A0A087YQ83_POEFO Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession A0A087YQ83, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 202 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.8	Very low	81	Confident	238 Å²	238	81.3 Å²	81.3	100%	1.172	42%	0.416	S	S	*	.				0	118.8	0	-68.3	172.9	173.9	0	0	106.1	R3	M1-R3 PolarHBondContact O-N 3Å
2	S	43.8	Very low	82.5	Confident	99 Å²	99	74.5 Å²	74.5	69%	0.692	38%	0.381	S	S	*	.			trans	-60.6	121.6	174.4	53	0	0	0	0	107.1	N4	S2-N4 PolarHBondContact O-N 3.18Å; S2-N4 PolarHBondContact OG-OD1 2.88Å
3	R	59.6	Low	83.7	Confident	164 Å²	164	68.8 Å²	68.8	62%	0.619	35%	0.352	S	S	*	.			trans	-64.8	95.6	167.2	-79.7	178.8	169.2	-169.6	-6.2	105.5	M1 N5 E50 G53 P55	M1-R3 PolarHBondContact O-N 3Å; R3-N5 PolarHBondContact O-N 2.91Å; R3-E50 IonicContact NH1-OE1 2.71Å; R3-E50 PolarHBondContact NH1-OE1 3.1Å; R3-E50 IonicContact NH1-OE2 3.84Å; R3-G53 PolarHBondContact NE-O 3.28Å; R3-G53 PolarHBondContact NH1-O 2.97Å; R3-G53 VanDerWaalsContact NH1-O 3.13Å; R3-G53 PolarHBondContact NH2-O 2.95Å; R3-P55 HydrophobicContact CB-CG 3.95Å
4	N	78.7	Confident	84.8	Confident	123 Å²	123	63.9 Å²	63.9	66%	0.658	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-65.4	126	175.7	-74.7	-5.1	0	0	0	107.3	S2 V6	S2-N4 PolarHBondContact O-N 3.18Å; S2-N4 PolarHBondContact OG-OD1 2.88Å; N4-V6 PolarHBondContact O-N 2.98Å
5	N	85.8	Confident	85.7	Confident	94 Å²	94	61.5 Å²	61.5	50%	0.503	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-67	125.7	174.5	-174.5	34.1	0	0	0	109	R3 P55 V56 T57	R3-N5 PolarHBondContact O-N 2.91Å; N5-P55 PolarHBondContact OD1-O 2.71Å; N5-V56 WeakPolarHBondContact OD1-CA 3.26Å; N5-V56 PolarHBondContact OD1-N 3.29Å; N5-T57 PolarHBondContact ND2-OG1 2.82Å; N5-T57 PolarHBondContact OD1-N 3.49Å
6	V	92.6	Very high	86.4	Confident	40 Å²	40	59.7 Å²	59.7	24%	0.242	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	129.4	-179.7	-177.6	0	0	0	0	108.9	N4 L8 P55 V56 T57	N4-V6 PolarHBondContact O-N 2.98Å; V6-L8 HydrophobicContact CG1-CD2 3.59Å; V6-L8 HydrophobicContact CG1-CG 3.96Å; V6-P55 PolarHBondContact N-O 2.68Å; V6-V56 CarbonylContact O-C 3.28Å; V6-V56 VanDerWaalsContact O-CA 3.31Å; V6-V56 WeakPolarHBondContact O-CA 3.42Å; V6-V56 WeakPolarHBondContact O-CG1 3.35Å; V6-T57 PolarHBondContact O-N 2.85Å
7	L	95.8	Very high	86.9	Confident	108 Å²	108	58.9 Å²	58.9	57%	0.565	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	118.6	172.2	176.8	67.1	0	0	0	108.6	T57 Q59	L7-T57 WeakPolarHBondContact CA-O 3.27Å; L7-T57 HydrophobicContact CD1-CG2 3.73Å; L7-Q59 HydrophobicContact CD1-CB 4.27Å
8	L	97.3	Very high	87.5	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127	177.9	-63	-173.6	0	0	0	111.3	V6 V56 T57 Q59 D81 V169 V172	V6-L8 HydrophobicContact CG1-CD2 3.59Å; V6-L8 HydrophobicContact CG1-CG 3.96Å; L8-V56 HydrophobicContact CB-CG1 4.23Å; L8-V56 HydrophobicContact CD1-CG1 3.75Å; L8-V56 HydrophobicContact CG-CG1 3.72Å; L8-T57 PolarHBondContact N-O 2.88Å; L8-Q59 PolarHBondContact O-N 2.9Å; L8-D81 WeakPolarHBondContact CA-OD2 3.24Å; L8-D81 HydrophobicContact CD2-CB 4.34Å; L8-V169 HydrophobicContact CD1-CG1 4.03Å; L8-V172 HydrophobicContact CD1-CB 4.11Å; L8-V172 HydrophobicContact CD1-CG1 3.99Å; L8-V172 HydrophobicContact CD2-CG1 3.69Å; L8-V172 HydrophobicContact CG-CG1 4.47Å
9	K	97.8	Very high	88.1	Confident	27 Å²	27	53.4 Å²	53.4	12%	0.117	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	110.7	173.5	177.1	166	168.6	-170.4	0	110.4	Q59 W61 F76 R78 G79 A80 D81 C82	K9-Q59 WeakPolarHBondContact CA-O 3.26Å; K9-W61 HydrophobicContact CD-CZ2 4.45Å; K9-W61 HydrophobicContact CG-CG 4.49Å; K9-F76 VanDerWaalsContact CE-O 3.29Å; K9-F76 WeakPolarHBondContact CE-O 3.38Å; K9-F76 PolarHBondContact NZ-O 2.96Å; K9-R78 PolarHBondContact NZ-O 2.96Å; K9-G79 WeakPolarHBondContact CD-O 3.44Å; K9-A80 HydrophobicContact CG-CB 4.34Å; K9-D81 PolarHBondContact N-OD2 3.11Å; K9-D81 PolarHBondContact O-N 3.06Å; K9-C82 PolarHBondContact O-N 3.13Å
10	V	98.2	Very high	88.6	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	129.6	176.3	-179.5	0	0	0	0	109.1	L58 Q59 I60 W61 C82 L84	V10-L58 HydrophobicContact CG2-CD2 4.23Å; V10-L58 HydrophobicContact CG2-CG 4.32Å; V10-Q59 PolarHBondContact N-O 2.85Å; V10-I60 CarbonylContact O-C 3.49Å; V10-I60 WeakPolarHBondContact O-CA 3.35Å; V10-W61 PolarHBondContact O-N 3.32Å; V10-C82 WeakPolarHBondContact CA-O 3.42Å; V10-C82 HydrophobicContact CG2-CB 4.38Å; V10-L84 HydrophobicContact CG1-CD1 3.64Å; V10-L84 HydrophobicContact CG1-CD2 4.25Å; V10-L84 HydrophobicContact CG1-CG 3.58Å
11	I	98.5	Very high	89	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	135.2	179.4	-167.1	166.6	0	0	0	111.6	L13 W61 T63 Y77 A80 C82 C83 L84 F105	I11-L13 HydrophobicContact CD1-CD2 4.26Å; I11-L13 HydrophobicContact CG1-CD2 4.19Å; I11-W61 HydrophobicContact CB-CB 4.28Å; I11-W61 HydrophobicContact CG1-CB 4.02Å; I11-T63 HydrophobicContact CD1-CG2 3.8Å; I11-T63 HydrophobicContact CG1-CG2 3.71Å; I11-Y77 HydrophobicContact CD1-CD1 3.44Å; I11-Y77 VanDerWaalsContact CD1-CD1 3.44Å; I11-Y77 HydrophobicContact CD1-CE1 3.89Å; I11-Y77 HydrophobicContact CD1-CG 4.41Å; I11-A80 HydrophobicContact CB-CB 4.45Å; I11-A80 HydrophobicContact CG2-CB 3.93Å; I11-C82 PolarHBondContact N-O 3.36Å; I11-C83 HydrophobicContact CG2-CB 4Å; I11-C83 WeakPolarHBondContact O-CA 3.39Å; I11-L84 PolarHBondContact O-N 2.68Å; I11-F105 HydrophobicContact CG2-CD2 4.29Å; I11-F105 HydrophobicContact CG2-CE2 3.8Å
12	L	98.7	Very high	91.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	125.1	173.2	-63.9	99.6	0	0	0	110.4	K20 L23 M24 I60 W61 T63 L84 F165	L12-K20 HydrophobicContact CB-CB 4.03Å; L12-K20 HydrophobicContact CB-CD 4.05Å; L12-K20 HydrophobicContact CB-CG 4.15Å; L12-K20 HydrophobicContact CD2-CB 4.18Å; L12-L23 HydrophobicContact CD2-CB 4.34Å; L12-M24 HydrophobicContact CD1-CB 4.48Å; L12-I60 HydrophobicContact CD1-CG2 3.35Å; L12-W61 WeakPolarHBondContact CD1-O 3.39Å; L12-W61 PolarHBondContact N-O 3.05Å; L12-T63 PolarHBondContact O-OG1 3.43Å; L12-L84 HydrophobicContact CD2-CD1 4.33Å; L12-L84 HydrophobicContact CG-CB 4.22Å; L12-L84 HydrophobicContact CG-CD1 4.13Å; L12-F165 HydrophobicContact CD2-CZ 4.34Å
13	L	98.7	Very high	94.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	154.8	175	-61.5	-172.5	0	0	0	111.2	I11 T63 Y77 L84 L85 T86 W101 F105	I11-L13 HydrophobicContact CD1-CD2 4.26Å; I11-L13 HydrophobicContact CG1-CD2 4.19Å; L13-T63 HydrophobicContact CD2-CG2 4.09Å; L13-T63 WeakPolarHBondContact CD2-OG1 3.43Å; L13-Y77 HydrophobicContact CD1-CE1 4.32Å; L13-Y77 HydrophobicContact CD1-CE2 4.24Å; L13-Y77 HydrophobicContact CD2-CD1 4.45Å; L13-Y77 HydrophobicContact CD2-CE1 3.53Å; L13-Y77 WeakPolarHBondContact CD2-OH 3.49Å; L13-L84 PolarHBondContact N-O 2.82Å; L13-L85 HydrophobicContact CB-CD2 4.27Å; L13-T86 WeakPolarHBondContact O-CB 3.4Å; L13-T86 PolarHBondContact O-N 3.46Å; L13-W101 HydrophobicContact CB-CD2 4.5Å; L13-W101 HydrophobicContact CB-CE3 3.98Å; L13-W101 HydrophobicContact CD1-CE3 4.42Å; L13-W101 HydrophobicContact CD2-CZ3 4.45Å; L13-F105 HydrophobicContact CD1-CB 3.69Å; L13-F105 HydrophobicContact CD1-CD2 3.84Å; L13-F105 HydrophobicContact CD1-CG 4.12Å
14	G	98.6	Very high	96.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	17%	0.167	C	C	.	.			trans	145	168.2	-175	0	0	0	0	0	112.2	K20 G65 T86 W101	G14-K20 PolarHBondContact O-NZ 3.33Å; G14-G65 WeakPolarHBondContact O-CA 3.31Å; G14-T86 VanDerWaalsContact CA-O 3.29Å; G14-T86 WeakPolarHBondContact CA-O 3.37Å; G14-W101 VanDerWaalsContact C-CE2 3.42Å; G14-W101 VanDerWaalsContact C-CZ2 3.43Å; G14-W101 VanDerWaalsContact O-CZ2 3.25Å; G14-W101 WeakPolarHBondContact O-CZ2 3.5Å
15	D	98.4	Very high	97	Very high	28 Å²	28	23.7 Å²	23.7	15%	0.15	15%	0.15	C	C	.	.			trans	-60.6	163.4	-175	-79.6	13.6	0	0	0	113.6	G17 V18 K20 N97 W101	D15-G17 PolarHBondContact O-N 3.15Å; D15-V18 HydrophobicContact CB-CG1 3.82Å; D15-V18 VanDerWaalsContact O-CG2 3.28Å; D15-V18 WeakPolarHBondContact O-CG2 3.31Å; D15-K20 PolarHBondContact O-NZ 3.44Å; D15-N97 PolarHBondContact OD1-ND2 3.03Å; D15-N97 PolarHBondContact OD2-ND2 3.28Å; D15-W101 PolarHBondContact OD1-NE1 3.45Å
16	G	96.8	Very high	97.6	Very high	33 Å²	33	20.7 Å²	20.7	34%	0.34	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	132.5	173.4	0	0	0	0	0	111	V18 G65	G16-V18 VanDerWaalsContact C-N 3.34Å; G16-V18 PolarHBondContact O-N 2.91Å; G16-G65 PolarHBondContact N-O 3Å
17	G	95.8	Very high	97.8	Very high	47 Å²	47	19.1 Å²	19.1	49%	0.485	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	-1.3	174.5	0	0	0	0	0	115.9	D15 G19 K125	D15-G17 PolarHBondContact O-N 3.15Å; G17-G19 PolarHBondContact O-N 3.08Å; G17-K125 VanDerWaalsContact O-CE 3.24Å; G17-K125 WeakPolarHBondContact O-CE 3.4Å; G17-K125 PolarHBondContact O-NZ 2.88Å
18	V	97.8	Very high	97.9	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.006	11%	0.106	C	C	.	.	S	Bend	trans	-67.4	-16.7	175.3	-56.6	0	0	0	0	113.5	D15 G16 K20 T86 A88 N124	D15-V18 HydrophobicContact CB-CG1 3.82Å; D15-V18 VanDerWaalsContact O-CG2 3.28Å; D15-V18 WeakPolarHBondContact O-CG2 3.31Å; G16-V18 VanDerWaalsContact C-N 3.34Å; G16-V18 PolarHBondContact O-N 2.91Å; V18-K20 HydrophobicContact CG2-CD 4.42Å; V18-K20 HydrophobicContact CG2-CG 3.77Å; V18-T86 HydrophobicContact CB-CG2 4.43Å; V18-T86 HydrophobicContact CG2-CG2 3.8Å; V18-A88 HydrophobicContact CB-CB 4.29Å; V18-A88 HydrophobicContact CG1-CB 4.45Å; V18-N124 PolarHBondContact O-ND2 2.83Å
19	G	97.9	Very high	97.8	Very high	11 Å²	11	18.8 Å²	18.8	11%	0.113	12%	0.124	C	C	.	.	S	Bend	trans	104.1	23.1	173.5	0	0	0	0	0	115.9	G17 S21 S22 L23	G17-G19 PolarHBondContact O-N 3.08Å; G19-S21 PolarHBondContact O-N 3.34Å; G19-S22 WeakPolarHBondContact O-CB 3.49Å; G19-S22 PolarHBondContact O-N 3.47Å; G19-L23 WeakPolarHBondContact O-CG 3.5Å; G19-L23 PolarHBondContact O-N 3.42Å
20	K	98.4	Very high	97.7	Very high	10 Å²	10	22.8 Å²	22.8	4%	0.043	15%	0.147	C	C	.	.	H	α-helix	trans	-53	-53.2	176.2	-60.4	-175.8	-60.9	-70.4	0	112.9	L12 G14 D15 V18 S22 L23 M24 D62 T63 T86	L12-K20 HydrophobicContact CB-CB 4.03Å; L12-K20 HydrophobicContact CB-CD 4.05Å; L12-K20 HydrophobicContact CB-CG 4.15Å; L12-K20 HydrophobicContact CD2-CB 4.18Å; G14-K20 PolarHBondContact O-NZ 3.33Å; D15-K20 PolarHBondContact O-NZ 3.44Å; V18-K20 HydrophobicContact CG2-CD 4.42Å; V18-K20 HydrophobicContact CG2-CG 3.77Å; K20-S22 VanDerWaalsContact C-N 3.3Å; K20-S22 PolarHBondContact O-N 2.79Å; K20-L23 PolarHBondContact O-N 3.34Å; K20-M24 PolarHBondContact O-N 3.18Å; K20-D62 WeakPolarHBondContact CB-OD1 3.3Å; K20-T63 WeakPolarHBondContact CE-O 3.37Å; K20-T86 HydrophobicContact CG-CG2 4.29Å
21	S	97.8	Very high	97.5	Very high	25 Å²	25	31.7 Å²	31.7	18%	0.175	18%	0.18	C	C	.	.	H	α-helix	trans	-61.3	-39.2	177	-35.4	0	0	0	0	111.8	G19 M24 N25 T39 D62	G19-S21 PolarHBondContact O-N 3.34Å; S21-M24 PolarHBondContact O-N 2.91Å; S21-N25 VanDerWaalsContact O-CB 3.32Å; S21-N25 WeakPolarHBondContact O-CB 3.49Å; S21-N25 VanDerWaalsContact O-CG 3.28Å; S21-N25 PolarHBondContact O-N 3.16Å; S21-N25 PolarHBondContact O-ND2 2.82Å; S21-T39 PolarHBondContact OG-OG1 3.45Å; S21-D62 VanDerWaalsContact CB-OD2 3.29Å; S21-D62 WeakPolarHBondContact CB-OD2 3.46Å; S21-D62 PolarHBondContact N-OD1 2.99Å; S21-D62 VanDerWaalsContact OG-CG 3.29Å; S21-D62 PolarHBondContact OG-OD1 3Å; S21-D62 PolarHBondContact OG-OD2 3.31Å
22	S	98.1	Very high	97.3	Very high	14 Å²	14	35.4 Å²	35.4	10%	0.098	20%	0.197	C	C	.	.	H	α-helix	trans	-65.2	-40.7	176.7	-49.2	0	0	0	0	112	G19 K20 R26	G19-S22 WeakPolarHBondContact O-CB 3.49Å; G19-S22 PolarHBondContact O-N 3.47Å; K20-S22 VanDerWaalsContact C-N 3.3Å; K20-S22 PolarHBondContact O-N 2.79Å; S22-R26 WeakPolarHBondContact O-CB 3.47Å; S22-R26 PolarHBondContact O-N 2.96Å
23	L	98.6	Very high	97	Very high	1 Å²	1	40 Å²	40	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-64.5	-46.4	175.3	-76.2	167	0	0	0	111.3	L12 G19 K20 R26 Y27 T86 L122 N124 A155 V161	L12-L23 HydrophobicContact CD2-CB 4.34Å; G19-L23 WeakPolarHBondContact O-CG 3.5Å; G19-L23 PolarHBondContact O-N 3.42Å; K20-L23 PolarHBondContact O-N 3.34Å; L23-R26 PolarHBondContact O-N 2.84Å; L23-Y27 VanDerWaalsContact O-CB 3.31Å; L23-Y27 WeakPolarHBondContact O-CB 3.46Å; L23-Y27 PolarHBondContact O-N 3.22Å; L23-T86 HydrophobicContact CD1-CG2 3.81Å; L23-L122 HydrophobicContact CD1-CD1 3.93Å; L23-N124 HydrophobicContact CD1-CB 4.17Å; L23-A155 HydrophobicContact CD2-CB 4.02Å; L23-A155 HydrophobicContact CG-CB 4.15Å; L23-V161 HydrophobicContact CD2-CG1 4.33Å; L23-V161 HydrophobicContact CD2-CG2 3.89Å
