContact O-N 3.17Å; N160-A162 PolarHBondContact O-N 3.01Å; N160-A163 PolarHBondContact O-N 3.25Å; N160-A164 WeakPolarHBondContact O-CB 3.39Å; N160-A164 PolarHBondContact O-N 3.33Å
161	V	98.9	Very high	98.6	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.024	20%	0.196	C	C	.	.	H	α-helix	trans	-61.4	-50.6	-176.3	177.3	0	0	0	0	110.5	L23 R26 Y27 S158 T159 A164 F165	L23-V161 HydrophobicContact CD2-CG1 4.43Å; L23-V161 HydrophobicContact CD2-CG2 3.83Å; R26-V161 HydrophobicContact CB-CG1 4.48Å; R26-V161 HydrophobicContact CG-CB 4.33Å; R26-V161 HydrophobicContact CG-CG1 4.05Å; R26-V161 HydrophobicContact CG-CG2 4.08Å; Y27-V161 HydrophobicContact CD2-CG1 4.27Å; Y27-V161 HydrophobicContact CG-CG1 4.41Å; S158-V161 PolarHBondContact O-N 2.92Å; T159-V161 PolarHBondContact O-N 2.91Å; V161-A164 PolarHBondContact O-N 2.68Å; V161-F165 HydrophobicContact CG1-CD2 4.05Å; V161-F165 HydrophobicContact CG1-CE2 4.04Å; V161-F165 VanDerWaalsContact O-CD2 3.32Å; V161-F165 WeakPolarHBondContact O-CD2 3.28Å; V161-F165 PolarHBondContact O-N 3.03Å
162	A	98.6	Very high	98.6	Very high	46 Å²	46	36 Å²	36	38%	0.38	19%	0.189	S	C	.	.	H	α-helix	trans	-62.3	-46.7	179.5	0	0	0	0	0	112.6	Y27 N160 A164 F165 E166	Y27-A162 HydrophobicContact CD2-CB 4.37Å; Y27-A162 HydrophobicContact CE2-CB 4.03Å; N160-A162 PolarHBondContact O-N 3.01Å; A162-A164 VanDerWaalsContact C-N 3.3Å; A162-A164 PolarHBondContact O-N 3.44Å; A162-F165 PolarHBondContact O-N 3Å; A162-E166 WeakPolarHBondContact O-CB 3.04Å; A162-E166 WeakPolarHBondContact O-CG 3.08Å; A162-E166 PolarHBondContact O-N 3.36Å
163	A	98.8	Very high	98.4	Very high	36 Å²	36	35 Å²	35	30%	0.298	19%	0.185	S	C	.	.	H	α-helix	trans	-57.9	-41.1	179.4	0	0	0	0	0	112.5	F151 N160 E167	F151-A163 HydrophobicContact CD1-CB 4.34Å; F151-A163 HydrophobicContact CE1-CB 3.96Å; N160-A163 PolarHBondContact O-N 3.25Å; A163-E167 WeakPolarHBondContact O-CB 3.34Å; A163-E167 PolarHBondContact O-N 2.89Å
164	A	98.9	Very high	98.2	Very high	1 Å²	1	37 Å²	37	1%	0.008	20%	0.201	C	C	.	.	H	α-helix	trans	-65.3	-44.3	178.6	0	0	0	0	0	113.2	L122 F151 T153 N160 V161 A162 E167 A168	L122-A164 HydrophobicContact CD2-CB 3.6Å; F151-A164 HydrophobicContact CB-CB 3.94Å; F151-A164 HydrophobicContact CD1-CB 4.25Å; F151-A164 HydrophobicContact CD2-CB 4.17Å; F151-A164 HydrophobicContact CG-CB 3.85Å; T153-A164 HydrophobicContact CG2-CB 4.08Å; N160-A164 WeakPolarHBondContact O-CB 3.39Å; N160-A164 PolarHBondContact O-N 3.33Å; V161-A164 PolarHBondContact O-N 2.68Å; A162-A164 VanDerWaalsContact C-N 3.3Å; A162-A164 PolarHBondContact O-N 3.44Å; A164-E167 PolarHBondContact O-N 2.88Å; A164-A168 PolarHBondContact O-N 2.87Å