24	M	98.1	Very high	96.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58.4	-49.7	175.3	-179.4	-177.7	70.9	0	0	110.9	L12 K20 S21 Y27 V28 E43 L45 I60 D62	L12-M24 HydrophobicContact CD1-CB 4.48Å; K20-M24 PolarHBondContact O-N 3.18Å; S21-M24 PolarHBondContact O-N 2.91Å; M24-Y27 PolarHBondContact O-N 2.6Å; M24-V28 HydrophobicContact CG-CG2 4.48Å; M24-V28 WeakPolarHBondContact O-CB 3.3Å; M24-V28 WeakPolarHBondContact O-CG2 3.48Å; M24-V28 PolarHBondContact O-N 2.84Å; M24-E43 HydrophobicContact CE-CG 4.41Å; M24-L45 HydrophobicContact CE-CD1 4Å; M24-L45 HydrophobicContact CE-CG 4.12Å; M24-L45 HydrophobicContact CG-CD1 4.16Å; M24-L45 HydrophobicContact SD-CB 4.31Å; M24-L45 HydrophobicContact SD-CD1 4.28Å; M24-L45 HydrophobicContact SD-CG 4.15Å; M24-I60 HydrophobicContact CB-CG2 4.29Å; M24-I60 HydrophobicContact CG-CB 4.31Å; M24-I60 HydrophobicContact CG-CG2 3.79Å; M24-I60 HydrophobicContact SD-CG2 4.18Å; M24-D62 HydrophobicContact CE-CB 3.65Å; M24-D62 HydrophobicContact SD-CB 3.69Å
25	N	97.1	Very high	95.7	Very high	57 Å²	57	51.5 Å²	51.5	31%	0.305	29%	0.286	S	S	.	.	H	α-helix	trans	-66.9	-40.5	-179	-74.4	-27.1	0	0	0	112.5	S21 T29 D30 R31	S21-N25 VanDerWaalsContact O-CB 3.32Å; S21-N25 WeakPolarHBondContact O-CB 3.49Å; S21-N25 VanDerWaalsContact O-CG 3.28Å; S21-N25 PolarHBondContact O-N 3.16Å; S21-N25 PolarHBondContact O-ND2 2.82Å; N25-T29 WeakPolarHBondContact O-CA 3.4Å; N25-T29 WeakPolarHBondContact O-CB 3.2Å; N25-T29 PolarHBondContact O-N 2.8Å; N25-T29 PolarHBondContact O-OG1 3.19Å; N25-D30 PolarHBondContact O-N 3.45Å; N25-R31 CarbonylContact C-O 3.51Å
26	R	98.1	Very high	94.6	Very high	32 Å²	32	53.5 Å²	53.5	12%	0.121	30%	0.302	C	S	.	.	H	α-helix	trans	-58.4	-50.9	173.9	171.2	54.3	70.4	-173.2	7.6	109.9	S22 L23 D30 R31 A155 K156 D158 V161	S22-R26 WeakPolarHBondContact O-CB 3.47Å; S22-R26 PolarHBondContact O-N 2.96Å; L23-R26 PolarHBondContact O-N 2.84Å; R26-D30 IonicContact CZ-OD1 3.85Å; R26-D30 VanDerWaalsContact NH1-C 3.29Å; R26-D30 PolarHBondContact NH1-O 2.99Å; R26-D30 IonicContact NH1-OD1 2.68Å; R26-D30 PolarHBondContact NH1-OD1 3.31Å; R26-D30 WeakPolarHBondContact O-CA 3.29Å; R26-D30 PolarHBondContact O-N 2.91Å; R26-R31 WeakPolarHBondContact CA-O 3.48Å; R26-R31 PolarHBondContact N-O 2.96Å; R26-A155 HydrophobicContact CB-CB 4.32Å; R26-A155 PolarHBondContact NE-O 3.42Å; R26-K156 PolarHBondContact NH2-O 3.27Å; R26-D158 VanDerWaalsContact CD-OD1 3.28Å; R26-D158 WeakPolarHBondContact CD-OD1 3.28Å; R26-D158 HydrophobicContact CG-CB 4.44Å; R26-D158 VanDerWaalsContact CG-OD1 3.26Å; R26-D158 WeakPolarHBondContact CG-OD1 3.31Å; R26-V161 HydrophobicContact CB-CG1 4.46Å; R26-V161 HydrophobicContact CG-CB 4.25Å; R26-V161 HydrophobicContact CG-CG1 4.02Å; R26-V161 HydrophobicContact CG-CG2 3.99Å
27	Y	98.2	Very high	94	Very high	6 Å²	6	60.9 Å²	60.9	2%	0.024	33%	0.325	C	S	.	.	H	α-helix	trans	-62.3	-50.9	-179.4	-173.8	-111.6	0	0	0	111.8	L23 M24 R47 L49 L58 I60 V161 T162 F165	L23-Y27 VanDerWaalsContact O-CB 3.31Å; L23-Y27 WeakPolarHBondContact O-CB 3.46Å; L23-Y27 PolarHBondContact O-N 3.22Å; M24-Y27 PolarHBondContact O-N 2.6Å; Y27-R47 HydrophobicContact CE1-CB 4.39Å; Y27-R47 HydrophobicContact CE1-CG 4.4Å; Y27-R47 VanDerWaalsContact CG-NH1 3.28Å; Y27-R47 VanDerWaalsContact CZ-NH1 3.25Å; Y27-R47 VanDerWaalsContact O-CZ 3.22Å; Y27-R47 PolarHBondContact O-NH1 3.36Å; Y27-L49 VanDerWaalsContact OH-CD1 3.29Å; Y27-L49 WeakPolarHBondContact OH-CD1 3.42Å; Y27-L58 HydrophobicContact CE1-CD2 4.45Å; Y27-I60 HydrophobicContact CD1-CD1 3.44Å; Y27-I60 VanDerWaalsContact CD1-CD1 3.44Å; Y27-I60 HydrophobicContact CE1-CD1 3.68Å; Y27-V161 HydrophobicContact CD2-CG1 4.25Å; Y27-V161 HydrophobicContact CG-CG1 4.5Å; Y27-T162 HydrophobicContact CE2-CG2 4.33Å; Y27-F165 HydrophobicContact CD1-CB 4.19Å; Y27-F165 HydrophobicContact CD1-CD1 4.01Å; Y27-F165 AromaticContact CD1-CD2 3.82Å; Y27-F165 HydrophobicContact CD1-CD2 3.82Å; Y27-F165 HydrophobicContact CD1-CE1 4.34Å; Y27-F165 HydrophobicContact CD1-CE2 4.18Å; Y27-F165 AromaticContact CD1-CG 3.74Å; Y27-F165 HydrophobicContact CD1-CG 3.74Å; Y27-F165 HydrophobicContact CD1-CZ 4.43Å; Y27-F165 HydrophobicContact CD2-CB 3.87Å; Y27-F165 AromaticContact CD2-CD2 3.47Å; Y27-F165 HydrophobicContact CD2-CD2 3.47Å; Y27-F165 VanDerWaalsContact CD2-CD2 3.47Å; Y27-F165 HydrophobicContact CD2-CE2 4.24Å; Y27-F165 AromaticContact CD2-CG 3.85Å; Y27-F165 HydrophobicContact CD2-CG 3.85Å; Y27-F165 HydrophobicContact CE1-CB 3.73Å; Y27-F165 HydrophobicContact CE1-CD1 4.02Å; Y27-F165 HydrophobicContact CE1-CD2 4.26Å; Y27-F165 AromaticContact CE1-CG 3.75Å; Y27-F165 HydrophobicContact CE1-CG 3.75Å; Y27-F165 HydrophobicContact CE2-CB 3.41Å; Y27-F165 VanDerWaalsContact CE2-CB 3.41Å; Y27-F165 AromaticContact CE2-CD2 3.98Å; Y27-F165 HydrophobicContact CE2-CD2 3.98Å; Y27-F165 AromaticContact CE2-CG 3.9Å; Y27-F165 HydrophobicContact CE2-CG 3.9Å; Y27-F165 HydrophobicContact CG-CB 4.24Å; Y27-F165 HydrophobicContact CG-CD1 4.42Å; Y27-F165 AromaticContact CG-CD2 3.39Å; Y27-F165 HydrophobicContact CG-CD2 3.39Å; Y27-F165 AromaticContact CG-CE2 3.76Å; Y27-F165 HydrophobicContact CG-CE2 3.76Å; Y27-F165 AromaticContact CG-CG 3.77Å; Y27-F165 HydrophobicContact CG-CG 3.77Å; Y27-F165 HydrophobicContact CG-CZ 4.41Å; Y27-F165 AromaticContact CZ-CG 3.84Å
28	V	97.3	Very high	93.6	Very high	38 Å²	38	64.2 Å²	64.2	23%	0.23	33%	0.328	C	S	.	.	H	α-helix	trans	-77.8	-38.1	-172	179.3	0	0	0	0	113.1	M24 L45 R47 I60	M24-V28 HydrophobicContact CG-CG2 4.48Å; M24-V28 WeakPolarHBondContact O-CB 3.3Å; M24-V28 WeakPolarHBondContact O-CG2 3.48Å; M24-V28 PolarHBondContact O-N 2.84Å; V28-L45 HydrophobicContact CB-CB 4.41Å; V28-L45 HydrophobicContact CB-CD1 3.96Å; V28-L45 HydrophobicContact CG1-CB 4.09Å; V28-L45 HydrophobicContact CG1-CD1 3.99Å; V28-L45 HydrophobicContact CG2-CB 3.95Å; V28-L45 HydrophobicContact CG2-CD1 4.18Å; V28-R47 HydrophobicContact CG2-CB 4.39Å; V28-I60 HydrophobicContact CG2-CD1 3.82Å
29	T	95.2	Very high	93	Very high	65 Å²	65	65.7 Å²	65.7	40%	0.399	34%	0.337	S	S	.	.	H	α-helix	trans	-117.1	-3.6	-167.9	70.3	0	0	0	0	114.3	N25 R31	N25-T29 WeakPolarHBondContact O-CA 3.4Å; N25-T29 WeakPolarHBondContact O-CB 3.2Å; N25-T29 PolarHBondContact O-N 2.8Å; N25-T29 PolarHBondContact O-OG1 3.19Å; T29-R31 WeakPolarHBondContact O-CG 3.21Å; T29-R31 PolarHBondContact O-N 3.44Å; T29-R31 WeakPolarHBondContact OG1-CB 3.48Å
30	D	95.6	Very high	92.5	Very high	110 Å²	110	70.1 Å²	70.1	59%	0.588	36%	0.357	S	S	*	.	S	Bend	trans	53.5	35.8	-172.1	-165.6	28.4	0	0	0	113	N25 R26	N25-D30 PolarHBondContact O-N 3.45Å; R26-D30 IonicContact CZ-OD1 3.85Å; R26-D30 VanDerWaalsContact NH1-C 3.29Å; R26-D30 PolarHBondContact NH1-O 2.99Å; R26-D30 IonicContact NH1-OD1 2.68Å; R26-D30 PolarHBondContact NH1-OD1 3.31Å; R26-D30 WeakPolarHBondContact O-CA 3.29Å; R26-D30 PolarHBondContact O-N 2.91Å
31	R	93.8	Very high	92	Very high	187 Å²	187	70.8 Å²	70.8	71%	0.706	37%	0.367	S	S	*	.			trans	-124.9	144.3	179.4	-66.1	177.1	-176.6	-169.3	0.8	111.4	N25 R26 T29	N25-R31 CarbonylContact C-O 3.51Å; R26-R31 WeakPolarHBondContact CA-O 3.48Å; R26-R31 PolarHBondContact N-O 2.96Å; T29-R31 WeakPolarHBondContact O-CG 3.21Å; T29-R31 PolarHBondContact O-N 3.44Å; T29-R31 WeakPolarHBondContact OG1-CB 3.48Å
32	F	95.5	Very high	91.8	Very high	79 Å²	79	71.5 Å²	71.5	35%	0.346	37%	0.37	S	S	.	.			trans	-124.3	131.2	170.5	176	-97.8	0	0	0	109.4	A155 K156	F32-A155 HydrophobicContact CD2-CB 4.18Å; F32-A155 WeakPolarHBondContact CD2-O 3.46Å; F32-A155 HydrophobicContact CE2-CB 4.38Å; F32-K156 HydrophobicContact CD1-CB 4.44Å; F32-K156 HydrophobicContact CD1-CG 4.13Å; F32-K156 HydrophobicContact CD2-CB 4.26Å; F32-K156 HydrophobicContact CE1-CB 4.22Å; F32-K156 HydrophobicContact CE1-CG 3.86Å; F32-K156 HydrophobicContact CE2-CB 4.03Å; F32-K156 HydrophobicContact CG-CB 4.46Å; F32-K156 HydrophobicContact CZ-CB 4Å; F32-K156 HydrophobicContact CZ-CG 4.1Å
33	D	91.3	Very high	91.6	Very high	95 Å²	95	75.9 Å²	75.9	51%	0.508	39%	0.388	S	S	.	.			trans	-115.6	118.9	173.3	-176.1	1.8	0	0	0	109.2	Q35	D33-Q35 PolarHBondContact O-N 3.26Å; D33-Q35 PolarHBondContact OD1-N 3.38Å
34	S	86.4	Confident	91.5	Very high	98 Å²	98	80.2 Å²	80.2	69%	0.685	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-13.9	177.9	61.8	0	0	0	0	113
35	Q	83.1	Confident	91.5	Very high	145 Å²	145	82.2 Å²	82.2	68%	0.678	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	29.6	179.7	-58.4	-173.1	17	0	0	112.4	D33 F37	D33-Q35 PolarHBondContact O-N 3.26Å; D33-Q35 PolarHBondContact OD1-N 3.38Å; Q35-F37 PolarHBondContact O-N 3.02Å
36	S	76.7	Confident	91.5	Very high	70 Å²	70	83.7 Å²	83.7	49%	0.49	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-59	122.1	178.6	64	0	0	0	0	111.9
37	F	83.6	Confident	91.5	Very high	188 Å²	188	85.9 Å²	85.9	83%	0.825	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-74.9	164.2	172.6	-65.9	-82.2	0	0	0	111.7	Q35 T39	Q35-F37 PolarHBondContact O-N 3.02Å; F37-T39 PolarHBondContact O-N 3.46Å
38	H	86.6	Confident	91.4	Very high	117 Å²	117	91.3 Å²	91.3	54%	0.542	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-67	127	172.8	-63.9	-58.9	0	0	0	111.5	I40 Q66	H38-I40 PolarHBondContact O-N 3Å; H38-Q66 PolarHBondContact CD2-NE2 3.41Å; H38-Q66 VanDerWaalsContact CD2-NE2 3.29Å; H38-Q66 PolarHBondContact ND1-NE2 3.44Å
39	T	86.5	Confident	91.3	Very high	31 Å²	31	90.8 Å²	90.8	19%	0.19	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-61.4	122.9	169.1	-44.5	0	0	0	0	109.9	S21 F37 G41 D62 A64	S21-T39 PolarHBondContact OG-OG1 3.45Å; F37-T39 PolarHBondContact O-N 3.46Å; T39-G41 WeakPolarHBondContact CG2-O 3.5Å; T39-D62 PolarHBondContact OG1-OD2 3.32Å; T39-D62 VanDerWaalsContact OG1-OD2 3.13Å; T39-A64 WeakPolarHBondContact O-CB 3.35Å
40	I	86.3	Confident	91.3	Very high	105 Å²	105	93.2 Å²	93.2	54%	0.538	47%	0.466	S	S	.	.			trans	-90.8	-31.4	179.2	-66.2	177.8	0	0	0	111.3	H38 F69 L72	H38-I40 PolarHBondContact O-N 3Å; I40-F69 HydrophobicContact CB-CE1 4.48Å; I40-F69 HydrophobicContact CB-CE2 4.33Å; I40-F69 HydrophobicContact CB-CZ 4.14Å; I40-F69 HydrophobicContact CG1-CE2 4.08Å; I40-F69 HydrophobicContact CG1-CZ 3.85Å; I40-F69 HydrophobicContact CG2-CD1 4.21Å; I40-F69 HydrophobicContact CG2-CE1 3.75Å; I40-F69 HydrophobicContact CG2-CE2 4.46Å; I40-F69 HydrophobicContact CG2-CZ 3.86Å; I40-F69 WeakPolarHBondContact O-CG 3.32Å; I40-L72 HydrophobicContact CG2-CD1 4.47Å; I40-L72 VanDerWaalsContact O-CD1 3.3Å; I40-L72 WeakPolarHBondContact O-CD1 3.48Å
41	G	87.6	Confident	91.1	Very high	24 Å²	24	88.2 Å²	88.2	25%	0.247	44%	0.44	C	S	.	.	S	Bend	trans	-127.9	-128.1	-176.9	0	0	0	0	0	112.3	T39 A64	T39-G41 WeakPolarHBondContact CG2-O 3.5Å; G41-A64 WeakPolarHBondContact O-CB 3.46Å; G41-A64 PolarHBondContact O-N 3.28Å
42	V	94	Very high	90.9	Very high	39 Å²	39	84.9 Å²	84.9	24%	0.236	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	135.1	-179.2	178.9	0	0	0	0	108.3	W61 D62 T63 R73 F76	V42-W61 HydrophobicContact CG1-CE3 3.43Å; V42-W61 VanDerWaalsContact CG1-CE3 3.43Å; V42-W61 HydrophobicContact CG1-CZ3 3.92Å; V42-D62 WeakPolarHBondContact CA-O 3.4Å; V42-D62 WeakPolarHBondContact CG1-O 3.31Å; V42-T63 HydrophobicContact CG2-CG2 4.36Å; V42-R73 HydrophobicContact CG2-CB 4.1Å; V42-F76 HydrophobicContact CB-CD2 3.93Å; V42-F76 HydrophobicContact CB-CE2 4.04Å; V42-F76 HydrophobicContact CB-CG 4.3Å; V42-F76 HydrophobicContact CG1-CB 4.28Å; V42-F76 HydrophobicContact CG1-CD1 4.35Å; V42-F76 HydrophobicContact CG1-CD2 4.14Å; V42-F76 HydrophobicContact CG1-CG 4Å; V42-F76 HydrophobicContact CG2-CD2 3.49Å; V42-F76 VanDerWaalsContact CG2-CD2 3.49Å; V42-F76 HydrophobicContact CG2-CE2 3.88Å; V42-F76 HydrophobicContact CG2-CG 4.13Å
43	E	94.9	Very high	90.7	Very high	106 Å²	106	82.3 Å²	82.3	50%	0.495	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	151.4	175.1	-176.6	172.3	-174.8	0	0	108.1	M24 W61 D62	M24-E43 HydrophobicContact CE-CG 4.41Å; E43-W61 CarbonylContact O-C 3.54Å; E43-W61 WeakPolarHBondContact O-CA 3.18Å; E43-D62 PolarHBondContact N-O 3.38Å; E43-D62 VanDerWaalsContact N-O 3.09Å; E43-D62 PolarHBondContact O-N 3.45Å