165	F	98.8	Very high	97.9	Very high	1 Å²	1	38.7 Å²	38.7	0%	0.004	21%	0.212	C	C	.	.	H	α-helix	trans	-70.2	-38.5	177.7	-82.3	-80.6	0	0	0	112.1	L12 L23 Y27 M58 I60 L84 V161 A162 E167 A168 V169	L12-F165 HydrophobicContact CD1-CZ 4.4Å; L12-F165 HydrophobicContact CD2-CE1 4.38Å; L12-F165 HydrophobicContact CD2-CZ 4.14Å; L23-F165 HydrophobicContact CB-CE2 4.3Å; L23-F165 HydrophobicContact CB-CZ 4.46Å; Y27-F165 HydrophobicContact CD1-CB 3.8Å; Y27-F165 AromaticContact CD1-CD1 3.88Å; Y27-F165 HydrophobicContact CD1-CD1 3.88Å; Y27-F165 AromaticContact CD1-CD2 3.68Å; Y27-F165 HydrophobicContact CD1-CD2 3.68Å; Y27-F165 HydrophobicContact CD1-CE1 4.37Å; Y27-F165 HydrophobicContact CD1-CE2 4.21Å; Y27-F165 AromaticContact CD1-CG 3.5Å; Y27-F165 HydrophobicContact CD1-CG 3.5Å; Y27-F165 HydrophobicContact CD2-CB 4.13Å; Y27-F165 AromaticContact CD2-CD2 3.9Å; Y27-F165 HydrophobicContact CD2-CD2 3.9Å; Y27-F165 HydrophobicContact CD2-CG 4.23Å; Y27-F165 HydrophobicContact CE1-CB 3.45Å; Y27-F165 VanDerWaalsContact CE1-CB 3.45Å; Y27-F165 HydrophobicContact CE1-CD1 4.1Å; Y27-F165 HydrophobicContact CE1-CD2 4.26Å; Y27-F165 AromaticContact CE1-CG 3.7Å; Y27-F165 HydrophobicContact CE1-CG 3.7Å; Y27-F165 HydrophobicContact CE2-CB 3.84Å; Y27-F165 HydrophobicContact CE2-CD2 4.47Å; Y27-F165 HydrophobicContact CE2-CG 4.41Å; Y27-F165 HydrophobicContact CG-CB 4.1Å; Y27-F165 HydrophobicContact CG-CD1 4.49Å; Y27-F165 AromaticContact CG-CD2 3.45Å; Y27-F165 HydrophobicContact CG-CD2 3.45Å; Y27-F165 VanDerWaalsContact CG-CD2 3.45Å; Y27-F165 AromaticContact CG-CE2 3.96Å; Y27-F165 HydrophobicContact CG-CE2 3.96Å; Y27-F165 AromaticContact CG-CG 3.77Å; Y27-F165 HydrophobicContact CG-CG 3.77Å; Y27-F165 VanDerWaalsContact CZ-CB 3.46Å; M58-F165 HydrophobicContact CE-CB 4.17Å; M58-F165 WeakPolarHBondContact CE-O 3.34Å; M58-F165 HydrophobicContact SD-CB 4.24Å; M58-F165 HydrophobicContact SD-CD1 3.83Å; M58-F165 HydrophobicContact SD-CG 4.46Å; I60-F165 HydrophobicContact CD1-CD1 3.88Å; I60-F165 HydrophobicContact CD1-CE1 3.7Å; I60-F165 HydrophobicContact CD1-CZ 4.44Å; I60-F165 HydrophobicContact CG1-CD1 4.33Å; I60-F165 HydrophobicContact CG1-CE1 4.1Å; I60-F165 HydrophobicContact CG2-CE1 3.8Å; I60-F165 HydrophobicContact CG2-CZ 4.43Å; L84-F165 HydrophobicContact CD1-CD1 3.71Å; L84-F165 HydrophobicContact CD1-CE1 3.44Å; L84-F165 VanDerWaalsContact CD1-CE1 3.44Å; L84-F165 HydrophobicContact CD1-CZ 4.05Å; V161-F165 HydrophobicContact CG1-CD2 4.05Å; V161-F165 HydrophobicContact CG1-CE2 4.04Å; V161-F165 VanDerWaalsContact O-CD2 3.32Å; V161-F165 WeakPolarHBondContact O-CD2 3.28Å; V161-F165 PolarHBondContact O-N 3.03Å; A162-F165 PolarHBondContact O-N 3Å; F165-E167 VanDerWaalsContact C-N 3.31Å; F165-A168 WeakPolarHBondContact O-CB 3.22Å; F165-A168 PolarHBondContact O-N 3.04Å; F165-V169 PolarHBondContact O-N 3.35Å