44	F	96.4	Very high	90.7	Very high	92 Å²	92	81.5 Å²	81.5	40%	0.404	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	150.8	170.9	74.4	-90.9	0	0	0	111.9	Q59 I60 W61	F44-Q59 HydrophobicContact CB-CG 4.34Å; F44-Q59 HydrophobicContact CD2-CG 3.63Å; F44-Q59 HydrophobicContact CE2-CG 4.27Å; F44-Q59 HydrophobicContact CG-CG 4.17Å; F44-I60 CarbonylContact C-O 3.55Å; F44-I60 WeakPolarHBondContact CA-O 3.47Å; F44-I60 VanDerWaalsContact CB-O 3.27Å; F44-I60 WeakPolarHBondContact CB-O 3.47Å; F44-W61 HydrophobicContact CB-CD2 3.85Å; F44-W61 HydrophobicContact CB-CE3 4.13Å; F44-W61 HydrophobicContact CB-CG 4.02Å; F44-W61 HydrophobicContact CD1-CE3 4.33Å; F44-W61 AromaticContact CD1-CH2 3.93Å; F44-W61 HydrophobicContact CD1-CH2 3.93Å; F44-W61 HydrophobicContact CD1-CZ2 4.17Å; F44-W61 HydrophobicContact CD1-CZ3 4Å; F44-W61 HydrophobicContact CE1-CH2 4.37Å; F44-W61 HydrophobicContact CG-CD2 4.43Å; F44-W61 HydrophobicContact CG-CZ2 4.4Å
45	L	97.6	Very high	91.1	Very high	43 Å²	43	78.6 Å²	78.6	23%	0.225	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	149.4	172.5	-66.3	179.1	0	0	0	110	M24 V28 I60	M24-L45 HydrophobicContact CE-CD1 4Å; M24-L45 HydrophobicContact CE-CG 4.12Å; M24-L45 HydrophobicContact CG-CD1 4.16Å; M24-L45 HydrophobicContact SD-CB 4.31Å; M24-L45 HydrophobicContact SD-CD1 4.28Å; M24-L45 HydrophobicContact SD-CG 4.15Å; V28-L45 HydrophobicContact CB-CB 4.41Å; V28-L45 HydrophobicContact CB-CD1 3.96Å; V28-L45 HydrophobicContact CG1-CB 4.09Å; V28-L45 HydrophobicContact CG1-CD1 3.99Å; V28-L45 HydrophobicContact CG2-CB 3.95Å; V28-L45 HydrophobicContact CG2-CD1 4.18Å; L45-I60 PolarHBondContact N-O 3.45Å; L45-I60 PolarHBondContact O-N 2.91Å
46	N	97.6	Very high	91.7	Very high	87 Å²	87	71.7 Å²	71.7	47%	0.465	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	143.5	173.9	-68.9	-21.1	0	0	0	110.5	T57 L58 Q59	N46-T57 HydrophobicContact CB-CG2 4.5Å; N46-L58 CarbonylContact C-O 3.52Å; N46-L58 VanDerWaalsContact CA-O 3.24Å; N46-L58 WeakPolarHBondContact CA-O 3.33Å; N46-Q59 WeakPolarHBondContact OD1-CG 3.49Å
47	R	96.5	Very high	92.7	Very high	78 Å²	78	69.2 Å²	69.2	29%	0.294	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	125.4	167.4	-169.5	-177.9	-175.9	173	3.8	109.9	Y27 V28 L49 L58	Y27-R47 HydrophobicContact CE1-CB 4.39Å; Y27-R47 HydrophobicContact CE1-CG 4.4Å; Y27-R47 VanDerWaalsContact CG-NH1 3.28Å; Y27-R47 VanDerWaalsContact CZ-NH1 3.25Å; Y27-R47 VanDerWaalsContact O-CZ 3.22Å; Y27-R47 PolarHBondContact O-NH1 3.36Å; V28-R47 HydrophobicContact CG2-CB 4.39Å; R47-L49 WeakPolarHBondContact O-CD2 3.42Å; R47-L58 PolarHBondContact N-O 2.8Å; R47-L58 PolarHBondContact O-N 3.41Å
48	D	96.9	Very high	93.4	Very high	120 Å²	120	60.2 Å²	60.2	64%	0.642	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	137.1	170.6	-63.8	-29.3	0	0	0	109.9	V56 T57	D48-V56 WeakPolarHBondContact CA-O 3.27Å; D48-T57 VanDerWaalsContact OD1-CB 3.3Å; D48-T57 WeakPolarHBondContact OD1-CB 3.24Å; D48-T57 VanDerWaalsContact OD1-CG2 3.31Å; D48-T57 WeakPolarHBondContact OD1-CG2 3.41Å; D48-T57 PolarHBondContact OD1-OG1 3.16Å
49	L	95.3	Very high	93.9	Very high	28 Å²	28	56.5 Å²	56.5	15%	0.147	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	166.1	177.7	57.5	162.8	0	0	0	111.6	Y27 R47 V51 V56 L58 E166 V169	Y27-L49 VanDerWaalsContact OH-CD1 3.29Å; Y27-L49 WeakPolarHBondContact OH-CD1 3.42Å; R47-L49 WeakPolarHBondContact O-CD2 3.42Å; L49-V51 HydrophobicContact CD1-CG2 3.58Å; L49-V51 HydrophobicContact CG-CG2 4.19Å; L49-V56 PolarHBondContact N-O 3.26Å; L49-V56 PolarHBondContact O-N 3.43Å; L49-V56 VanDerWaalsContact O-O 3.1Å; L49-L58 HydrophobicContact CD1-CD1 4.37Å; L49-L58 HydrophobicContact CD2-CB 4.04Å; L49-L58 HydrophobicContact CD2-CD1 3.44Å; L49-L58 VanDerWaalsContact CD2-CD1 3.44Å; L49-L58 HydrophobicContact CD2-CD2 4.41Å; L49-L58 HydrophobicContact CD2-CG 4.14Å; L49-L58 HydrophobicContact CG-CD1 4.21Å; L49-E166 HydrophobicContact CD1-CG 4.3Å; L49-V169 HydrophobicContact CD1-CG2 4.4Å
50	E	94.5	Very high	94.5	Very high	116 Å²	116	55 Å²	55	54%	0.542	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	121.1	170.9	-174.8	167.4	160.3	0	0	108.7	R3 G53 R54	R3-E50 IonicContact NH1-OE1 2.71Å; R3-E50 PolarHBondContact NH1-OE1 3.1Å; R3-E50 IonicContact NH1-OE2 3.84Å; E50-G53 VanDerWaalsContact OE1-CA 3.24Å; E50-G53 WeakPolarHBondContact OE1-CA 3.28Å; E50-R54 WeakPolarHBondContact CA-O 3.28Å
51	V	92.5	Very high	95.1	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.03	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	122.5	178.2	-178.5	0	0	0	0	108.3	L49 G53 R54 E166 V169 R170	L49-V51 HydrophobicContact CD1-CG2 3.58Å; L49-V51 HydrophobicContact CG-CG2 4.19Å; V51-G53 PolarHBondContact O-N 3.03Å; V51-G53 VanDerWaalsContact O-N 3.15Å; V51-R54 PolarHBondContact N-O 3.25Å; V51-R54 WeakPolarHBondContact O-CB 3.32Å; V51-R54 PolarHBondContact O-N 2.74Å; V51-E166 HydrophobicContact CG2-CG 4.35Å; V51-V169 HydrophobicContact CB-CG1 3.89Å; V51-V169 HydrophobicContact CG1-CB 4.45Å; V51-V169 HydrophobicContact CG1-CG1 4.13Å; V51-V169 HydrophobicContact CG2-CB 4.08Å; V51-V169 HydrophobicContact CG2-CG1 3.78Å; V51-V169 HydrophobicContact CG2-CG2 4.34Å; V51-R170 HydrophobicContact CG1-CG 3.56Å
52	D	90.1	Very high	95.6	Very high	117 Å²	117	50.3 Å²	50.3	63%	0.626	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	38.2	-178.3	-56.5	-33.4	0	0	0	113.7	R54 R170	D52-R54 VanDerWaalsContact C-N 3.3Å; D52-R54 PolarHBondContact O-N 3.49Å; D52-R170 WeakPolarHBondContact OD2-CD 3.43Å; D52-R170 WeakPolarHBondContact OD2-CG 3.43Å
53	G	90.1	Very high	95.7	Very high	25 Å²	25	48.5 Å²	48.5	26%	0.258	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	4.5	-179.3	0	0	0	0	0	115	R3 E50 V51	R3-G53 PolarHBondContact NE-O 3.28Å; R3-G53 PolarHBondContact NH1-O 2.97Å; R3-G53 VanDerWaalsContact NH1-O 3.13Å; R3-G53 PolarHBondContact NH2-O 2.95Å; E50-G53 VanDerWaalsContact OE1-CA 3.24Å; E50-G53 WeakPolarHBondContact OE1-CA 3.28Å; V51-G53 PolarHBondContact O-N 3.03Å; V51-G53 VanDerWaalsContact O-N 3.15Å
54	R	90.7	Very high	95.7	Very high	78 Å²	78	43.4 Å²	43.4	29%	0.294	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	120.4	179.2	-66.1	-173.2	-87.5	-163.2	-1.2	110	E50 V51 D52 D177	E50-R54 WeakPolarHBondContact CA-O 3.28Å; V51-R54 PolarHBondContact N-O 3.25Å; V51-R54 WeakPolarHBondContact O-CB 3.32Å; V51-R54 PolarHBondContact O-N 2.74Å; D52-R54 VanDerWaalsContact C-N 3.3Å; D52-R54 PolarHBondContact O-N 3.49Å; R54-D177 IonicContact CZ-OD2 3.95Å; R54-D177 IonicContact NH1-OD1 3.7Å; R54-D177 PolarHBondContact NH1-OD1 3.27Å; R54-D177 IonicContact NH1-OD2 3.05Å; R54-D177 PolarHBondContact NH1-OD2 2.92Å; R54-D177 IonicContact NH2-OD2 2.82Å
55	P	94.8	Very high	95.6	Very high	36 Å²	36	39.4 Å²	39.4	23%	0.234	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	130.8	173.6	29.3	-32.6	0	0	0	110.2	R3 N5 V6	R3-P55 HydrophobicContact CB-CG 3.95Å; N5-P55 PolarHBondContact OD1-O 2.71Å; V6-P55 PolarHBondContact N-O 2.68Å
56	V	96.6	Very high	95.4	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	136.3	-177.5	-170.6	0	0	0	0	109.7	N5 V6 L8 D48 L49 L58 V169 L173	N5-V56 WeakPolarHBondContact OD1-CA 3.26Å; N5-V56 PolarHBondContact OD1-N 3.29Å; V6-V56 CarbonylContact O-C 3.28Å; V6-V56 VanDerWaalsContact O-CA 3.31Å; V6-V56 WeakPolarHBondContact O-CA 3.42Å; V6-V56 WeakPolarHBondContact O-CG1 3.35Å; L8-V56 HydrophobicContact CB-CG1 4.23Å; L8-V56 HydrophobicContact CD1-CG1 3.75Å; L8-V56 HydrophobicContact CG-CG1 3.72Å; D48-V56 WeakPolarHBondContact CA-O 3.27Å; L49-V56 PolarHBondContact N-O 3.26Å; L49-V56 PolarHBondContact O-N 3.43Å; L49-V56 VanDerWaalsContact O-O 3.1Å; V56-L58 HydrophobicContact CB-CD1 4.15Å; V56-L58 HydrophobicContact CG1-CD1 3.43Å; V56-L58 VanDerWaalsContact CG1-CD1 3.43Å; V56-V169 HydrophobicContact CG1-CG1 4.41Å; V56-V169 HydrophobicContact CG2-CG1 4Å; V56-L173 HydrophobicContact CG2-CD1 4.44Å
57	T	97.6	Very high	95	Very high	17 Å²	17	43 Å²	43	10%	0.104	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	115.4	162.4	-62	0	0	0	0	108.3	N5 V6 L7 L8 N46 D48	N5-T57 PolarHBondContact ND2-OG1 2.82Å; N5-T57 PolarHBondContact OD1-N 3.49Å; V6-T57 PolarHBondContact O-N 2.85Å; L7-T57 WeakPolarHBondContact CA-O 3.27Å; L7-T57 HydrophobicContact CD1-CG2 3.73Å; L8-T57 PolarHBondContact N-O 2.88Å; N46-T57 HydrophobicContact CB-CG2 4.5Å; D48-T57 VanDerWaalsContact OD1-CB 3.3Å; D48-T57 WeakPolarHBondContact OD1-CB 3.24Å; D48-T57 VanDerWaalsContact OD1-CG2 3.31Å; D48-T57 WeakPolarHBondContact OD1-CG2 3.41Å; D48-T57 PolarHBondContact OD1-OG1 3.16Å
58	L	97.9	Very high	94.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	122.2	172.9	-98.4	69.3	0	0	0	109.2	V10 Y27 N46 R47 L49 V56 I60 F165 V169	V10-L58 HydrophobicContact CG2-CD2 4.23Å; V10-L58 HydrophobicContact CG2-CG 4.32Å; Y27-L58 HydrophobicContact CE1-CD2 4.45Å; N46-L58 CarbonylContact C-O 3.52Å; N46-L58 VanDerWaalsContact CA-O 3.24Å; N46-L58 WeakPolarHBondContact CA-O 3.33Å; R47-L58 PolarHBondContact N-O 2.8Å; R47-L58 PolarHBondContact O-N 3.41Å; L49-L58 HydrophobicContact CD1-CD1 4.37Å; L49-L58 HydrophobicContact CD2-CB 4.04Å; L49-L58 HydrophobicContact CD2-CD1 3.44Å; L49-L58 VanDerWaalsContact CD2-CD1 3.44Å; L49-L58 HydrophobicContact CD2-CD2 4.41Å; L49-L58 HydrophobicContact CD2-CG 4.14Å; L49-L58 HydrophobicContact CG-CD1 4.21Å; V56-L58 HydrophobicContact CB-CD1 4.15Å; V56-L58 HydrophobicContact CG1-CD1 3.43Å; V56-L58 VanDerWaalsContact CG1-CD1 3.43Å; L58-I60 HydrophobicContact CB-CD1 4.49Å; L58-I60 HydrophobicContact CB-CG1 4.12Å; L58-F165 HydrophobicContact CD2-CD1 4.48Å; L58-V169 HydrophobicContact CD1-CG2 3.29Å; L58-V169 HydrophobicContact CD2-CG2 3.71Å; L58-V169 HydrophobicContact CG-CG2 4.01Å
59	Q	98.3	Very high	94.6	Very high	38 Å²	38	43.2 Å²	43.2	18%	0.178	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	107.4	165.2	-171.2	178.8	69.4	0	0	108.4	L7 L8 K9 V10 F44 N46 W61	L7-Q59 HydrophobicContact CD1-CB 4.27Å; L8-Q59 PolarHBondContact O-N 2.9Å; K9-Q59 WeakPolarHBondContact CA-O 3.26Å; V10-Q59 PolarHBondContact N-O 2.85Å; F44-Q59 HydrophobicContact CB-CG 4.34Å; F44-Q59 HydrophobicContact CD2-CG 3.63Å; F44-Q59 HydrophobicContact CE2-CG 4.27Å; F44-Q59 HydrophobicContact CG-CG 4.17Å; N46-Q59 WeakPolarHBondContact OD1-CG 3.49Å; Q59-W61 VanDerWaalsContact CD-NE1 3.28Å; Q59-W61 VanDerWaalsContact CG-NE1 3.31Å; Q59-W61 VanDerWaalsContact OE1-CE2 3.29Å; Q59-W61 VanDerWaalsContact OE1-CZ2 3.26Å
60	I	98.5	Very high	94.6	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	117.5	-172	-54.7	170.9	0	0	0	108.4	V10 L12 M24 Y27 V28 F44 L45 L58 F165	V10-I60 CarbonylContact O-C 3.49Å; V10-I60 WeakPolarHBondContact O-CA 3.35Å; L12-I60 HydrophobicContact CD1-CG2 3.35Å; M24-I60 HydrophobicContact CB-CG2 4.29Å; M24-I60 HydrophobicContact CG-CB 4.31Å; M24-I60 HydrophobicContact CG-CG2 3.79Å; M24-I60 HydrophobicContact SD-CG2 4.18Å; Y27-I60 HydrophobicContact CD1-CD1 3.44Å; Y27-I60 VanDerWaalsContact CD1-CD1 3.44Å; Y27-I60 HydrophobicContact CE1-CD1 3.68Å; V28-I60 HydrophobicContact CG2-CD1 3.82Å; F44-I60 CarbonylContact C-O 3.55Å; F44-I60 WeakPolarHBondContact CA-O 3.47Å; F44-I60 VanDerWaalsContact CB-O 3.27Å; F44-I60 WeakPolarHBondContact CB-O 3.47Å; L45-I60 PolarHBondContact N-O 3.45Å; L45-I60 PolarHBondContact O-N 2.91Å; L58-I60 HydrophobicContact CB-CD1 4.49Å; L58-I60 HydrophobicContact CB-CG1 4.12Å; I60-F165 HydrophobicContact CD1-CD1 4.06Å; I60-F165 HydrophobicContact CD1-CE1 3.84Å; I60-F165 HydrophobicContact CG1-CE1 4.23Å; I60-F165 HydrophobicContact CG2-CE1 3.74Å; I60-F165 HydrophobicContact CG2-CZ 4.27Å