166	E	98.7	Very high	97.4	Very high	60 Å²	60	42.2 Å²	42.2	28%	0.28	23%	0.228	S	C	.	.	H	α-helix	trans	-65.9	-34.8	174.1	-70.6	171	-159.2	0	0	112	L49 V51 A162 A168 V169 R170	L49-E166 HydrophobicContact CD1-CG 4.12Å; V51-E166 HydrophobicContact CG2-CB 4.18Å; V51-E166 HydrophobicContact CG2-CG 3.99Å; A162-E166 WeakPolarHBondContact O-CB 3.04Å; A162-E166 WeakPolarHBondContact O-CG 3.08Å; A162-E166 PolarHBondContact O-N 3.36Å; E166-A168 VanDerWaalsContact C-N 3.29Å; E166-A168 PolarHBondContact O-N 3.12Å; E166-V169 WeakPolarHBondContact O-CB 3.48Å; E166-V169 PolarHBondContact O-N 3.04Å; E166-V169 VanDerWaalsContact O-N 3.08Å; E166-R170 PolarHBondContact O-N 3.39Å; E166-R170 IonicContact OE2-NH2 3.53Å; E166-R170 PolarHBondContact OE2-NH2 3.49Å
167	E	98.8	Very high	96.9	Very high	34 Å²	34	42.1 Å²	42.1	16%	0.159	23%	0.232	C	C	.	.	H	α-helix	trans	-60.8	-40.5	174.4	-176.4	60.2	-162.6	0	0	111.4	V120 P149 F151 A163 A164 F165 V169 R170 R171	V120-E167 HydrophobicContact CG2-CG 4.21Å; P149-E167 HydrophobicContact CB-CG 3.9Å; P149-E167 HydrophobicContact CG-CG 4.04Å; F151-E167 HydrophobicContact CE2-CB 3.68Å; F151-E167 HydrophobicContact CE2-CG 3.71Å; F151-E167 HydrophobicContact CZ-CB 3.7Å; F151-E167 HydrophobicContact CZ-CG 3.94Å; A163-E167 WeakPolarHBondContact O-CB 3.34Å; A163-E167 PolarHBondContact O-N 2.89Å; A164-E167 PolarHBondContact O-N 2.88Å; F165-E167 VanDerWaalsContact C-N 3.31Å; E167-V169 PolarHBondContact O-N 2.86Å; E167-R170 WeakPolarHBondContact O-CB 3.23Å; E167-R170 PolarHBondContact O-N 3.38Å; E167-R170 IonicContact OE2-NH1 3.48Å; E167-R170 PolarHBondContact OE2-NH1 3.25Å; E167-R171 HydrophobicContact CG-CG 4.24Å; E167-R171 VanDerWaalsContact O-CG 3.31Å; E167-R171 WeakPolarHBondContact O-CG 3.3Å; E167-R171 PolarHBondContact O-N 3.46Å; E167-R171 VanDerWaalsContact OE1-CD 3.22Å; E167-R171 WeakPolarHBondContact OE1-CD 3.39Å
168	A	98.8	Very high	96.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.8	-37	174.9	0	0	0	0	0	112.3	I10 C82 L84 V120 A164 F165 E166 R171 I172	I10-A168 HydrophobicContact CD1-CB 3.71Å; C82-A168 HydrophobicContact CB-CB 4.32Å; L84-A168 HydrophobicContact CD2-CB 3.93Å; V120-A168 HydrophobicContact CG2-CB 4.37Å; A164-A168 PolarHBondContact O-N 2.87Å; F165-A168 WeakPolarHBondContact O-CB 3.22Å; F165-A168 PolarHBondContact O-N 3.04Å; E166-A168 VanDerWaalsContact C-N 3.29Å; E166-A168 PolarHBondContact O-N 3.12Å; A168-R171 PolarHBondContact O-N 3.26Å; A168-I172 WeakPolarHBondContact O-CD1 3.37Å; A168-I172 VanDerWaalsContact O-CG1 3.27Å; A168-I172 WeakPolarHBondContact O-CG1 3.45Å; A168-I172 PolarHBondContact O-N 3.22Å; A168-I172 VanDerWaalsContact O-N 3.12Å