61	W	98.3	Very high	94.6	Very high	30 Å²	30	43.9 Å²	43.9	11%	0.114	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	109	-176.1	-67.3	73.4	0	0	0	110.7	K9 V10 I11 L12 V42 E43 F44 Q59 F76	K9-W61 HydrophobicContact CD-CZ2 4.45Å; K9-W61 HydrophobicContact CG-CG 4.49Å; V10-W61 PolarHBondContact O-N 3.32Å; I11-W61 HydrophobicContact CB-CB 4.28Å; I11-W61 HydrophobicContact CG1-CB 4.02Å; L12-W61 WeakPolarHBondContact CD1-O 3.39Å; L12-W61 PolarHBondContact N-O 3.05Å; V42-W61 HydrophobicContact CG1-CE3 3.43Å; V42-W61 VanDerWaalsContact CG1-CE3 3.43Å; V42-W61 HydrophobicContact CG1-CZ3 3.92Å; E43-W61 CarbonylContact O-C 3.54Å; E43-W61 WeakPolarHBondContact O-CA 3.18Å; F44-W61 HydrophobicContact CB-CD2 3.85Å; F44-W61 HydrophobicContact CB-CE3 4.13Å; F44-W61 HydrophobicContact CB-CG 4.02Å; F44-W61 HydrophobicContact CD1-CE3 4.33Å; F44-W61 AromaticContact CD1-CH2 3.93Å; F44-W61 HydrophobicContact CD1-CH2 3.93Å; F44-W61 HydrophobicContact CD1-CZ2 4.17Å; F44-W61 HydrophobicContact CD1-CZ3 4Å; F44-W61 HydrophobicContact CE1-CH2 4.37Å; F44-W61 HydrophobicContact CG-CD2 4.43Å; F44-W61 HydrophobicContact CG-CZ2 4.4Å; Q59-W61 VanDerWaalsContact CD-NE1 3.28Å; Q59-W61 VanDerWaalsContact CG-NE1 3.31Å; Q59-W61 VanDerWaalsContact OE1-CE2 3.29Å; Q59-W61 VanDerWaalsContact OE1-CZ2 3.26Å; W61-F76 HydrophobicContact CE3-CB 4.24Å; W61-F76 AromaticContact CE3-CD1 3.96Å; W61-F76 HydrophobicContact CE3-CD1 3.96Å; W61-F76 HydrophobicContact CE3-CG 4.35Å; W61-F76 AromaticContact CH2-CD1 3.86Å; W61-F76 HydrophobicContact CH2-CD1 3.86Å; W61-F76 HydrophobicContact CH2-CE1 4.28Å; W61-F76 HydrophobicContact CZ3-CB 4.32Å; W61-F76 AromaticContact CZ3-CD1 3.21Å; W61-F76 HydrophobicContact CZ3-CD1 3.21Å; W61-F76 AromaticContact CZ3-CE1 3.73Å; W61-F76 HydrophobicContact CZ3-CE1 3.73Å; W61-F76 HydrophobicContact CZ3-CG 4.03Å
62	D	97.6	Very high	94.7	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	139.4	168.2	-178.9	45.1	0	0	0	110.7	K20 S21 M24 T39 V42 E43	K20-D62 WeakPolarHBondContact CB-OD1 3.3Å; S21-D62 VanDerWaalsContact CB-OD2 3.29Å; S21-D62 WeakPolarHBondContact CB-OD2 3.46Å; S21-D62 PolarHBondContact N-OD1 2.99Å; S21-D62 VanDerWaalsContact OG-CG 3.29Å; S21-D62 PolarHBondContact OG-OD1 3Å; S21-D62 PolarHBondContact OG-OD2 3.31Å; M24-D62 HydrophobicContact CE-CB 3.65Å; M24-D62 HydrophobicContact SD-CB 3.69Å; T39-D62 PolarHBondContact OG1-OD2 3.32Å; T39-D62 VanDerWaalsContact OG1-OD2 3.13Å; V42-D62 WeakPolarHBondContact CA-O 3.4Å; V42-D62 WeakPolarHBondContact CG1-O 3.31Å; E43-D62 PolarHBondContact N-O 3.38Å; E43-D62 VanDerWaalsContact N-O 3.09Å; E43-D62 PolarHBondContact O-N 3.45Å
63	T	96.9	Very high	94.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	151.4	-175.2	70.5	0	0	0	0	112.9	I11 L12 L13 K20 V42 G65 R73	I11-T63 HydrophobicContact CD1-CG2 3.8Å; I11-T63 HydrophobicContact CG1-CG2 3.71Å; L12-T63 PolarHBondContact O-OG1 3.43Å; L13-T63 HydrophobicContact CD2-CG2 4.09Å; L13-T63 WeakPolarHBondContact CD2-OG1 3.43Å; K20-T63 WeakPolarHBondContact CE-O 3.37Å; V42-T63 HydrophobicContact CG2-CG2 4.36Å; T63-G65 PolarHBondContact O-N 3.48Å; T63-R73 HydrophobicContact CG2-CB 4.47Å
64	A	94.9	Very high	95.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.201	C	C	.	.			trans	-63	118.4	173	0	0	0	0	0	112.7	T39 G41 F69 R73	T39-A64 WeakPolarHBondContact O-CB 3.35Å; G41-A64 WeakPolarHBondContact O-CB 3.46Å; G41-A64 PolarHBondContact O-N 3.28Å; A64-F69 HydrophobicContact CB-CB 3.56Å; A64-F69 HydrophobicContact CB-CD2 3.98Å; A64-F69 HydrophobicContact CB-CG 4.16Å; A64-R73 WeakPolarHBondContact O-CD 3.39Å; A64-R73 PolarHBondContact O-NH1 3.22Å
65	G	94.1	Very high	95.5	Very high	8 Å²	8	42.1 Å²	42.1	8%	0.082	21%	0.214	C	C	.	.			trans	-81.3	-9.4	178.6	0	0	0	0	0	115.4	G14 G16 T63 W101	G14-G65 WeakPolarHBondContact O-CA 3.31Å; G16-G65 PolarHBondContact N-O 3Å; T63-G65 PolarHBondContact O-N 3.48Å; G65-W101 WeakPolarHBondContact O-CZ2 3.35Å
66	Q	93.3	Very high	95.6	Very high	42 Å²	42	44 Å²	44	20%	0.196	22%	0.218	C	C	.	.	S	Bend	trans	-82.4	138.5	179.2	-60.1	-176.8	9.1	0	0	110.7	H38 R68 F69 R73	H38-Q66 PolarHBondContact CD2-NE2 3.41Å; H38-Q66 VanDerWaalsContact CD2-NE2 3.29Å; H38-Q66 PolarHBondContact ND1-NE2 3.44Å; Q66-R68 VanDerWaalsContact C-N 3.27Å; Q66-R68 HydrophobicContact CB-CG 4.22Å; Q66-R68 PolarHBondContact O-N 3.33Å; Q66-F69 HydrophobicContact CB-CD2 3.84Å; Q66-F69 HydrophobicContact CB-CE2 4.31Å; Q66-F69 HydrophobicContact CG-CD2 4.44Å; Q66-F69 PolarHBondContact O-N 3.35Å; Q66-F69 VanDerWaalsContact O-N 3.09Å; Q66-R73 PolarHBondContact O-NH1 3.12Å
67	E	90.2	Very high	95.6	Very high	164 Å²	164	44 Å²	44	77%	0.766	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-56.6	-40.2	-179.7	-172.4	-173.1	-167	0	0	112.7	F69 K70	E67-F69 PolarHBondContact O-N 2.94Å; E67-K70 WeakPolarHBondContact O-CB 3.35Å; E67-K70 PolarHBondContact O-N 3Å
68	R	92.6	Very high	95.5	Very high	180 Å²	180	50.8 Å²	50.8	68%	0.679	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-59.3	-15.1	179.7	73.5	-178.3	-166.5	-178.4	1.2	114.6	Q66	Q66-R68 VanDerWaalsContact C-N 3.27Å; Q66-R68 HydrophobicContact CB-CG 4.22Å; Q66-R68 PolarHBondContact O-N 3.33Å
69	F	93	Very high	95.4	Very high	22 Å²	22	53.3 Å²	53.3	10%	0.096	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-106.6	10.9	178.4	-58.3	-46.5	0	0	0	113.1	I40 A64 Q66 E67 S71 L72 R73	I40-F69 HydrophobicContact CB-CE1 4.48Å; I40-F69 HydrophobicContact CB-CE2 4.33Å; I40-F69 HydrophobicContact CB-CZ 4.14Å; I40-F69 HydrophobicContact CG1-CE2 4.08Å; I40-F69 HydrophobicContact CG1-CZ 3.85Å; I40-F69 HydrophobicContact CG2-CD1 4.21Å; I40-F69 HydrophobicContact CG2-CE1 3.75Å; I40-F69 HydrophobicContact CG2-CE2 4.46Å; I40-F69 HydrophobicContact CG2-CZ 3.86Å; I40-F69 WeakPolarHBondContact O-CG 3.32Å; A64-F69 HydrophobicContact CB-CB 3.56Å; A64-F69 HydrophobicContact CB-CD2 3.98Å; A64-F69 HydrophobicContact CB-CG 4.16Å; Q66-F69 HydrophobicContact CB-CD2 3.84Å; Q66-F69 HydrophobicContact CB-CE2 4.31Å; Q66-F69 HydrophobicContact CG-CD2 4.44Å; Q66-F69 PolarHBondContact O-N 3.35Å; Q66-F69 VanDerWaalsContact O-N 3.09Å; E67-F69 PolarHBondContact O-N 2.94Å; F69-S71 VanDerWaalsContact C-N 3.32Å; F69-S71 PolarHBondContact O-N 3.45Å; F69-L72 HydrophobicContact CB-CD1 4.45Å; F69-L72 HydrophobicContact CD1-CD1 3.99Å; F69-L72 WeakPolarHBondContact O-CB 3.48Å; F69-L72 PolarHBondContact O-N 3.13Å; F69-R73 PolarHBondContact O-N 3.41Å
70	K	93.6	Very high	95.3	Very high	66 Å²	66	51.9 Å²	51.9	29%	0.287	26%	0.263	S	S	.	.	H	α-helix	trans	-53.3	-45.4	180	178.5	170.6	177.5	150.3	0	113.2	E67 L72 R73 T74 E104	E67-K70 WeakPolarHBondContact O-CB 3.35Å; E67-K70 PolarHBondContact O-N 3Å; K70-L72 PolarHBondContact O-N 3.18Å; K70-R73 WeakPolarHBondContact O-CG 3.48Å; K70-R73 PolarHBondContact O-N 3.3Å; K70-R73 VanDerWaalsContact O-N 3.15Å; K70-T74 HydrophobicContact CG-CG2 3.91Å; K70-T74 WeakPolarHBondContact O-CG2 3.41Å; K70-T74 PolarHBondContact O-N 3.24Å; K70-T74 VanDerWaalsContact O-N 3.14Å; K70-T74 PolarHBondContact O-OG1 2.97Å; K70-E104 VanDerWaalsContact CD-OE2 3.31Å; K70-E104 WeakPolarHBondContact CD-OE2 3.44Å; K70-E104 WeakPolarHBondContact CE-OE2 3.42Å; K70-E104 IonicContact NZ-OE2 2.74Å; K70-E104 PolarHBondContact NZ-OE2 3.41Å
71	S	94.4	Very high	95.2	Very high	91 Å²	91	54.3 Å²	54.3	64%	0.636	28%	0.276	S	S	*	.	H	α-helix	trans	-64	-19.6	178.7	55.3	0	0	0	0	113.8	F69	F69-S71 VanDerWaalsContact C-N 3.32Å; F69-S71 PolarHBondContact O-N 3.45Å
72	L	94.7	Very high	95.2	Very high	81 Å²	81	52.9 Å²	52.9	42%	0.424	27%	0.27	S	S	.	.	H	α-helix	trans	-86.8	-26.6	177	-58.6	178.1	0	0	0	112.5	I40 F69 K70 F76	I40-L72 HydrophobicContact CG2-CD1 4.47Å; I40-L72 VanDerWaalsContact O-CD1 3.3Å; I40-L72 WeakPolarHBondContact O-CD1 3.48Å; F69-L72 HydrophobicContact CB-CD1 4.45Å; F69-L72 HydrophobicContact CD1-CD1 3.99Å; F69-L72 WeakPolarHBondContact O-CB 3.48Å; F69-L72 PolarHBondContact O-N 3.13Å; K70-L72 PolarHBondContact O-N 3.18Å; L72-F76 WeakPolarHBondContact O-CD2 3.27Å; L72-F76 VanDerWaalsContact O-CE2 3.25Å; L72-F76 WeakPolarHBondContact O-CE2 3.06Å
73	R	95.3	Very high	95.2	Very high	5 Å²	5	52.9 Å²	52.9	2%	0.019	27%	0.27	C	S	.	.	H	α-helix	trans	-94.2	-37.6	-177.9	71.3	177.9	176.3	-113.9	2.4	114.6	V42 T63 A64 Q66 F69 K70 F76 Y77 W101 E104	V42-R73 HydrophobicContact CG2-CB 4.1Å; T63-R73 HydrophobicContact CG2-CB 4.47Å; A64-R73 WeakPolarHBondContact O-CD 3.39Å; A64-R73 PolarHBondContact O-NH1 3.22Å; Q66-R73 PolarHBondContact O-NH1 3.12Å; F69-R73 PolarHBondContact O-N 3.41Å; K70-R73 WeakPolarHBondContact O-CG 3.48Å; K70-R73 PolarHBondContact O-N 3.3Å; K70-R73 VanDerWaalsContact O-N 3.15Å; R73-F76 WeakPolarHBondContact O-CB 3.47Å; R73-F76 PolarHBondContact O-N 2.93Å; R73-Y77 HydrophobicContact CB-CE1 4.29Å; R73-Y77 WeakPolarHBondContact CD-OH 3.29Å; R73-Y77 HydrophobicContact CG-CE1 4.07Å; R73-Y77 PolarHBondContact NE-OH 3.06Å; R73-W101 VanDerWaalsContact NE-CZ3 3.27Å; R73-E104 IonicContact CZ-OE1 2.88Å; R73-E104 VanDerWaalsContact CZ-OE1 3.3Å; R73-E104 IonicContact NE-OE1 3.01Å; R73-E104 PolarHBondContact NE-OE1 2.57Å; R73-E104 VanDerWaalsContact NH2-CD 3.33Å; R73-E104 IonicContact NH2-OE1 2.87Å; R73-E104 PolarHBondContact NH2-OE1 3.09Å; R73-E104 IonicContact NH2-OE2 3.63Å; R73-E104 PolarHBondContact NH2-OE2 3.39Å
74	T	96.4	Very high	95.3	Very high	16 Å²	16	52.9 Å²	52.9	10%	0.098	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-62.4	-31	-170.1	55.5	0	0	0	0	114.9	K70 F76 Y77 Y108	K70-T74 HydrophobicContact CG-CG2 3.91Å; K70-T74 WeakPolarHBondContact O-CG2 3.41Å; K70-T74 PolarHBondContact O-N 3.24Å; K70-T74 VanDerWaalsContact O-N 3.14Å; K70-T74 PolarHBondContact O-OG1 2.97Å; T74-F76 PolarHBondContact O-N 3.06Å; T74-F76 VanDerWaalsContact O-N 3.09Å; T74-Y77 HydrophobicContact CG2-CE2 4.01Å; T74-Y77 PolarHBondContact O-N 3.11Å; T74-Y108 HydrophobicContact CG2-CD1 4.25Å; T74-Y108 HydrophobicContact CG2-CD2 3.5Å; T74-Y108 VanDerWaalsContact CG2-CD2 3.5Å; T74-Y108 HydrophobicContact CG2-CE1 4.46Å; T74-Y108 HydrophobicContact CG2-CE2 3.75Å; T74-Y108 HydrophobicContact CG2-CG 3.79Å
75	P	96.3	Very high	95.5	Very high	86 Å²	86	52.9 Å²	52.9	56%	0.558	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-59.8	-21.9	174.3	-25.5	36.8	0	0	0	113.9
76	F	96.6	Very high	95.7	Very high	77 Å²	77	52.5 Å²	52.5	34%	0.338	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-90.6	-1.3	-176.8	-61.1	-82.2	0	0	0	113.7	K9 V42 W61 L72 R73 T74	K9-F76 VanDerWaalsContact CE-O 3.29Å; K9-F76 WeakPolarHBondContact CE-O 3.38Å; K9-F76 PolarHBondContact NZ-O 2.96Å; V42-F76 HydrophobicContact CB-CD2 3.93Å; V42-F76 HydrophobicContact CB-CE2 4.04Å; V42-F76 HydrophobicContact CB-CG 4.3Å; V42-F76 HydrophobicContact CG1-CB 4.28Å; V42-F76 HydrophobicContact CG1-CD1 4.35Å; V42-F76 HydrophobicContact CG1-CD2 4.14Å; V42-F76 HydrophobicContact CG1-CG 4Å; V42-F76 HydrophobicContact CG2-CD2 3.49Å; V42-F76 VanDerWaalsContact CG2-CD2 3.49Å; V42-F76 HydrophobicContact CG2-CE2 3.88Å; V42-F76 HydrophobicContact CG2-CG 4.13Å; W61-F76 HydrophobicContact CE3-CB 4.24Å; W61-F76 AromaticContact CE3-CD1 3.96Å; W61-F76 HydrophobicContact CE3-CD1 3.96Å; W61-F76 HydrophobicContact CE3-CG 4.35Å; W61-F76 AromaticContact CH2-CD1 3.86Å; W61-F76 HydrophobicContact CH2-CD1 3.86Å; W61-F76 HydrophobicContact CH2-CE1 4.28Å; W61-F76 HydrophobicContact CZ3-CB 4.32Å; W61-F76 AromaticContact CZ3-CD1 3.21Å; W61-F76 HydrophobicContact CZ3-CD1 3.21Å; W61-F76 AromaticContact CZ3-CE1 3.73Å; W61-F76 HydrophobicContact CZ3-CE1 3.73Å; W61-F76 HydrophobicContact CZ3-CG 4.03Å; L72-F76 WeakPolarHBondContact O-CD2 3.27Å; L72-F76 VanDerWaalsContact O-CE2 3.25Å; L72-F76 WeakPolarHBondContact O-CE2 3.06Å; R73-F76 WeakPolarHBondContact O-CB 3.47Å; R73-F76 PolarHBondContact O-N 2.93Å; T74-F76 PolarHBondContact O-N 3.06Å; T74-F76 VanDerWaalsContact O-N 3.09Å
77	Y	97.3	Very high	96	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.257	C	S	.	.			trans	-73.6	-31.3	178.9	-66.4	5	0	0	0	112.1	I11 L13 R73 T74 G79 A80 E104 F105	I11-Y77 HydrophobicContact CD1-CD1 3.44Å; I11-Y77 VanDerWaalsContact CD1-CD1 3.44Å; I11-Y77 HydrophobicContact CD1-CE1 3.89Å; I11-Y77 HydrophobicContact CD1-CG 4.41Å; L13-Y77 HydrophobicContact CD1-CE1 4.32Å; L13-Y77 HydrophobicContact CD1-CE2 4.24Å; L13-Y77 HydrophobicContact CD2-CD1 4.45Å; L13-Y77 HydrophobicContact CD2-CE1 3.53Å; L13-Y77 WeakPolarHBondContact CD2-OH 3.49Å; R73-Y77 HydrophobicContact CB-CE1 4.29Å; R73-Y77 WeakPolarHBondContact CD-OH 3.29Å; R73-Y77 HydrophobicContact CG-CE1 4.07Å; R73-Y77 PolarHBondContact NE-OH 3.06Å; T74-Y77 HydrophobicContact CG2-CE2 4.01Å; T74-Y77 PolarHBondContact O-N 3.11Å; Y77-G79 PolarHBondContact O-N 3.07Å; Y77-A80 WeakPolarHBondContact O-CB 3.21Å; Y77-A80 PolarHBondContact O-N 2.89Å; Y77-E104 HydrophobicContact CE2-CG 4.1Å; Y77-E104 PolarHBondContact OH-OE1 2.81Å; Y77-F105 HydrophobicContact CD2-CB 4.42Å; Y77-F105 AromaticContact CD2-CD2 3.9Å; Y77-F105 HydrophobicContact CD2-CD2 3.9Å; Y77-F105 HydrophobicContact CE2-CB 4.46Å; Y77-F105 HydrophobicContact CE2-CD2 4.48Å; Y77-F105 AromaticContact CG-CD2 3.96Å; Y77-F105 HydrophobicContact CG-CD2 3.96Å; Y77-F105 HydrophobicContact CG-CE2 4.38Å