169	V	98.5	Very high	95.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.1	-47.9	172.1	-178.7	0	0	0	0	111.2	F8 L49 V51 V56 M58 F165 E166 E167 R171 I172 L173	F8-V169 HydrophobicContact CD2-CG1 4.02Å; F8-V169 HydrophobicContact CE2-CG1 3.94Å; L49-V169 HydrophobicContact CD1-CG2 4.24Å; V51-V169 HydrophobicContact CB-CB 4.28Å; V51-V169 HydrophobicContact CB-CG1 3.86Å; V51-V169 HydrophobicContact CG1-CB 4.37Å; V51-V169 HydrophobicContact CG1-CG1 4.27Å; V51-V169 HydrophobicContact CG2-CB 4Å; V51-V169 HydrophobicContact CG2-CG1 3.94Å; V51-V169 HydrophobicContact CG2-CG2 4.2Å; V56-V169 HydrophobicContact CG1-CG1 4.44Å; V56-V169 HydrophobicContact CG2-CG1 3.89Å; V56-V169 HydrophobicContact CG2-CG2 4.26Å; M58-V169 HydrophobicContact CE-CG2 3.19Å; F165-V169 PolarHBondContact O-N 3.35Å; E166-V169 WeakPolarHBondContact O-CB 3.48Å; E166-V169 PolarHBondContact O-N 3.04Å; E166-V169 VanDerWaalsContact O-N 3.08Å; E167-V169 PolarHBondContact O-N 2.86Å; V169-R171 VanDerWaalsContact C-N 3.26Å; V169-R171 PolarHBondContact O-N 2.84Å; V169-I172 PolarHBondContact O-N 2.86Å; V169-I172 VanDerWaalsContact O-N 3.15Å; V169-L173 HydrophobicContact CG1-CD1 3.88Å; V169-L173 HydrophobicContact CG1-CG 4.35Å; V169-L173 WeakPolarHBondContact O-CG 3.49Å; V169-L173 PolarHBondContact O-N 3.47Å
170	R	98.3	Very high	94.1	Very high	68 Å²	68	47.4 Å²	47.4	26%	0.257	25%	0.249	S	C	.	.	H	α-helix	trans	-58.5	-39.4	178.1	-63	-172.4	-167.3	89.5	12.6	111.9	V51 D52 E166 E167 A174	V51-R170 HydrophobicContact CG1-CG 3.61Å; D52-R170 IonicContact OD1-NE 3.19Å; D52-R170 WeakPolarHBondContact OD2-CD 3.35Å; D52-R170 WeakPolarHBondContact OD2-CG 3.49Å; D52-R170 IonicContact OD2-NE 2.77Å; D52-R170 PolarHBondContact OD2-NE 3.28Å; E166-R170 PolarHBondContact O-N 3.39Å; E166-R170 IonicContact OE2-NH2 3.53Å; E166-R170 PolarHBondContact OE2-NH2 3.49Å; E167-R170 WeakPolarHBondContact O-CB 3.23Å; E167-R170 PolarHBondContact O-N 3.38Å; E167-R170 IonicContact OE2-NH1 3.48Å; E167-R170 PolarHBondContact OE2-NH1 3.25Å; R170-A174 WeakPolarHBondContact O-CB 3.31Å; R170-A174 PolarHBondContact O-N 3.05Å
171	R	98	Very high	92.6	Very high	86 Å²	86	49.9 Å²	49.9	33%	0.325	26%	0.258	S	S	.	.	H	α-helix	trans	-66	-38.7	177.5	-61.7	-48.3	-63.1	-174.5	-7.5	112.5	P118 V120 P149 E167 A168 V169 T175	P118-R171 HydrophobicContact CB-CB 3.91Å; V120-R171 HydrophobicContact CG2-CG 4.04Å; P149-R171 HydrophobicContact CG-CG 4.28Å; E167-R171 HydrophobicContact CG-CG 4.24Å; E167-R171 VanDerWaalsContact O-CG 3.31Å; E167-R171 WeakPolarHBondContact O-CG 3.3Å; E167-R171 PolarHBondContact O-N 3.46Å; E167-R171 VanDerWaalsContact OE1-CD 3.22Å; E167-R171 WeakPolarHBondContact OE1-CD 3.39Å; A168-R171 PolarHBondContact O-N 3.26Å; V169-R171 VanDerWaalsContact C-N 3.26Å; V169-R171 PolarHBondContact O-N 2.84Å; R171-T175 PolarHBondContact O-N 3.36Å; R171-T175 PolarHBondContact O-OG1 2.84Å
172	I	97.5	Very high	90.9	Very high	5 Å²	5	55 Å²	55	3%	0.026	28%	0.284	C	S	.	.	H	α-helix	trans	-65.5	-51.3	176	-65.1	163.2	0	0	0	110	F8 I10 D81 C82 A168 V169 A174 T175 E176	F8-I172 HydrophobicContact CB-CD1 3.84Å; F8-I172 HydrophobicContact CD1-CG2 3.77Å; F8-I172 HydrophobicContact CD2-CB 4.28Å; F8-I172 HydrophobicContact CD2-CD1 4.08Å; F8-I172 HydrophobicContact CD2-CG2 4.05Å; F8-I172 HydrophobicContact CE1-CG2 3.61Å; F8-I172 HydrophobicContact CE2-CB 4.23Å; F8-I172 HydrophobicContact CE2-CG2 3.88Å; F8-I172 HydrophobicContact CG-CD1 3.97Å; F8-I172 HydrophobicContact CG-CG2 4Å; F8-I172 HydrophobicContact CZ-CB 4.47Å; F8-I172 HydrophobicContact CZ-CG2 3.67Å; I10-I172 HydrophobicContact CD1-CD1 4.5Å; I10-I172 HydrophobicContact CG1-CD1 4.29Å; D81-I172 HydrophobicContact CB-CD1 3.66Å; D81-I172 HydrophobicContact CB-CG1 3.88Å; D81-I172 HydrophobicContact CB-CG2 4.1Å; C82-I172 HydrophobicContact CB-CD1 3.72Å; C82-I172 HydrophobicContact CB-CG1 3.79Å; A168-I172 WeakPolarHBondContact O-CD1 3.37Å; A168-I172 VanDerWaalsContact O-CG1 3.27Å; A168-I172 WeakPolarHBondContact O-CG1 3.45Å; A168-I172 PolarHBondContact O-N 3.22Å; A168-I172 VanDerWaalsContact O-N 3.12Å; V169-I172 PolarHBondContact O-N 2.86Å; V169-I172 VanDerWaalsContact O-N 3.15Å; I172-A174 VanDerWaalsContact C-N 3.3Å; I172-A174 PolarHBondContact O-N 3.25Å; I172-T175 WeakPolarHBondContact O-CB 3.42Å; I172-T175 PolarHBondContact O-N 3.17Å; I172-E176 PolarHBondContact O-N 3.08Å
173	L	96	Very high	89	Confident	18 Å²	18	58.1 Å²	58.1	9%	0.094	29%	0.293	C	S	.	.	H	α-helix	trans	-56.5	-43.6	178.8	-68.6	168.9	0	0	0	111.9	F8 H54 V169 T175 E176 D177	F8-L173 HydrophobicContact CE2-CD2 3.9Å; F8-L173 HydrophobicContact CE2-CG 3.98Å; F8-L173 HydrophobicContact CZ-CD2 3.75Å; F8-L173 HydrophobicContact CZ-CG 4.24Å; H54-L173 HydrophobicContact CB-CD1 3.88Å; H54-L173 HydrophobicContact CB-CD2 4.37Å; V169-L173 HydrophobicContact CG1-CD1 3.88Å; V169-L173 HydrophobicContact CG1-CG 4.35Å; V169-L173 WeakPolarHBondContact O-CG 3.49Å; V169-L173 PolarHBondContact O-N 3.47Å; L173-T175 VanDerWaalsContact C-N 3.25Å; L173-T175 PolarHBondContact O-N 2.9Å; L173-E176 PolarHBondContact O-N 3.14Å; L173-D177 PolarHBondContact O-N 2.82Å
174	A	94.9	Very high	87	Confident	41 Å²	41	63.5 Å²	63.5	34%	0.339	31%	0.312	S	S	.	.	H	α-helix	trans	-64.1	-27.8	177.5	0	0	0	0	0	113.8	R170 I172 R178	R170-A174 WeakPolarHBondContact O-CB 3.31Å; R170-A174 PolarHBondContact O-N 3.05Å; I172-A174 VanDerWaalsContact C-N 3.3Å; I172-A174 PolarHBondContact O-N 3.25Å; A174-R178 PolarHBondContact O-N 3.03Å