78	R	95.9	Very high	96.4	Very high	159 Å²	159	42.7 Å²	42.7	60%	0.6	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	134.4	-179.2	-172.1	-179.2	179.9	82.1	1.9	111.1	K9 A80 D110	K9-R78 PolarHBondContact NZ-O 2.96Å; R78-A80 VanDerWaalsContact C-N 3.25Å; R78-A80 PolarHBondContact O-N 2.92Å; R78-D110 IonicContact CZ-OD2 2.67Å; R78-D110 IonicContact NH1-OD2 3.17Å; R78-D110 PolarHBondContact NH1-OD2 2.67Å; R78-D110 IonicContact NH2-OD2 3.7Å
79	G	94.4	Very high	96.7	Very high	53 Å²	53	34.1 Å²	34.1	55%	0.546	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	16.2	178.6	0	0	0	0	0	114.2	K9 Y77	K9-G79 WeakPolarHBondContact CD-O 3.44Å; Y77-G79 PolarHBondContact O-N 3.07Å
80	A	97.3	Very high	97	Very high	8 Å²	8	34.7 Å²	34.7	7%	0.066	19%	0.192	C	C	.	.			trans	-69.2	138.3	164.6	0	0	0	0	0	109.8	K9 I11 Y77 R78 F105 F117	K9-A80 HydrophobicContact CG-CB 4.34Å; I11-A80 HydrophobicContact CB-CB 4.45Å; I11-A80 HydrophobicContact CG2-CB 3.93Å; Y77-A80 WeakPolarHBondContact O-CB 3.21Å; Y77-A80 PolarHBondContact O-N 2.89Å; R78-A80 VanDerWaalsContact C-N 3.25Å; R78-A80 PolarHBondContact O-N 2.92Å; A80-F105 HydrophobicContact CB-CE2 3.99Å; A80-F105 HydrophobicContact CB-CZ 3.98Å; A80-F117 HydrophobicContact CB-CZ 4.44Å; A80-F117 VanDerWaalsContact O-CE2 3.23Å; A80-F117 WeakPolarHBondContact O-CE2 3.22Å; A80-F117 WeakPolarHBondContact O-CZ 3.5Å
81	D	96.9	Very high	97.2	Very high	52 Å²	52	34 Å²	34	28%	0.278	19%	0.192	S	C	.	.	S	Bend	trans	-93.4	-27	177.2	-54.6	-57.1	0	0	0	111	L8 K9 P118 V172	L8-D81 WeakPolarHBondContact CA-OD2 3.24Å; L8-D81 HydrophobicContact CD2-CB 4.34Å; K9-D81 PolarHBondContact N-OD2 3.11Å; K9-D81 PolarHBondContact O-N 3.06Å; D81-P118 WeakPolarHBondContact O-CG 3.18Å; D81-V172 HydrophobicContact CB-CG1 4Å; D81-V172 HydrophobicContact CB-CG2 4.23Å; D81-V172 WeakPolarHBondContact O-CG2 3.47Å
82	C	97.7	Very high	97.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	149.5	173.4	-176.3	0	0	0	0	112	K9 V10 I11 P118 V172	K9-C82 PolarHBondContact O-N 3.13Å; V10-C82 WeakPolarHBondContact CA-O 3.42Å; V10-C82 HydrophobicContact CG2-CB 4.38Å; I11-C82 PolarHBondContact N-O 3.36Å; C82-P118 WeakPolarHBondContact CA-O 3.5Å; C82-P118 HydrophobicContact CB-CB 4.06Å; C82-P118 PolarHBondContact SG-O 2.98Å; C82-V172 HydrophobicContact CB-CG2 3.57Å
83	C	98.4	Very high	97.5	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	123.7	173.3	-178.2	0	0	0	0	111.1	I11 F105 F117 P118 F119 V120	I11-C83 HydrophobicContact CG2-CB 4Å; I11-C83 WeakPolarHBondContact O-CA 3.39Å; C83-F105 HydrophobicContact CB-CD1 4.39Å; C83-F105 HydrophobicContact CB-CD2 4.34Å; C83-F105 HydrophobicContact CB-CE1 4.29Å; C83-F105 HydrophobicContact CB-CE2 4.24Å; C83-F105 HydrophobicContact CB-CG 4.41Å; C83-F105 HydrophobicContact CB-CZ 4.21Å; C83-F117 HydrophobicContact CB-CE1 3.81Å; C83-P118 PolarHBondContact N-O 3.3Å; C83-F119 HydrophobicContact CB-CD1 3.63Å; C83-F119 HydrophobicContact CB-CE1 3.58Å; C83-F119 WeakPolarHBondContact O-CA 3.22Å; C83-V120 PolarHBondContact O-N 3.09Å
84	L	98.8	Very high	97.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	101	172.5	-57.1	-176.3	0	0	0	109.2	V10 I11 L12 L13 T86 V120 L122 F165 A168	V10-L84 HydrophobicContact CG1-CD1 3.64Å; V10-L84 HydrophobicContact CG1-CD2 4.25Å; V10-L84 HydrophobicContact CG1-CG 3.58Å; I11-L84 PolarHBondContact O-N 2.68Å; L12-L84 HydrophobicContact CD2-CD1 4.33Å; L12-L84 HydrophobicContact CG-CB 4.22Å; L12-L84 HydrophobicContact CG-CD1 4.13Å; L13-L84 PolarHBondContact N-O 2.82Å; L84-T86 PolarHBondContact O-N 2.89Å; L84-T86 PolarHBondContact O-OG1 2.89Å; L84-V120 CarbonylContact C-O 3.55Å; L84-V120 WeakPolarHBondContact CA-O 3.42Å; L84-V120 HydrophobicContact CD2-CB 3.63Å; L84-V120 HydrophobicContact CD2-CG1 4.15Å; L84-V120 HydrophobicContact CD2-CG2 4.26Å; L84-L122 HydrophobicContact CB-CD1 4.13Å; L84-L122 HydrophobicContact CD1-CD1 4.21Å; L84-F165 HydrophobicContact CD1-CD1 3.85Å; L84-F165 HydrophobicContact CD1-CE1 3.47Å; L84-F165 VanDerWaalsContact CD1-CE1 3.47Å; L84-F165 HydrophobicContact CD1-CZ 3.97Å; L84-A168 HydrophobicContact CD2-CB 3.84Å
85	L	98.8	Very high	97.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	112.8	175.3	-72.3	176.7	0	0	0	109.3	L13 L98 W101 K102 F119 V120 V121 L122 W141	L13-L85 HydrophobicContact CB-CD2 4.27Å; L85-L98 HydrophobicContact CB-CD2 4.12Å; L85-W101 HydrophobicContact CD2-CB 3.79Å; L85-K102 HydrophobicContact CD1-CB 3.97Å; L85-K102 HydrophobicContact CD1-CG 4.29Å; L85-F119 HydrophobicContact CD1-CD1 3.73Å; L85-F119 HydrophobicContact CD1-CE1 4.16Å; L85-F119 HydrophobicContact CD1-CG 4.47Å; L85-F119 HydrophobicContact CG-CD1 3.93Å; L85-F119 HydrophobicContact CG-CE1 4.36Å; L85-V120 PolarHBondContact N-O 3.13Å; L85-V121 HydrophobicContact CB-CG2 4.37Å; L85-V121 CarbonylContact O-C 3.59Å; L85-V121 WeakPolarHBondContact O-CA 3.42Å; L85-L122 PolarHBondContact O-N 3.15Å; L85-W141 HydrophobicContact CD1-CH2 4.11Å
86	T	98.9	Very high	97.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	128.6	-170.1	-49.2	0	0	0	0	110.9	L13 G14 V18 K20 L23 L84 L122 N124	L13-T86 WeakPolarHBondContact O-CB 3.4Å; L13-T86 PolarHBondContact O-N 3.46Å; G14-T86 VanDerWaalsContact CA-O 3.29Å; G14-T86 WeakPolarHBondContact CA-O 3.37Å; V18-T86 HydrophobicContact CB-CG2 4.43Å; V18-T86 HydrophobicContact CG2-CG2 3.8Å; K20-T86 HydrophobicContact CG-CG2 4.29Å; L23-T86 HydrophobicContact CD1-CG2 3.81Å; L84-T86 PolarHBondContact O-N 2.89Å; L84-T86 PolarHBondContact O-OG1 2.89Å; T86-L122 WeakPolarHBondContact CA-O 3.34Å; T86-L122 HydrophobicContact CG2-CB 4.21Å; T86-N124 HydrophobicContact CG2-CB 4.27Å
87	F	98.9	Very high	98	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	172.9	167	75	-83.2	0	0	0	109.5	V89 S94 F95 L98 V121 L122 G123 N124 V133 A138 Y150	F87-V89 HydrophobicContact CE2-CG1 4.13Å; F87-S94 WeakPolarHBondContact CB-OG 3.42Å; F87-F95 HydrophobicContact CB-CB 4.35Å; F87-F95 HydrophobicContact CD1-CD2 4.09Å; F87-F95 HydrophobicContact CD2-CB 3.72Å; F87-F95 HydrophobicContact CD2-CD2 4.11Å; F87-F95 HydrophobicContact CD2-CG 4.34Å; F87-F95 AromaticContact CE1-CD2 3.93Å; F87-F95 HydrophobicContact CE1-CD2 3.93Å; F87-F95 HydrophobicContact CE1-CE2 4.45Å; F87-F95 HydrophobicContact CE2-CB 4.17Å; F87-F95 AromaticContact CE2-CD2 3.99Å; F87-F95 HydrophobicContact CE2-CD2 3.99Å; F87-F95 HydrophobicContact CE2-CG 4.38Å; F87-F95 HydrophobicContact CG-CB 4.08Å; F87-F95 HydrophobicContact CG-CD2 4.15Å; F87-F95 AromaticContact CZ-CD2 3.88Å; F87-F95 HydrophobicContact CZ-CD2 3.88Å; F87-F95 HydrophobicContact CZ-CE2 4.43Å; F87-L98 HydrophobicContact CB-CD2 4.13Å; F87-L98 HydrophobicContact CB-CG 4.42Å; F87-L98 HydrophobicContact CD1-CD1 3.79Å; F87-L98 HydrophobicContact CD1-CD2 4.46Å; F87-L98 HydrophobicContact CD1-CG 4.47Å; F87-L98 HydrophobicContact CE1-CD1 4.31Å; F87-L98 HydrophobicContact CG-CD1 4.45Å; F87-V121 HydrophobicContact CD1-CG1 4.23Å; F87-V121 HydrophobicContact CE1-CG1 4.01Å; F87-L122 VanDerWaalsContact CD1-O 3.26Å; F87-L122 WeakPolarHBondContact CD1-O 3.45Å; F87-L122 PolarHBondContact N-O 3.19Å; F87-G123 VanDerWaalsContact CE1-CA 3.45Å; F87-N124 WeakPolarHBondContact O-CB 3.47Å; F87-N124 PolarHBondContact O-N 2.9Å; F87-V133 HydrophobicContact CD2-CG2 4.46Å; F87-V133 HydrophobicContact CE2-CB 3.96Å; F87-V133 HydrophobicContact CE2-CG1 3.77Å; F87-V133 HydrophobicContact CE2-CG2 4.18Å; F87-V133 HydrophobicContact CZ-CG1 4.18Å; F87-A138 HydrophobicContact CE1-CB 4.32Å; F87-A138 HydrophobicContact CZ-CB 3.84Å; F87-Y150 AromaticContact CE1-CE2 3.76Å; F87-Y150 HydrophobicContact CE1-CE2 3.76Å; F87-Y150 HydrophobicContact CZ-CE2 4.02Å
88	A	98.6	Very high	98.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133.8	171	0	0	0	0	0	110.1	V18 N90 D91 S94 N124 K125	V18-A88 HydrophobicContact CB-CB 4.29Å; V18-A88 HydrophobicContact CG1-CB 4.45Å; A88-N90 WeakPolarHBondContact CB-OD1 3.38Å; A88-N90 PolarHBondContact O-N 3.34Å; A88-D91 HydrophobicContact CB-CB 4.22Å; A88-D91 PolarHBondContact O-N 2.81Å; A88-S94 PolarHBondContact N-OG 2.88Å; A88-S94 VanDerWaalsContact N-OG 3.07Å; A88-N124 CarbonylContact C-O 3.54Å; A88-N124 WeakPolarHBondContact CA-O 3.46Å; A88-K125 HydrophobicContact CB-CD 3.98Å; A88-K125 HydrophobicContact CB-CG 4.21Å
89	V	98.7	Very high	98.2	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.006	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-16.9	-175.9	-58.5	0	0	0	0	113.2	F87 N124 K125 V126 R131 E132 V133	F87-V89 HydrophobicContact CE2-CG1 4.13Å; V89-N124 PolarHBondContact N-O 3.26Å; V89-K125 WeakPolarHBondContact CG2-O 3.48Å; V89-V126 HydrophobicContact CG1-CG1 3.85Å; V89-V126 HydrophobicContact CG2-CG1 4.19Å; V89-R131 HydrophobicContact CB-CG 4.28Å; V89-E132 PolarHBondContact O-N 2.78Å; V89-V133 PolarHBondContact O-N 2.78Å; V89-V133 VanDerWaalsContact O-N 3.17Å
90	N	98.3	Very high	98.3	Very high	34 Å²	34	27.4 Å²	27.4	18%	0.182	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	16.5	176	77.5	-66.2	0	0	0	113.3	A88 K125 M128 R130	A88-N90 WeakPolarHBondContact CB-OD1 3.38Å; A88-N90 PolarHBondContact O-N 3.34Å; N90-K125 WeakPolarHBondContact OD1-CD 3.38Å; N90-M128 HydrophobicContact CB-CB 4.41Å; N90-M128 HydrophobicContact CB-CE 4.43Å; N90-M128 HydrophobicContact CB-SD 4.18Å; N90-R130 WeakPolarHBondContact CA-O 3.41Å; N90-R130 WeakPolarHBondContact CB-O 2.91Å
91	D	98.4	Very high	98.4	Very high	51 Å²	51	27.6 Å²	27.6	27%	0.273	15%	0.15	S	C	.	.			trans	-143.9	95.4	-179.5	180	-16.4	0	0	0	110	A88 Q93 S94 F95	A88-D91 HydrophobicContact CB-CB 4.22Å; A88-D91 PolarHBondContact O-N 2.81Å; D91-Q93 VanDerWaalsContact C-N 3.28Å; D91-Q93 PolarHBondContact O-N 2.72Å; D91-Q93 WeakPolarHBondContact OD1-CB 3.13Å; D91-Q93 PolarHBondContact OD1-N 3.06Å; D91-Q93 VanDerWaalsContact OD1-N 3.08Å; D91-S94 PolarHBondContact O-N 2.96Å; D91-S94 PolarHBondContact O-OG 3.43Å; D91-S94 PolarHBondContact OD1-N 3.43Å; D91-F95 PolarHBondContact O-N 3Å
92	L	98.4	Very high	98.4	Very high	66 Å²	66	27 Å²	27	35%	0.346	15%	0.145	S	C	.	.	H	α-helix	trans	-60.1	-36.5	179.9	178.1	61.2	0	0	0	112.7	S94 F95 L96 E132 V133	L92-S94 VanDerWaalsContact C-N 3.31Å; L92-S94 PolarHBondContact O-N 2.97Å; L92-F95 HydrophobicContact CD1-CD1 4.33Å; L92-F95 WeakPolarHBondContact O-CB 3.47Å; L92-F95 PolarHBondContact O-N 3.37Å; L92-L96 HydrophobicContact CD1-CG 4.27Å; L92-L96 HydrophobicContact CG-CD1 4.18Å; L92-L96 HydrophobicContact CG-CG 4.35Å; L92-L96 WeakPolarHBondContact O-CG 3.45Å; L92-L96 PolarHBondContact O-N 3.32Å; L92-E132 HydrophobicContact CB-CB 4.14Å; L92-E132 PolarHBondContact N-OE2 2.6Å; L92-V133 HydrophobicContact CB-CG2 4.37Å; L92-V133 HydrophobicContact CD1-CG2 3.96Å
93	Q	98.5	Very high	98.3	Very high	106 Å²	106	34.3 Å²	34.3	50%	0.495	18%	0.177	S	C	.	.	H	α-helix	trans	-65.3	-39.2	-178.1	-174.6	59.9	61.2	0	0	111	D91 F95 L96 N97	D91-Q93 VanDerWaalsContact C-N 3.28Å; D91-Q93 PolarHBondContact O-N 2.72Å; D91-Q93 WeakPolarHBondContact OD1-CB 3.13Å; D91-Q93 PolarHBondContact OD1-N 3.06Å; D91-Q93 VanDerWaalsContact OD1-N 3.08Å; Q93-F95 VanDerWaalsContact C-N 3.25Å; Q93-F95 PolarHBondContact O-N 2.96Å; Q93-L96 PolarHBondContact O-N 3.23Å; Q93-N97 PolarHBondContact NE2-ND2 3.15Å; Q93-N97 PolarHBondContact NE2-OD1 3.4Å; Q93-N97 VanDerWaalsContact NE2-OD1 3.1Å; Q93-N97 WeakPolarHBondContact O-CB 3.49Å; Q93-N97 VanDerWaalsContact O-CG 3.26Å; Q93-N97 PolarHBondContact O-N 3.27Å; Q93-N97 PolarHBondContact O-ND2 2.83Å
94	S	98.7	Very high	98.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.5	-34.1	176.2	76.7	0	0	0	0	112.9	F87 A88 D91 L92	F87-S94 WeakPolarHBondContact CB-OG 3.42Å; A88-S94 PolarHBondContact N-OG 2.88Å; A88-S94 VanDerWaalsContact N-OG 3.07Å; D91-S94 PolarHBondContact O-N 2.96Å; D91-S94 PolarHBondContact O-OG 3.43Å; D91-S94 PolarHBondContact OD1-N 3.43Å; L92-S94 VanDerWaalsContact C-N 3.31Å; L92-S94 PolarHBondContact O-N 2.97Å