175	T	92	Very high	84.9	Confident	36 Å²	36	68.1 Å²	68.1	22%	0.221	34%	0.341	C	S	.	.	H	α-helix	trans	-78.8	-37.3	174.9	-66.5	0	0	0	0	111.5	R171 I172 L173 R178 S179	R171-T175 PolarHBondContact O-N 3.36Å; R171-T175 PolarHBondContact O-OG1 2.84Å; I172-T175 WeakPolarHBondContact O-CB 3.42Å; I172-T175 PolarHBondContact O-N 3.17Å; L173-T175 VanDerWaalsContact C-N 3.25Å; L173-T175 PolarHBondContact O-N 2.9Å; T175-R178 PolarHBondContact O-N 2.48Å; T175-S179 PolarHBondContact O-N 2.94Å; T175-S179 VanDerWaalsContact O-N 3.11Å; T175-S179 PolarHBondContact O-OG 2.87Å
176	E	88.8	Confident	82.8	Confident	78 Å²	78	74.7 Å²	74.7	36%	0.364	38%	0.376	S	S	.	.	H	α-helix	trans	-62.9	-49.2	173.9	-68.2	-175	151.7	0	0	111.1	I172 L173 R178 S179 D180	I172-E176 PolarHBondContact O-N 3.08Å; L173-E176 PolarHBondContact O-N 3.14Å; E176-R178 VanDerWaalsContact C-N 3.27Å; E176-R178 PolarHBondContact O-N 3.12Å; E176-S179 WeakPolarHBondContact O-CA 2.92Å; E176-S179 WeakPolarHBondContact O-CB 3.15Å; E176-S179 PolarHBondContact O-N 2.96Å; E176-D180 PolarHBondContact O-N 2.77Å
177	D	86.2	Confident	80.6	Confident	107 Å²	107	76.9 Å²	76.9	57%	0.572	39%	0.393	S	S	*	.	H	α-helix	trans	-57.4	-39.9	178.4	-76	-18.6	0	0	0	112.5	L173 H181	L173-D177 PolarHBondContact O-N 2.82Å; D177-H181 PolarHBondContact O-N 3.46Å; D177-H181 VanDerWaalsContact O-N 3.11Å
178	R	82.8	Confident	78.5	Confident	141 Å²	141	81.3 Å²	81.3	53%	0.532	42%	0.422	S	S	.	.	H	α-helix	trans	-64.9	-41.8	176.2	-171.8	-176.8	-56.7	175.1	4.1	111.3	A174 T175 E176 H181 L182	A174-R178 PolarHBondContact O-N 3.03Å; T175-R178 PolarHBondContact O-N 2.48Å; E176-R178 VanDerWaalsContact C-N 3.27Å; E176-R178 PolarHBondContact O-N 3.12Å; R178-H181 PolarHBondContact O-N 3.1Å; R178-L182 HydrophobicContact CG-CD1 4.41Å; R178-L182 VanDerWaalsContact O-CG 3.28Å; R178-L182 WeakPolarHBondContact O-CG 3.23Å; R178-L182 PolarHBondContact O-N 3.29Å; R178-L182 VanDerWaalsContact O-N 3.15Å
179	S	78.5	Confident	76.5	Confident	56 Å²	56	86.6 Å²	86.6	39%	0.392	45%	0.451	S	S	.	.	H	α-helix	trans	-66.4	-43	-179.2	-56.7	0	0	0	0	111.2	T175 E176 H181 L182 I183	T175-S179 PolarHBondContact O-N 2.94Å; T175-S179 VanDerWaalsContact O-N 3.11Å; T175-S179 PolarHBondContact O-OG 2.87Å; E176-S179 WeakPolarHBondContact O-CA 2.92Å; E176-S179 WeakPolarHBondContact O-CB 3.15Å; E176-S179 PolarHBondContact O-N 2.96Å; S179-H181 VanDerWaalsContact C-N 3.34Å; S179-H181 PolarHBondContact O-N 3.16Å; S179-L182 PolarHBondContact O-N 3.22Å; S179-I183 WeakPolarHBondContact O-CG1 3.45Å; S179-I183 PolarHBondContact O-N 2.77Å; S179-I183 VanDerWaalsContact O-N 3.14Å
180	D	76.6	Confident	74.5	Confident	100 Å²	100	94.5 Å²	94.5	54%	0.535	49%	0.492	S	S	.	.	H	α-helix	trans	-64.7	-37.4	177	-80.7	-6.8	0	0	0	112.3	E176 I183 Q184	E176-D180 PolarHBondContact O-N 2.77Å; D180-I183 PolarHBondContact O-N 2.95Å; D180-Q184 PolarHBondContact O-N 2.9Å