95	F	98.8	Very high	98.2	Very high	8 Å²	8	35.4 Å²	35.4	4%	0.035	18%	0.182	C	C	.	.	H	α-helix	trans	-71.5	-47.5	174.8	173.7	-111.1	0	0	0	112.1	F87 D91 L92 Q93 N97 L98 V133 E137 A138 W141	F87-F95 HydrophobicContact CB-CB 4.35Å; F87-F95 HydrophobicContact CD1-CD2 4.09Å; F87-F95 HydrophobicContact CD2-CB 3.72Å; F87-F95 HydrophobicContact CD2-CD2 4.11Å; F87-F95 HydrophobicContact CD2-CG 4.34Å; F87-F95 AromaticContact CE1-CD2 3.93Å; F87-F95 HydrophobicContact CE1-CD2 3.93Å; F87-F95 HydrophobicContact CE1-CE2 4.45Å; F87-F95 HydrophobicContact CE2-CB 4.17Å; F87-F95 AromaticContact CE2-CD2 3.99Å; F87-F95 HydrophobicContact CE2-CD2 3.99Å; F87-F95 HydrophobicContact CE2-CG 4.38Å; F87-F95 HydrophobicContact CG-CB 4.08Å; F87-F95 HydrophobicContact CG-CD2 4.15Å; F87-F95 AromaticContact CZ-CD2 3.88Å; F87-F95 HydrophobicContact CZ-CD2 3.88Å; F87-F95 HydrophobicContact CZ-CE2 4.43Å; D91-F95 PolarHBondContact O-N 3Å; L92-F95 HydrophobicContact CD1-CD1 4.33Å; L92-F95 WeakPolarHBondContact O-CB 3.47Å; L92-F95 PolarHBondContact O-N 3.37Å; Q93-F95 VanDerWaalsContact C-N 3.25Å; Q93-F95 PolarHBondContact O-N 2.96Å; F95-N97 PolarHBondContact O-N 2.8Å; F95-N97 VanDerWaalsContact O-N 3.16Å; F95-L98 HydrophobicContact CD2-CD1 3.74Å; F95-L98 HydrophobicContact CD2-CG 4.48Å; F95-L98 HydrophobicContact CE2-CD1 4.07Å; F95-L98 VanDerWaalsContact O-CB 3.31Å; F95-L98 WeakPolarHBondContact O-CB 3.45Å; F95-L98 VanDerWaalsContact O-CG 3.23Å; F95-L98 WeakPolarHBondContact O-CG 3.39Å; F95-L98 PolarHBondContact O-N 2.96Å; F95-V133 HydrophobicContact CB-CG1 4.16Å; F95-V133 HydrophobicContact CB-CG2 3.64Å; F95-V133 HydrophobicContact CD1-CG1 3.74Å; F95-V133 HydrophobicContact CD1-CG2 4.23Å; F95-V133 HydrophobicContact CD2-CG1 3.92Å; F95-V133 HydrophobicContact CE1-CG1 4.05Å; F95-V133 HydrophobicContact CE2-CG1 4.23Å; F95-V133 HydrophobicContact CG-CG1 3.66Å; F95-V133 HydrophobicContact CG-CG2 4.04Å; F95-V133 HydrophobicContact CZ-CG1 4.28Å; F95-E137 HydrophobicContact CE1-CG 3.81Å; F95-E137 HydrophobicContact CZ-CG 4.08Å; F95-A138 HydrophobicContact CE2-CB 4.02Å; F95-W141 HydrophobicContact CE2-CB 4.04Å; F95-W141 HydrophobicContact CE2-CG 4.2Å; F95-W141 HydrophobicContact CZ-CB 3.71Å; F95-W141 HydrophobicContact CZ-CG 4.06Å
96	L	98.4	Very high	98	Very high	95 Å²	95	37.5 Å²	37.5	50%	0.497	19%	0.192	S	C	.	.	H	α-helix	trans	-59.8	-29.6	177	-65.1	177.7	0	0	0	112.2	L92 Q93 L98	L92-L96 HydrophobicContact CD1-CG 4.27Å; L92-L96 HydrophobicContact CG-CD1 4.18Å; L92-L96 HydrophobicContact CG-CG 4.35Å; L92-L96 WeakPolarHBondContact O-CG 3.45Å; L92-L96 PolarHBondContact O-N 3.32Å; Q93-L96 PolarHBondContact O-N 3.23Å; L96-L98 VanDerWaalsContact C-N 3.3Å; L96-L98 PolarHBondContact O-N 3.16Å
97	N	98.7	Very high	97.8	Very high	38 Å²	38	44.9 Å²	44.9	20%	0.203	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-9.8	177.9	-75.2	-19.3	0	0	0	114.4	D15 Q93 F95 S99 C100 W101	D15-N97 PolarHBondContact OD1-ND2 3.03Å; D15-N97 PolarHBondContact OD2-ND2 3.28Å; Q93-N97 PolarHBondContact NE2-ND2 3.15Å; Q93-N97 PolarHBondContact NE2-OD1 3.4Å; Q93-N97 VanDerWaalsContact NE2-OD1 3.1Å; Q93-N97 WeakPolarHBondContact O-CB 3.49Å; Q93-N97 VanDerWaalsContact O-CG 3.26Å; Q93-N97 PolarHBondContact O-N 3.27Å; Q93-N97 PolarHBondContact O-ND2 2.83Å; F95-N97 PolarHBondContact O-N 2.8Å; F95-N97 VanDerWaalsContact O-N 3.16Å; N97-S99 VanDerWaalsContact C-N 3.26Å; N97-S99 PolarHBondContact O-N 3.2Å; N97-C100 WeakPolarHBondContact O-CA 3.45Å; N97-C100 WeakPolarHBondContact O-CB 3.37Å; N97-C100 PolarHBondContact O-N 3.37Å; N97-W101 PolarHBondContact O-N 3.26Å
98	L	98.6	Very high	97.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-55.4	-40.2	179.1	-70.4	-174.8	0	0	0	112.7	L85 F87 F95 L96 C100 W101 K102 V121 W141	L85-L98 HydrophobicContact CB-CD2 4.12Å; F87-L98 HydrophobicContact CB-CD2 4.13Å; F87-L98 HydrophobicContact CB-CG 4.42Å; F87-L98 HydrophobicContact CD1-CD1 3.79Å; F87-L98 HydrophobicContact CD1-CD2 4.46Å; F87-L98 HydrophobicContact CD1-CG 4.47Å; F87-L98 HydrophobicContact CE1-CD1 4.31Å; F87-L98 HydrophobicContact CG-CD1 4.45Å; F95-L98 HydrophobicContact CD2-CD1 3.74Å; F95-L98 HydrophobicContact CD2-CG 4.48Å; F95-L98 HydrophobicContact CE2-CD1 4.07Å; F95-L98 VanDerWaalsContact O-CB 3.31Å; F95-L98 WeakPolarHBondContact O-CB 3.45Å; F95-L98 VanDerWaalsContact O-CG 3.23Å; F95-L98 WeakPolarHBondContact O-CG 3.39Å; F95-L98 PolarHBondContact O-N 2.96Å; L96-L98 VanDerWaalsContact C-N 3.3Å; L96-L98 PolarHBondContact O-N 3.16Å; L98-C100 VanDerWaalsContact C-N 3.27Å; L98-C100 PolarHBondContact O-N 3.25Å; L98-W101 PolarHBondContact O-N 3.43Å; L98-K102 WeakPolarHBondContact O-CB 3.23Å; L98-K102 PolarHBondContact O-N 2.84Å; L98-V121 HydrophobicContact CD1-CG1 3.91Å; L98-W141 HydrophobicContact CB-CH2 3.87Å; L98-W141 HydrophobicContact CB-CZ2 3.63Å; L98-W141 HydrophobicContact CD1-CD2 4.45Å; L98-W141 HydrophobicContact CD1-CE3 4.26Å; L98-W141 HydrophobicContact CD1-CH2 4.44Å; L98-W141 HydrophobicContact CD1-CZ3 4.27Å
99	S	97.4	Very high	97.5	Very high	38 Å²	38	49.6 Å²	49.6	27%	0.266	24%	0.244	S	C	.	.	H	α-helix	trans	-61.2	-36.5	176.3	-62	0	0	0	0	112.4	N97 K103 W141	N97-S99 VanDerWaalsContact C-N 3.26Å; N97-S99 PolarHBondContact O-N 3.2Å; S99-K103 WeakPolarHBondContact O-CB 3.25Å; S99-K103 VanDerWaalsContact O-CG 3.24Å; S99-K103 WeakPolarHBondContact O-CG 3.29Å; S99-K103 PolarHBondContact O-N 3.17Å; S99-K103 VanDerWaalsContact O-N 3.11Å; S99-W141 PolarHBondContact OG-NE1 3.3Å
100	C	97.8	Very high	97.1	Very high	78 Å²	78	54.8 Å²	54.8	53%	0.527	27%	0.271	S	S	.	.	H	α-helix	trans	-70.2	-43.2	175.9	-65.1	0	0	0	0	111	N97 L98 K103 E104	N97-C100 WeakPolarHBondContact O-CA 3.45Å; N97-C100 WeakPolarHBondContact O-CB 3.37Å; N97-C100 PolarHBondContact O-N 3.37Å; L98-C100 VanDerWaalsContact C-N 3.27Å; L98-C100 PolarHBondContact O-N 3.25Å; C100-K103 PolarHBondContact O-N 2.96Å; C100-E104 WeakPolarHBondContact O-CB 3.45Å; C100-E104 PolarHBondContact O-N 3.02Å
101	W	98.3	Very high	96.6	Very high	13 Å²	13	54.8 Å²	54.8	5%	0.049	27%	0.273	C	S	.	.	H	α-helix	trans	-62.6	-44.8	176.2	-74.1	111	0	0	0	112.8	L13 G14 D15 G65 R73 L85 N97 L98 E104 F105	L13-W101 HydrophobicContact CB-CD2 4.5Å; L13-W101 HydrophobicContact CB-CE3 3.98Å; L13-W101 HydrophobicContact CD1-CE3 4.42Å; L13-W101 HydrophobicContact CD2-CZ3 4.45Å; G14-W101 VanDerWaalsContact C-CE2 3.42Å; G14-W101 VanDerWaalsContact C-CZ2 3.43Å; G14-W101 VanDerWaalsContact O-CZ2 3.25Å; G14-W101 WeakPolarHBondContact O-CZ2 3.5Å; D15-W101 PolarHBondContact OD1-NE1 3.45Å; G65-W101 WeakPolarHBondContact O-CZ2 3.35Å; R73-W101 VanDerWaalsContact NE-CZ3 3.27Å; L85-W101 HydrophobicContact CD2-CB 3.79Å; N97-W101 PolarHBondContact O-N 3.26Å; L98-W101 PolarHBondContact O-N 3.43Å; W101-E104 PolarHBondContact O-N 3.49Å; W101-F105 WeakPolarHBondContact O-CB 3.4Å; W101-F105 PolarHBondContact O-N 3.22Å
102	K	97.3	Very high	95.8	Very high	39 Å²	39	62 Å²	62	17%	0.17	30%	0.302	C	S	.	.	H	α-helix	trans	-58.6	-51.6	175.1	-170.4	177.4	-179.2	-174.7	0	110.6	L85 L98 E104 F105 M106 F119 W141 N145	L85-K102 HydrophobicContact CD1-CB 3.97Å; L85-K102 HydrophobicContact CD1-CG 4.29Å; L98-K102 WeakPolarHBondContact O-CB 3.23Å; L98-K102 PolarHBondContact O-N 2.84Å; K102-E104 VanDerWaalsContact C-N 3.35Å; K102-E104 PolarHBondContact O-N 3.49Å; K102-F105 PolarHBondContact O-N 2.83Å; K102-M106 VanDerWaalsContact O-CG 3.28Å; K102-M106 WeakPolarHBondContact O-CG 3.47Å; K102-M106 PolarHBondContact O-N 3.44Å; K102-F119 HydrophobicContact CG-CE1 4.09Å; K102-F119 HydrophobicContact CG-CE2 4.26Å; K102-F119 HydrophobicContact CG-CZ 3.85Å; K102-W141 HydrophobicContact CD-CH2 4.46Å; K102-N145 PolarHBondContact NZ-O 2.89Å
103	K	95.9	Very high	95.1	Very high	153 Å²	153	64.5 Å²	64.5	67%	0.665	31%	0.312	S	S	*	.	H	α-helix	trans	-59.8	-42.3	177.8	-74	173.3	-176	177	0	112.7	S99 C100 M106 F107	S99-K103 WeakPolarHBondContact O-CB 3.25Å; S99-K103 VanDerWaalsContact O-CG 3.24Å; S99-K103 WeakPolarHBondContact O-CG 3.29Å; S99-K103 PolarHBondContact O-N 3.17Å; S99-K103 VanDerWaalsContact O-N 3.11Å; C100-K103 PolarHBondContact O-N 2.96Å; K103-M106 PolarHBondContact O-N 2.68Å; K103-F107 WeakPolarHBondContact O-CB 3.25Å; K103-F107 PolarHBondContact O-N 2.89Å
104	E	97.1	Very high	94.3	Very high	24 Å²	24	62.3 Å²	62.3	11%	0.112	31%	0.307	C	S	.	.	H	α-helix	trans	-61.9	-46.3	176.9	-171.9	-178.5	104.3	0	0	111.1	K70 R73 Y77 C100 W101 K102 F107 Y108	K70-E104 VanDerWaalsContact CD-OE2 3.31Å; K70-E104 WeakPolarHBondContact CD-OE2 3.44Å; K70-E104 WeakPolarHBondContact CE-OE2 3.42Å; K70-E104 IonicContact NZ-OE2 2.74Å; K70-E104 PolarHBondContact NZ-OE2 3.41Å; R73-E104 IonicContact CZ-OE1 2.88Å; R73-E104 VanDerWaalsContact CZ-OE1 3.3Å; R73-E104 IonicContact NE-OE1 3.01Å; R73-E104 PolarHBondContact NE-OE1 2.57Å; R73-E104 VanDerWaalsContact NH2-CD 3.33Å; R73-E104 IonicContact NH2-OE1 2.87Å; R73-E104 PolarHBondContact NH2-OE1 3.09Å; R73-E104 IonicContact NH2-OE2 3.63Å; R73-E104 PolarHBondContact NH2-OE2 3.39Å; Y77-E104 HydrophobicContact CE2-CG 4.1Å; Y77-E104 PolarHBondContact OH-OE1 2.81Å; C100-E104 WeakPolarHBondContact O-CB 3.45Å; C100-E104 PolarHBondContact O-N 3.02Å; W101-E104 PolarHBondContact O-N 3.49Å; K102-E104 VanDerWaalsContact C-N 3.35Å; K102-E104 PolarHBondContact O-N 3.49Å; E104-F107 PolarHBondContact O-N 2.84Å; E104-Y108 HydrophobicContact CG-CD2 3.74Å; E104-Y108 HydrophobicContact CG-CE2 3.86Å; E104-Y108 VanDerWaalsContact O-CD2 3.31Å; E104-Y108 WeakPolarHBondContact O-CD2 3.38Å; E104-Y108 PolarHBondContact O-N 3.13Å; E104-Y108 VanDerWaalsContact O-N 3.11Å
105	F	97.7	Very high	93.6	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-58.7	-49.5	175.9	-179.5	-94.5	0	0	0	111.5	I11 L13 Y77 A80 C83 W101 K102 F107 Y108 S109 V111 F117 F119	I11-F105 HydrophobicContact CG2-CD2 4.29Å; I11-F105 HydrophobicContact CG2-CE2 3.8Å; L13-F105 HydrophobicContact CD1-CB 3.69Å; L13-F105 HydrophobicContact CD1-CD2 3.84Å; L13-F105 HydrophobicContact CD1-CG 4.12Å; Y77-F105 HydrophobicContact CD2-CB 4.42Å; Y77-F105 AromaticContact CD2-CD2 3.9Å; Y77-F105 HydrophobicContact CD2-CD2 3.9Å; Y77-F105 HydrophobicContact CE2-CB 4.46Å; Y77-F105 HydrophobicContact CE2-CD2 4.48Å; Y77-F105 AromaticContact CG-CD2 3.96Å; Y77-F105 HydrophobicContact CG-CD2 3.96Å; Y77-F105 HydrophobicContact CG-CE2 4.38Å; A80-F105 HydrophobicContact CB-CE2 3.99Å; A80-F105 HydrophobicContact CB-CZ 3.98Å; C83-F105 HydrophobicContact CB-CD1 4.39Å; C83-F105 HydrophobicContact CB-CD2 4.34Å; C83-F105 HydrophobicContact CB-CE1 4.29Å; C83-F105 HydrophobicContact CB-CE2 4.24Å; C83-F105 HydrophobicContact CB-CG 4.41Å; C83-F105 HydrophobicContact CB-CZ 4.21Å; W101-F105 WeakPolarHBondContact O-CB 3.4Å; W101-F105 PolarHBondContact O-N 3.22Å; K102-F105 PolarHBondContact O-N 2.83Å; F105-F107 PolarHBondContact O-N 3.43Å; F105-Y108 PolarHBondContact O-N 3.18Å; F105-S109 WeakPolarHBondContact O-CB 3.4Å; F105-S109 PolarHBondContact O-N 2.73Å; F105-S109 PolarHBondContact O-OG 3.02Å; F105-V111 HydrophobicContact CE1-CG2 4.21Å; F105-F117 HydrophobicContact CD1-CD1 4.37Å; F105-F117 HydrophobicContact CD1-CE1 4.2Å; F105-F117 AromaticContact CE1-CD1 3.57Å; F105-F117 HydrophobicContact CE1-CD1 3.57Å; F105-F117 HydrophobicContact CE1-CD2 4.34Å; F105-F117 AromaticContact CE1-CE1 3.2Å; F105-F117 HydrophobicContact CE1-CE1 3.2Å; F105-F117 HydrophobicContact CE1-CE2 4.03Å; F105-F117 HydrophobicContact CE1-CG 4.13Å; F105-F117 AromaticContact CE1-CZ 3.46Å; F105-F117 HydrophobicContact CE1-CZ 3.46Å; F105-F117 VanDerWaalsContact CE1-CZ 3.46Å; F105-F117 HydrophobicContact CZ-CD1 4.29Å; F105-F117 AromaticContact CZ-CE1 3.47Å; F105-F117 HydrophobicContact CZ-CE1 3.47Å; F105-F117 VanDerWaalsContact CZ-CE1 3.47Å; F105-F117 HydrophobicContact CZ-CE2 4.03Å; F105-F117 AromaticContact CZ-CZ 3.32Å; F105-F117 HydrophobicContact CZ-CZ 3.32Å; F105-F119 AromaticContact CD1-CE1 3.87Å; F105-F119 HydrophobicContact CD1-CE1 3.87Å; F105-F119 AromaticContact CD1-CZ 3.62Å; F105-F119 HydrophobicContact CD1-CZ 3.62Å; F105-F119 HydrophobicContact CE1-CE1 4.44Å; F105-F119 HydrophobicContact CE1-CZ 4.15Å; F105-F119 HydrophobicContact CG-CE1 4.39Å; F105-F119 HydrophobicContact CG-CZ 4.49Å