181	H	67.1	Low	72.5	Confident	130 Å²	130	99.6 Å²	99.6	60%	0.602	52%	0.519	S	S	*	.	H	α-helix	trans	-66.7	-36.9	175.9	-164.4	-20.6	0	0	0	112.2	D177 R178 S179 Q184	D177-H181 PolarHBondContact O-N 3.46Å; D177-H181 VanDerWaalsContact O-N 3.11Å; R178-H181 PolarHBondContact O-N 3.1Å; S179-H181 VanDerWaalsContact C-N 3.34Å; S179-H181 PolarHBondContact O-N 3.16Å; H181-Q184 PolarHBondContact O-N 3.4Å
182	L	61.9	Low	70.2	Confident	111 Å²	111	105.1 Å²	105.1	58%	0.581	54%	0.539	S	S	*	.	H	α-helix	trans	-68	-36.5	177.2	-68.2	170.3	0	0	0	112	R178 S179 T185	R178-L182 HydrophobicContact CG-CD1 4.41Å; R178-L182 VanDerWaalsContact O-CG 3.28Å; R178-L182 WeakPolarHBondContact O-CG 3.23Å; R178-L182 PolarHBondContact O-N 3.29Å; R178-L182 VanDerWaalsContact O-N 3.15Å; S179-L182 PolarHBondContact O-N 3.22Å; L182-T185 PolarHBondContact O-OG1 3.1Å; L182-T185 VanDerWaalsContact O-OG1 3.13Å
183	I	59.3	Low	67.8	Low	111 Å²	111	113.7 Å²	113.7	57%	0.569	58%	0.576	S	S	*	*	H	α-helix	trans	-69.5	-35.9	178.4	-65	167.7	0	0	0	111.4	S179 D180 T185 D186	S179-I183 WeakPolarHBondContact O-CG1 3.45Å; S179-I183 PolarHBondContact O-N 2.77Å; S179-I183 VanDerWaalsContact O-N 3.14Å; D180-I183 PolarHBondContact O-N 2.95Å; I183-T185 PolarHBondContact O-N 2.73Å; I183-D186 PolarHBondContact O-N 2.71Å
184	Q	56	Low	65.8	Low	150 Å²	150	118.7 Å²	118.7	70%	0.701	61%	0.61	S	S	*	*	H	α-helix	trans	-62.7	-27.4	-177.7	-83.7	-172.3	4.1	0	0	113.8	D180 H181	D180-Q184 PolarHBondContact O-N 2.9Å; H181-Q184 PolarHBondContact O-N 3.4Å
185	T	55.1	Low	63.7	Low	98 Å²	98	125.2 Å²	125.2	60%	0.601	63%	0.631	S	S	*	*	H	α-helix	trans	-81.5	-21.5	-177.9	51.8	0	0	0	0	114.4	L182 I183	L182-T185 PolarHBondContact O-OG1 3.1Å; L182-T185 VanDerWaalsContact O-OG1 3.13Å; I183-T185 PolarHBondContact O-N 2.73Å
186	D	55	Low	61.6	Low	138 Å²	138	129.2 Å²	129.2	74%	0.738	66%	0.657	S	S	*	*			trans	-99.8	9.2	-171	-77.8	-10.7	0	0	0	114.7	I183 V188	I183-D186 PolarHBondContact O-N 2.71Å; D186-V188 PolarHBondContact O-N 2.91Å
187	T	53	Low	59.6	Low	106 Å²	106	133.4 Å²	133.4	65%	0.65	68%	0.682	S	S	*	*			trans	-79.5	97.2	176.1	54.2	0	0	0	0	112	N189	T187-N189 PolarHBondContact O-N 3.14Å; T187-N189 VanDerWaalsContact O-N 3.09Å
188	V	55.3	Low	57.8	Low	127 Å²	127	133.3 Å²	133.3	77%	0.77	69%	0.69	S	S	*	*			trans	-64.4	107.4	159	179.1	0	0	0	0	107.9	D186 L190	D186-V188 PolarHBondContact O-N 2.91Å; V188-L190 PolarHBondContact O-N 3.4Å
189	N	55.9	Low	56	Low	111 Å²	111	131.7 Å²	131.7	59%	0.594	70%	0.7	S	S	*	*			trans	-71.3	96	179.2	-163.6	-23.3	0	0	0	110.4	T187 H191 R192	T187-N189 PolarHBondContact O-N 3.14Å; T187-N189 VanDerWaalsContact O-N 3.09Å; N189-H191 PolarHBondContact O-N 2.7Å; N189-H191 VanDerWaalsContact O-N 3.1Å; N189-H191 PolarHBondContact OD1-N 3.3Å; N189-R192 WeakPolarHBondContact O-CB 3.26Å; N189-R192 PolarHBondContact O-N 3.01Å