106	M	95.4	Very high	93	Very high	43 Å²	43	73.9 Å²	73.9	21%	0.212	37%	0.368	C	S	.	.	H	α-helix	trans	-58.1	-36.8	179.2	-63.8	-35.8	-71.3	0	0	112.6	K102 K103 V111 P114 F117 F119	K102-M106 VanDerWaalsContact O-CG 3.28Å; K102-M106 WeakPolarHBondContact O-CG 3.47Å; K102-M106 PolarHBondContact O-N 3.44Å; K103-M106 PolarHBondContact O-N 2.68Å; M106-V111 HydrophobicContact CE-CB 4.36Å; M106-V111 HydrophobicContact CE-CG1 4.47Å; M106-P114 HydrophobicContact CE-CB 3.3Å; M106-P114 HydrophobicContact CE-CG 4.08Å; M106-P114 WeakPolarHBondContact CE-O 3.43Å; M106-F117 HydrophobicContact CE-CB 4.35Å; M106-F119 HydrophobicContact CG-CZ 4.48Å; M106-F119 HydrophobicContact SD-CE2 3.65Å; M106-F119 HydrophobicContact SD-CZ 3.4Å; M106-F119 WeakPolarHBondContact SD-CZ 3.45Å
107	F	95.1	Very high	92.8	Very high	156 Å²	156	70.5 Å²	70.5	68%	0.684	35%	0.349	S	S	*	.	H	α-helix	trans	-71.4	-43.1	-179.7	-175.8	-94.2	0	0	0	113.3	K103 E104 F105	K103-F107 WeakPolarHBondContact O-CB 3.25Å; K103-F107 PolarHBondContact O-N 2.89Å; E104-F107 PolarHBondContact O-N 2.84Å; F105-F107 PolarHBondContact O-N 3.43Å
108	Y	96.4	Very high	92.7	Very high	94 Å²	94	69.4 Å²	69.4	37%	0.369	34%	0.344	S	S	.	.	H	α-helix	trans	-96.3	-16.3	-172.8	-69.7	-74.8	0	0	0	114.7	T74 E104 F105	T74-Y108 HydrophobicContact CG2-CD1 4.25Å; T74-Y108 HydrophobicContact CG2-CD2 3.5Å; T74-Y108 VanDerWaalsContact CG2-CD2 3.5Å; T74-Y108 HydrophobicContact CG2-CE1 4.46Å; T74-Y108 HydrophobicContact CG2-CE2 3.75Å; T74-Y108 HydrophobicContact CG2-CG 3.79Å; E104-Y108 HydrophobicContact CG-CD2 3.74Å; E104-Y108 HydrophobicContact CG-CE2 3.86Å; E104-Y108 VanDerWaalsContact O-CD2 3.31Å; E104-Y108 WeakPolarHBondContact O-CD2 3.38Å; E104-Y108 PolarHBondContact O-N 3.13Å; E104-Y108 VanDerWaalsContact O-N 3.11Å; F105-Y108 PolarHBondContact O-N 3.18Å
109	S	94.3	Very high	92.6	Very high	4 Å²	4	69.8 Å²	69.8	3%	0.028	35%	0.346	C	S	.	.	H	α-helix	trans	-75.6	-21.6	-178.2	58	0	0	0	0	114	F105 V111	F105-S109 WeakPolarHBondContact O-CB 3.4Å; F105-S109 PolarHBondContact O-N 2.73Å; F105-S109 PolarHBondContact O-OG 3.02Å; S109-V111 VanDerWaalsContact C-N 3.25Å; S109-V111 PolarHBondContact O-N 3.09Å; S109-V111 VanDerWaalsContact OG-CG2 3.25Å; S109-V111 WeakPolarHBondContact OG-CG2 3.23Å
110	D	89.5	Confident	92.7	Very high	110 Å²	110	68 Å²	68	59%	0.588	33%	0.333	S	S	*	.			trans	56.2	39.5	-173.7	-168.5	41.4	0	0	0	112.3	R78 K112	R78-D110 IonicContact CZ-OD2 2.67Å; R78-D110 IonicContact NH1-OD2 3.17Å; R78-D110 PolarHBondContact NH1-OD2 2.67Å; R78-D110 IonicContact NH2-OD2 3.7Å; D110-K112 PolarHBondContact O-N 2.86Å
111	V	88.1	Confident	92.7	Very high	35 Å²	35	64.3 Å²	64.3	21%	0.212	31%	0.308	C	S	.	.			trans	-70.3	127	176.6	170.4	0	0	0	0	109.9	F105 M106 S109 E113 F117	F105-V111 HydrophobicContact CE1-CG2 4.21Å; M106-V111 HydrophobicContact CE-CB 4.36Å; M106-V111 HydrophobicContact CE-CG1 4.47Å; S109-V111 VanDerWaalsContact C-N 3.25Å; S109-V111 PolarHBondContact O-N 3.09Å; S109-V111 VanDerWaalsContact OG-CG2 3.25Å; S109-V111 WeakPolarHBondContact OG-CG2 3.23Å; V111-E113 PolarHBondContact O-N 3.37Å; V111-F117 HydrophobicContact CB-CD2 4.2Å; V111-F117 HydrophobicContact CG1-CB 4.06Å; V111-F117 HydrophobicContact CG1-CD2 3.64Å; V111-F117 HydrophobicContact CG1-CG 4.18Å; V111-F117 HydrophobicContact CG2-CD2 3.45Å; V111-F117 VanDerWaalsContact CG2-CD2 3.45Å; V111-F117 HydrophobicContact CG2-CE2 3.66Å; V111-F117 HydrophobicContact CG2-CG 4.2Å
112	K	80.8	Confident	92.7	Very high	202 Å²	202	63.7 Å²	63.7	88%	0.878	31%	0.306	S	S	*	.	S	Bend	trans	-65.9	-36.7	-177.4	-66.5	-177.9	-179.3	176.6	0	113.7	D110 P114	D110-K112 PolarHBondContact O-N 2.86Å; K112-P114 WeakPolarHBondContact O-CD 2.98Å
113	E	84.8	Confident	92.8	Very high	118 Å²	118	61.8 Å²	61.8	55%	0.551	30%	0.298	S	S	*	.			trans	-122.6	84.8	-179.8	-65.6	-178.6	-159.9	0	0	110.2	V111 E115 S116 F117	V111-E113 PolarHBondContact O-N 3.37Å; E113-E115 VanDerWaalsContact C-N 3.29Å; E113-E115 PolarHBondContact O-N 3.03Å; E113-S116 WeakPolarHBondContact CB-OG 3.37Å; E113-S116 PolarHBondContact O-N 2.94Å; E113-S116 PolarHBondContact O-OG 3.25Å; E113-S116 PolarHBondContact OE2-OG 3.23Å; E113-F117 PolarHBondContact O-N 2.9Å
114	P	81.3	Confident	92.9	Very high	61 Å²	61	54.7 Å²	54.7	40%	0.396	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-56.6	-38.5	-174.5	-33.7	39.8	0	0	0	115.4	M106 K112 S116	M106-P114 HydrophobicContact CE-CB 3.3Å; M106-P114 HydrophobicContact CE-CG 4.08Å; M106-P114 WeakPolarHBondContact CE-O 3.43Å; K112-P114 WeakPolarHBondContact O-CD 2.98Å; P114-S116 VanDerWaalsContact C-N 3.33Å; P114-S116 PolarHBondContact O-N 3.41Å
115	E	83.3	Confident	93	Very high	188 Å²	188	56.3 Å²	56.3	88%	0.879	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-75.5	-21.2	-173.7	-58.7	-58.5	147.8	0	0	113.1	E113	E113-E115 VanDerWaalsContact C-N 3.29Å; E113-E115 PolarHBondContact O-N 3.03Å
116	S	86.7	Confident	93	Very high	63 Å²	63	58.1 Å²	58.1	44%	0.441	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-102.8	0.8	179.7	59.2	0	0	0	0	113.2	E113 P114	E113-S116 WeakPolarHBondContact CB-OG 3.37Å; E113-S116 PolarHBondContact O-N 2.94Å; E113-S116 PolarHBondContact O-OG 3.25Å; E113-S116 PolarHBondContact OE2-OG 3.23Å; P114-S116 VanDerWaalsContact C-N 3.33Å; P114-S116 PolarHBondContact O-N 3.41Å
117	F	94.3	Very high	93.1	Very high	23 Å²	23	58.2 Å²	58.2	10%	0.101	29%	0.286	C	S	.	.			trans	-64.8	131	-177.4	-171.1	-93.8	0	0	0	112.2	A80 C83 F105 M106 V111 E113 F119	A80-F117 HydrophobicContact CB-CZ 4.44Å; A80-F117 VanDerWaalsContact O-CE2 3.23Å; A80-F117 WeakPolarHBondContact O-CE2 3.22Å; A80-F117 WeakPolarHBondContact O-CZ 3.5Å; C83-F117 HydrophobicContact CB-CE1 3.81Å; F105-F117 HydrophobicContact CD1-CD1 4.37Å; F105-F117 HydrophobicContact CD1-CE1 4.2Å; F105-F117 AromaticContact CE1-CD1 3.57Å; F105-F117 HydrophobicContact CE1-CD1 3.57Å; F105-F117 HydrophobicContact CE1-CD2 4.34Å; F105-F117 AromaticContact CE1-CE1 3.2Å; F105-F117 HydrophobicContact CE1-CE1 3.2Å; F105-F117 HydrophobicContact CE1-CE2 4.03Å; F105-F117 HydrophobicContact CE1-CG 4.13Å; F105-F117 AromaticContact CE1-CZ 3.46Å; F105-F117 HydrophobicContact CE1-CZ 3.46Å; F105-F117 VanDerWaalsContact CE1-CZ 3.46Å; F105-F117 HydrophobicContact CZ-CD1 4.29Å; F105-F117 AromaticContact CZ-CE1 3.47Å; F105-F117 HydrophobicContact CZ-CE1 3.47Å; F105-F117 VanDerWaalsContact CZ-CE1 3.47Å; F105-F117 HydrophobicContact CZ-CE2 4.03Å; F105-F117 AromaticContact CZ-CZ 3.32Å; F105-F117 HydrophobicContact CZ-CZ 3.32Å; M106-F117 HydrophobicContact CE-CB 4.35Å; V111-F117 HydrophobicContact CB-CD2 4.2Å; V111-F117 HydrophobicContact CG1-CB 4.06Å; V111-F117 HydrophobicContact CG1-CD2 3.64Å; V111-F117 HydrophobicContact CG1-CG 4.18Å; V111-F117 HydrophobicContact CG2-CD2 3.45Å; V111-F117 VanDerWaalsContact CG2-CD2 3.45Å; V111-F117 HydrophobicContact CG2-CE2 3.66Å; V111-F117 HydrophobicContact CG2-CG 4.2Å; E113-F117 PolarHBondContact O-N 2.9Å; F117-F119 HydrophobicContact CB-CD2 4.47Å; F117-F119 HydrophobicContact CB-CE2 4.04Å; F117-F119 AromaticContact CD1-CD2 3.88Å; F117-F119 HydrophobicContact CD1-CD2 3.88Å; F117-F119 HydrophobicContact CD1-CE1 4.25Å; F117-F119 AromaticContact CD1-CE2 3.55Å; F117-F119 HydrophobicContact CD1-CE2 3.55Å; F117-F119 HydrophobicContact CD1-CG 4.37Å; F117-F119 AromaticContact CD1-CZ 3.76Å; F117-F119 HydrophobicContact CD1-CZ 3.76Å; F117-F119 HydrophobicContact CE1-CZ 4.39Å; F117-F119 HydrophobicContact CG-CE2 4.23Å; F117-F119 VanDerWaalsContact O-CD2 3.24Å; F117-F119 WeakPolarHBondContact O-CD2 3.23Å; F117-F119 PolarHBondContact O-N 2.6Å; F117-F119 VanDerWaalsContact O-N 3.15Å
118	P	95.9	Very high	93.1	Very high	15 Å²	15	54.5 Å²	54.5	10%	0.097	27%	0.272	C	S	.	.			trans	-63.1	110.9	178.2	-28.8	39.4	0	0	0	114.2	D81 C82 C83 V171 V172 A175	D81-P118 WeakPolarHBondContact O-CG 3.18Å; C82-P118 WeakPolarHBondContact CA-O 3.5Å; C82-P118 HydrophobicContact CB-CB 4.06Å; C82-P118 PolarHBondContact SG-O 2.98Å; C83-P118 PolarHBondContact N-O 3.3Å; P118-V171 HydrophobicContact CB-CB 4.48Å; P118-V171 HydrophobicContact CB-CG1 3.67Å; P118-V171 HydrophobicContact CG-CG1 4.21Å; P118-V172 HydrophobicContact CB-CG2 4.04Å; P118-V172 HydrophobicContact CG-CG2 4.12Å; P118-A175 HydrophobicContact CG-CB 4.33Å
119	F	97.4	Very high	92.8	Very high	9 Å²	9	59.5 Å²	59.5	4%	0.039	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	142.4	168.2	-72.4	-81.6	0	0	0	111.3	C83 L85 K102 F105 M106 F117 C148 P149	C83-F119 HydrophobicContact CB-CD1 3.63Å; C83-F119 HydrophobicContact CB-CE1 3.58Å; C83-F119 WeakPolarHBondContact O-CA 3.22Å; L85-F119 HydrophobicContact CD1-CD1 3.73Å; L85-F119 HydrophobicContact CD1-CE1 4.16Å; L85-F119 HydrophobicContact CD1-CG 4.47Å; L85-F119 HydrophobicContact CG-CD1 3.93Å; L85-F119 HydrophobicContact CG-CE1 4.36Å; K102-F119 HydrophobicContact CG-CE1 4.09Å; K102-F119 HydrophobicContact CG-CE2 4.26Å; K102-F119 HydrophobicContact CG-CZ 3.85Å; F105-F119 AromaticContact CD1-CE1 3.87Å; F105-F119 HydrophobicContact CD1-CE1 3.87Å; F105-F119 AromaticContact CD1-CZ 3.62Å; F105-F119 HydrophobicContact CD1-CZ 3.62Å; F105-F119 HydrophobicContact CE1-CE1 4.44Å; F105-F119 HydrophobicContact CE1-CZ 4.15Å; F105-F119 HydrophobicContact CG-CE1 4.39Å; F105-F119 HydrophobicContact CG-CZ 4.49Å; M106-F119 HydrophobicContact CG-CZ 4.48Å; M106-F119 HydrophobicContact SD-CE2 3.65Å; M106-F119 HydrophobicContact SD-CZ 3.4Å; M106-F119 WeakPolarHBondContact SD-CZ 3.45Å; F117-F119 HydrophobicContact CB-CD2 4.47Å; F117-F119 HydrophobicContact CB-CE2 4.04Å; F117-F119 AromaticContact CD1-CD2 3.88Å; F117-F119 HydrophobicContact CD1-CD2 3.88Å; F117-F119 HydrophobicContact CD1-CE1 4.25Å; F117-F119 AromaticContact CD1-CE2 3.55Å; F117-F119 HydrophobicContact CD1-CE2 3.55Å; F117-F119 HydrophobicContact CD1-CG 4.37Å; F117-F119 AromaticContact CD1-CZ 3.76Å; F117-F119 HydrophobicContact CD1-CZ 3.76Å; F117-F119 HydrophobicContact CE1-CZ 4.39Å; F117-F119 HydrophobicContact CG-CE2 4.23Å; F117-F119 VanDerWaalsContact O-CD2 3.24Å; F117-F119 WeakPolarHBondContact O-CD2 3.23Å; F117-F119 PolarHBondContact O-N 2.6Å; F117-F119 VanDerWaalsContact O-N 3.15Å; F119-C148 HydrophobicContact CB-CB 4.33Å; F119-P149 WeakPolarHBondContact O-CD 3.4Å
120	V	98.5	Very high	92.8	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	138.4	167.2	176.7	0	0	0	0	108	C83 L84 L85 L122 P149 F151 A168	C83-V120 PolarHBondContact O-N 3.09Å; L84-V120 CarbonylContact C-O 3.55Å; L84-V120 WeakPolarHBondContact CA-O 3.42Å; L84-V120 HydrophobicContact CD2-CB 3.63Å; L84-V120 HydrophobicContact CD2-CG1 4.15Å; L84-V120 HydrophobicContact CD2-CG2 4.26Å; L85-V120 PolarHBondContact N-O 3.13Å; V120-L122 HydrophobicContact CG1-CD2 3.92Å; V120-P149 HydrophobicContact CG1-CB 4.44Å; V120-P149 HydrophobicContact CG2-CB 4.44Å; V120-P149 HydrophobicContact CG2-CG 4.46Å; V120-F151 HydrophobicContact CG1-CD2 3.82Å; V120-F151 HydrophobicContact CG1-CE2 4.1Å; V120-A168 HydrophobicContact CG2-CB 4.15Å
121	V	98.8	Very high	93.1	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	130.9	-178.5	-177.6	0	0	0	0	110.1	L85 F87 L98 W141 C142 C148 P149 Y150 F151	L85-V121 HydrophobicContact CB-CG2 4.37Å; L85-V121 CarbonylContact O-C 3.59Å; L85-V121 WeakPolarHBondContact O-CA 3.42Å; F87-V121 HydrophobicContact CD1-CG1 4.23Å; F87-V121 HydrophobicContact CE1-CG1 4.01Å; L98-V121 HydrophobicContact CD1-CG1 3.91Å; V121-W141 HydrophobicContact CG2-CE3 4.29Å; V121-W141 HydrophobicContact CG2-CZ3 3.74Å; V121-C142 VanDerWaalsContact CG2-SG 3.57Å; V121-C148 HydrophobicContact CG2-CB 3.96Å; V121-P149 PolarHBondContact N-O 3.36Å; V121-Y150 HydrophobicContact CB-CD2 4.01Å; V121-Y150 HydrophobicContact CG1-CD2 3.83Å; V121-Y150 HydrophobicContact CG1-CE2 4.22Å; V121-Y150 WeakPolarHBondContact O-CA 3.26Å; V121-Y150 WeakPolarHBondContact O-CD2 3.38Å; V121-F151 PolarHBondContact O-N 2.99Å
122	L	98.9	Very high	93.6	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	115.4	-179.1	-50.4	-175	0	0	0	110	L23 L84 L85 T86 F87 V120 F151 T153 A164	L23-L122 HydrophobicContact CD1-CD1 3.93Å; L84-L122 HydrophobicContact CB-CD1 4.13Å; L84-L122 HydrophobicContact CD1-CD1 4.21Å; L85-L122 PolarHBondContact O-N 3.15Å; T86-L122 WeakPolarHBondContact CA-O 3.34Å; T86-L122 HydrophobicContact CG2-CB 4.21Å; F87-L122 VanDerWaalsContact CD1-O 3.26Å; F87-L122 WeakPolarHBondContact CD1-O 3.45Å; F87-L122 PolarHBondContact N-O 3.19Å; V120-L122 HydrophobicContact CG1-CD2 3.92Å; L122-F151 WeakPolarHBondContact CA-O 3.37Å; L122-F151 HydrophobicContact CD2-CB 4.1Å; L122-T153 HydrophobicContact CD2-CG2 4.4Å; L122-A164 HydrophobicContact CD2-CB 3.61Å