190	L	56.8	Low	54.4	Low	166 Å²	166	134.8 Å²	134.8	87%	0.869	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	-16.6	-178.1	-73.6	163.8	0	0	0	114.1	V188	V188-L190 PolarHBondContact O-N 3.4Å
191	H	56.6	Low	52.9	Low	176 Å²	176	139.2 Å²	139.2	82%	0.815	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-0.4	176.8	-92.1	77.6	0	0	0	114	N189 K193	N189-H191 PolarHBondContact O-N 2.7Å; N189-H191 VanDerWaalsContact O-N 3.1Å; N189-H191 PolarHBondContact OD1-N 3.3Å; H191-K193 PolarHBondContact O-N 3.44Å
192	R	48	Very low	52.2	Low	202 Å²	202	139.7 Å²	139.7	76%	0.762	77%	0.765	S	S	*	*			trans	-74.5	95.9	178.5	-144	178.1	-168.7	-175.7	4.7	109.2	N189	N189-R192 WeakPolarHBondContact O-CB 3.26Å; N189-R192 PolarHBondContact O-N 3.01Å
193	K	48.1	Very low	51.7	Low	185 Å²	185	141.2 Å²	141.2	80%	0.804	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-52.9	134.5	169.2	-75.7	-175.1	177.4	-179.8	0	109	H191 K195	H191-K193 PolarHBondContact O-N 3.44Å; K193-K195 PolarHBondContact O-N 2.59Å
194	P	53	Low	51.2	Low	123 Å²	123	142.9 Å²	142.9	80%	0.799	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-56.1	126.8	174.7	21.6	-30.1	0	0	0	108.6
195	K	51.3	Low	51	Low	177 Å²	177	142.5 Å²	142.5	77%	0.77	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-58.5	132.6	171.7	-78.4	-175.8	174.9	-177.8	0	107.4	K193 N197	K193-K195 PolarHBondContact O-N 2.59Å; K195-N197 PolarHBondContact O-N 2.88Å; K195-N197 VanDerWaalsContact O-N 3.15Å
196	P	47.7	Very low	50.7	Low	121 Å²	121	145.3 Å²	145.3	79%	0.786	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-61	122.1	171.6	7.2	-1.8	0	0	0	107.7	S198	P196-S198 PolarHBondContact O-N 3.41Å
197	N	48.5	Very low	50.4	Low	165 Å²	165	145.7 Å²	145.7	88%	0.882	81%	0.807	S	S	*	*			trans	-58.8	105.6	168.2	-82.4	-14.4	0	0	0	107.2	K195 S199	K195-N197 PolarHBondContact O-N 2.88Å; K195-N197 VanDerWaalsContact O-N 3.15Å; N197-S199 PolarHBondContact O-N 3.09Å; N197-S199 VanDerWaalsContact O-N 3.11Å
198	S	48.2	Very low	50.2	Low	106 Å²	106	148.6 Å²	148.6	74%	0.741	82%	0.819	S	S	*	*			trans	-64.6	110.9	167.8	50.8	0	0	0	0	107.6	P196 C200	P196-S198 PolarHBondContact O-N 3.41Å; S198-C200 PolarHBondContact O-N 2.93Å
199	S	43.4	Very low	49.8	Very low	106 Å²	106	150.2 Å²	150.2	74%	0.741	82%	0.822	S	S	*	*			trans	-46.5	119.3	161.6	163.8	0	0	0	0	109.2	N197	N197-S199 PolarHBondContact O-N 3.09Å; N197-S199 VanDerWaalsContact O-N 3.11Å
200	C	45.7	Very low	49.3	Very low	121 Å²	121	153.5 Å²	153.5	82%	0.818	84%	0.841	S	S	*	*			trans	-88.3	128.9	157	-75.7	0	0	0	0	107.2	S198	S198-C200 PolarHBondContact O-N 2.93Å
201	C	45	Very low	48.7	Very low	194 Å²	194	152.4 Å²	152.4	100%	1.311	84%	0.839	S	S	*	*			trans	-60.1	0	170.2	-57.6	0	0	0	0	112.4

Retrieved 201 of 201 residues in 797.7 ms (Link to these results)

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