123	G	98.8	Very high	94.4	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	94.2	165.9	0	0	0	0	0	108.8	F87 V126 F151 E152 T153	F87-G123 VanDerWaalsContact CE1-CA 3.45Å; G123-V126 WeakPolarHBondContact O-CG1 3.4Å; G123-F151 PolarHBondContact N-O 3.43Å; G123-E152 CarbonylContact O-C 3.56Å; G123-E152 WeakPolarHBondContact O-CA 3.26Å; G123-T153 PolarHBondContact O-N 3.44Å
124	N	98.8	Very high	95	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.021	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	167	-174.9	-169.3	31.2	0	0	0	112.3	V18 L23 T86 F87 A88 V89 T153 S154 A155	V18-N124 PolarHBondContact O-ND2 2.83Å; L23-N124 HydrophobicContact CD1-CB 4.17Å; T86-N124 HydrophobicContact CG2-CB 4.27Å; F87-N124 WeakPolarHBondContact O-CB 3.47Å; F87-N124 PolarHBondContact O-N 2.9Å; A88-N124 CarbonylContact C-O 3.54Å; A88-N124 WeakPolarHBondContact CA-O 3.46Å; V89-N124 PolarHBondContact N-O 3.26Å; N124-T153 CarbonylContact C-O 3.56Å; N124-T153 VanDerWaalsContact C-O 3.28Å; N124-T153 VanDerWaalsContact CA-O 3.23Å; N124-T153 WeakPolarHBondContact CA-O 3.24Å; N124-T153 WeakPolarHBondContact CA-OG1 3.49Å; N124-T153 PolarHBondContact OD1-O 3.37Å; N124-S154 WeakPolarHBondContact OD1-CA 3.39Å; N124-A155 PolarHBondContact OD1-N 2.88Å
125	K	98.3	Very high	95.8	Very high	57 Å²	57	59.3 Å²	59.3	25%	0.248	28%	0.284	C	S	.	.			trans	67.6	36.6	177.7	-46.8	-170.6	-169.8	172.3	0	114.1	G17 A88 V89 N90 D127 M128 T153	G17-K125 VanDerWaalsContact O-CE 3.24Å; G17-K125 WeakPolarHBondContact O-CE 3.4Å; G17-K125 PolarHBondContact O-NZ 2.88Å; A88-K125 HydrophobicContact CB-CD 3.98Å; A88-K125 HydrophobicContact CB-CG 4.21Å; V89-K125 WeakPolarHBondContact CG2-O 3.48Å; N90-K125 WeakPolarHBondContact OD1-CD 3.38Å; K125-D127 WeakPolarHBondContact CA-OD1 3.34Å; K125-D127 PolarHBondContact O-N 2.8Å; K125-D127 VanDerWaalsContact O-N 3.15Å; K125-M128 HydrophobicContact CB-CG 4.04Å; K125-M128 HydrophobicContact CB-SD 3.9Å; K125-M128 HydrophobicContact CD-SD 3.72Å; K125-M128 HydrophobicContact CG-SD 4.46Å; K125-M128 WeakPolarHBondContact O-CB 3.48Å; K125-M128 PolarHBondContact O-N 3.05Å; K125-T153 PolarHBondContact N-O 3.45Å
126	V	98.4	Very high	96.5	Very high	38 Å²	38	56.8 Å²	56.8	23%	0.23	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-11.6	176.2	-57.7	0	0	0	0	113.6	V89 G123 M128 E152 T153 T159	V89-V126 HydrophobicContact CG1-CG1 3.85Å; V89-V126 HydrophobicContact CG2-CG1 4.19Å; G123-V126 WeakPolarHBondContact O-CG1 3.4Å; V126-M128 PolarHBondContact O-N 2.85Å; V126-E152 HydrophobicContact CG1-CB 3.65Å; V126-E152 HydrophobicContact CG1-CG 4.29Å; V126-T153 WeakPolarHBondContact CG2-O 3.24Å; V126-T153 PolarHBondContact N-O 3.06Å; V126-T159 HydrophobicContact CG2-CG2 4.04Å
127	D	97.6	Very high	97	Very high	46 Å²	46	57.8 Å²	57.8	25%	0.246	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-9.8	169	67.1	-82.6	0	0	0	113.9	K125 S154 K156	K125-D127 WeakPolarHBondContact CA-OD1 3.34Å; K125-D127 PolarHBondContact O-N 2.8Å; K125-D127 VanDerWaalsContact O-N 3.15Å; D127-S154 WeakPolarHBondContact OD1-CB 3.41Å; D127-S154 PolarHBondContact OD1-OG 3.4Å; D127-K156 HydrophobicContact CB-CD 4.43Å; D127-K156 WeakPolarHBondContact OD2-CD 3.18Å; D127-K156 IonicContact OD2-NZ 3.05Å; D127-K156 PolarHBondContact OD2-NZ 2.85Å; D127-K156 VanDerWaalsContact OD2-NZ 3.13Å
128	M	94.9	Very high	97.2	Very high	78 Å²	78	56.7 Å²	56.7	38%	0.384	27%	0.27	S	S	.	.			trans	-87.2	131.1	178.8	-64.5	-171.4	71.1	0	0	111.6	N90 K125 V126 R130	N90-M128 HydrophobicContact CB-CB 4.41Å; N90-M128 HydrophobicContact CB-CE 4.43Å; N90-M128 HydrophobicContact CB-SD 4.18Å; K125-M128 HydrophobicContact CB-CG 4.04Å; K125-M128 HydrophobicContact CB-SD 3.9Å; K125-M128 HydrophobicContact CD-SD 3.72Å; K125-M128 HydrophobicContact CG-SD 4.46Å; K125-M128 WeakPolarHBondContact O-CB 3.48Å; K125-M128 PolarHBondContact O-N 3.05Å; V126-M128 PolarHBondContact O-N 2.85Å; M128-R130 VanDerWaalsContact C-N 3.35Å; M128-R130 PolarHBondContact O-N 3.31Å
129	E	90.1	Very high	97.3	Very high	198 Å²	198	60.9 Å²	60.9	93%	0.925	28%	0.284	S	S	*	.	S	Bend	trans	-66.7	-32.8	-178.5	-62.6	-179.5	170.9	0	0	113.7	R131	E129-R131 PolarHBondContact O-N 2.83Å
130	R	93.4	Very high	97.3	Very high	214 Å²	214	62.3 Å²	62.3	81%	0.808	30%	0.298	S	S	*	.			trans	-90.8	83.3	-175.8	-68.4	-174.1	-176.8	174.5	1.1	111	N90 M128	N90-R130 WeakPolarHBondContact CA-O 3.41Å; N90-R130 WeakPolarHBondContact CB-O 2.91Å; M128-R130 VanDerWaalsContact C-N 3.35Å; M128-R130 PolarHBondContact O-N 3.31Å
131	R	96.5	Very high	97.3	Very high	90 Å²	90	63.6 Å²	63.6	34%	0.34	30%	0.302	S	S	.	.			trans	-79.4	137.2	174.4	-172.6	169.5	-177.4	111.3	17.1	111.5	V89 E129 V133 G134 E135 E152	V89-R131 HydrophobicContact CB-CG 4.28Å; E129-R131 PolarHBondContact O-N 2.83Å; R131-V133 WeakPolarHBondContact CG-O 3.5Å; R131-V133 PolarHBondContact NE-O 2.94Å; R131-V133 PolarHBondContact NH2-O 3.43Å; R131-G134 VanDerWaalsContact NH2-C 3.32Å; R131-E135 VanDerWaalsContact NH2-N 3.18Å; R131-E152 IonicContact CZ-OE1 2.64Å; R131-E152 IonicContact NH1-OE1 3.47Å; R131-E152 PolarHBondContact NH1-OE1 3.4Å; R131-E152 IonicContact NH1-OE2 2.69Å; R131-E152 PolarHBondContact NH1-OE2 3Å; R131-E152 IonicContact NH2-OE1 3.3Å; R131-E152 PolarHBondContact NH2-OE1 3.43Å
132	E	98.1	Very high	97.2	Very high	114 Å²	114	63.8 Å²	63.8	53%	0.533	30%	0.304	S	S	.	.			trans	-113.1	-21.7	176.3	-62.8	-171.4	178.7	0	0	113.1	V89 L92	V89-E132 PolarHBondContact O-N 2.78Å; L92-E132 HydrophobicContact CB-CB 4.14Å; L92-E132 PolarHBondContact N-OE2 2.6Å
133	V	98.1	Very high	97.1	Very high	1 Å²	1	70.5 Å²	70.5	1%	0.006	34%	0.335	C	S	.	.	S	Bend	trans	-119.4	121.5	-176.7	-179.8	0	0	0	0	109.4	F87 V89 L92 F95 R131 A138	F87-V133 HydrophobicContact CD2-CG2 4.46Å; F87-V133 HydrophobicContact CE2-CB 3.96Å; F87-V133 HydrophobicContact CE2-CG1 3.77Å; F87-V133 HydrophobicContact CE2-CG2 4.18Å; F87-V133 HydrophobicContact CZ-CG1 4.18Å; V89-V133 PolarHBondContact O-N 2.78Å; V89-V133 VanDerWaalsContact O-N 3.17Å; L92-V133 HydrophobicContact CB-CG2 4.37Å; L92-V133 HydrophobicContact CD1-CG2 3.96Å; F95-V133 HydrophobicContact CB-CG1 4.16Å; F95-V133 HydrophobicContact CB-CG2 3.64Å; F95-V133 HydrophobicContact CD1-CG1 3.74Å; F95-V133 HydrophobicContact CD1-CG2 4.23Å; F95-V133 HydrophobicContact CD2-CG1 3.92Å; F95-V133 HydrophobicContact CE1-CG1 4.05Å; F95-V133 HydrophobicContact CE2-CG1 4.23Å; F95-V133 HydrophobicContact CG-CG1 3.66Å; F95-V133 HydrophobicContact CG-CG2 4.04Å; F95-V133 HydrophobicContact CZ-CG1 4.28Å; R131-V133 WeakPolarHBondContact CG-O 3.5Å; R131-V133 PolarHBondContact NE-O 2.94Å; R131-V133 PolarHBondContact NH2-O 3.43Å; V133-A138 HydrophobicContact CG1-CB 4.46Å
134	G	97.6	Very high	96.9	Very high	31 Å²	31	78 Å²	78	32%	0.32	37%	0.37	S	S	.	.			trans	-67.9	155	-179.7	0	0	0	0	0	113.7	R131 E137 A138	R131-G134 VanDerWaalsContact NH2-C 3.32Å; G134-E137 PolarHBondContact N-OE2 2.95Å; G134-E137 PolarHBondContact O-N 3.29Å; G134-A138 PolarHBondContact O-N 2.85Å; G134-A138 VanDerWaalsContact O-N 3.15Å
135	E	97.1	Very high	96.7	Very high	76 Å²	76	79.9 Å²	79.9	36%	0.355	38%	0.38	S	S	.	.	H	α-helix	trans	-64.3	-45.8	174	-170.7	-174.8	158	0	0	110.4	R131 E137 A138 R139 Y150 E152	R131-E135 VanDerWaalsContact NH2-N 3.18Å; E135-E137 VanDerWaalsContact C-N 3.29Å; E135-E137 PolarHBondContact O-N 2.7Å; E135-A138 PolarHBondContact O-N 3.49Å; E135-R139 WeakPolarHBondContact O-CG 3.5Å; E135-R139 PolarHBondContact O-N 3.39Å; E135-R139 IonicContact OE1-CZ 2.86Å; E135-R139 IonicContact OE1-NE 3.13Å; E135-R139 PolarHBondContact OE1-NE 3.32Å; E135-R139 IonicContact OE1-NH2 3.03Å; E135-R139 PolarHBondContact OE1-NH2 3.27Å; E135-Y150 HydrophobicContact CG-CE1 4Å; E135-E152 HydrophobicContact CG-CG 4.37Å
136	D	97.7	Very high	96.2	Very high	135 Å²	135	79.9 Å²	79.9	72%	0.722	40%	0.396	S	S	*	.	H	α-helix	trans	-60.7	-37.8	178.4	-64.1	-29.4	0	0	0	112.3	R139 A140	D136-R139 PolarHBondContact O-N 3.24Å; D136-A140 WeakPolarHBondContact O-CB 3.11Å; D136-A140 PolarHBondContact O-N 3.49Å
137	E	97.7	Very high	95.8	Very high	84 Å²	84	83 Å²	83	39%	0.393	42%	0.419	S	S	.	.	H	α-helix	trans	-64.9	-45.3	176.4	-176.3	-176.5	-176.3	0	0	111.3	F95 G134 E135 A140 W141	F95-E137 HydrophobicContact CE1-CG 3.81Å; F95-E137 HydrophobicContact CZ-CG 4.08Å; G134-E137 PolarHBondContact N-OE2 2.95Å; G134-E137 PolarHBondContact O-N 3.29Å; E135-E137 VanDerWaalsContact C-N 3.29Å; E135-E137 PolarHBondContact O-N 2.7Å; E137-A140 PolarHBondContact O-N 3.25Å; E137-W141 PolarHBondContact O-N 2.68Å
138	A	98	Very high	95.5	Very high	0 Å²	0	81.5 Å²	81.5	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-65.8	-39	176.8	0	0	0	0	0	112	F87 F95 V133 G134 E135 W141 C142 Y150	F87-A138 HydrophobicContact CE1-CB 4.32Å; F87-A138 HydrophobicContact CZ-CB 3.84Å; F95-A138 HydrophobicContact CE2-CB 4.02Å; V133-A138 HydrophobicContact CG1-CB 4.46Å; G134-A138 PolarHBondContact O-N 2.85Å; G134-A138 VanDerWaalsContact O-N 3.15Å; E135-A138 PolarHBondContact O-N 3.49Å; A138-W141 PolarHBondContact O-N 3.2Å; A138-C142 PolarHBondContact O-N 3.14Å; A138-C142 VanDerWaalsContact O-N 3.1Å; A138-C142 PolarHBondContact O-SG 2.69Å; A138-Y150 HydrophobicContact CB-CD1 4.44Å; A138-Y150 HydrophobicContact CB-CD2 4.48Å; A138-Y150 HydrophobicContact CB-CE1 3.77Å; A138-Y150 HydrophobicContact CB-CE2 3.86Å; A138-Y150 VanDerWaalsContact CB-CZ 3.44Å; A138-Y150 WeakPolarHBondContact CB-OH 3.41Å
139	R	98.2	Very high	95.6	Very high	103 Å²	103	79.9 Å²	79.9	39%	0.389	41%	0.407	S	S	.	.	H	α-helix	trans	-63.7	-46.5	174.6	-73.6	-176.5	-176.4	-68.6	-3.2	111.9	E135 D136 W141 C142 E143 Y150	E135-R139 WeakPolarHBondContact O-CG 3.5Å; E135-R139 PolarHBondContact O-N 3.39Å; E135-R139 IonicContact OE1-CZ 2.86Å; E135-R139 IonicContact OE1-NE 3.13Å; E135-R139 PolarHBondContact OE1-NE 3.32Å; E135-R139 IonicContact OE1-NH2 3.03Å; E135-R139 PolarHBondContact OE1-NH2 3.27Å; D136-R139 PolarHBondContact O-N 3.24Å; R139-W141 VanDerWaalsContact C-N 3.3Å; R139-W141 PolarHBondContact O-N 3.42Å; R139-C142 WeakPolarHBondContact O-CB 3.3Å; R139-C142 PolarHBondContact O-N 3.15Å; R139-E143 PolarHBondContact O-N 3Å; R139-Y150 HydrophobicContact CG-CD1 3.65Å; R139-Y150 HydrophobicContact CG-CE1 4.23Å
140	A	98.3	Very high	96	Very high	40 Å²	40	71.2 Å²	71.2	33%	0.331	37%	0.366	S	S	.	.	H	α-helix	trans	-58.1	-43.9	176.6	0	0	0	0	0	111.4	D136 E137 C142 E143 E144	D136-A140 WeakPolarHBondContact O-CB 3.11Å; D136-A140 PolarHBondContact O-N 3.49Å; E137-A140 PolarHBondContact O-N 3.25Å; A140-C142 VanDerWaalsContact C-N 3.3Å; A140-C142 PolarHBondContact O-N 3.32Å; A140-E143 PolarHBondContact O-N 2.6Å; A140-E144 WeakPolarHBondContact O-CG 3.16Å; A140-E144 PolarHBondContact O-N 3.2Å
141	W	98.1	Very high	96.3	Very high	27 Å²	27	63 Å²	63	10%	0.102	34%	0.336	C	S	.	.	H	α-helix	trans	-58.9	-42.1	174.5	-173.9	95.3	0	0	0	112	L85 F95 L98 S99 K102 V121 E137 A138 R139 E144 N145	L85-W141 HydrophobicContact CD1-CH2 4.11Å; F95-W141 HydrophobicContact CE2-CB 4.04Å; F95-W141 HydrophobicContact CE2-CG 4.2Å; F95-W141 HydrophobicContact CZ-CB 3.71Å; F95-W141 HydrophobicContact CZ-CG 4.06Å; L98-W141 HydrophobicContact CB-CH2 3.87Å; L98-W141 HydrophobicContact CB-CZ2 3.63Å; L98-W141 HydrophobicContact CD1-CD2 4.45Å; L98-W141 HydrophobicContact CD1-CE3 4.26Å; L98-W141 HydrophobicContact CD1-CH2 4.44Å; L98-W141 HydrophobicContact CD1-CZ3 4.27Å; S99-W141 PolarHBondContact OG-NE1 3.3Å; K102-W141 HydrophobicContact CD-CH2 4.46Å; V121-W141 HydrophobicContact CG2-CE3 4.29Å; V121-W141 HydrophobicContact CG2-CZ3 3.74Å; E137-W141 PolarHBondContact O-N 2.68Å; A138-W141 PolarHBondContact O-N 3.2Å; R139-W141 VanDerWaalsContact C-N 3.3Å; R139-W141 PolarHBondContact O-N 3.42Å; W141-E144 PolarHBondContact O-N 3.3Å; W141-N145 HydrophobicContact CD2-CB 4.24Å; W141-N145 HydrophobicContact CE3-CB 4.13Å; W141-N145 HydrophobicContact CH2-CB 3.91Å; W141-N145 HydrophobicContact CZ2-CB 4.03Å; W141-N145 HydrophobicContact CZ3-CB 3.95Å; W141-N145 PolarHBondContact NE1-ND2 3.03Å; W141-N145 VanDerWaalsContact O-CB 3.26Å; W141-N145 WeakPolarHBondContact O-CB 3.5Å; W141-N145 PolarHBondContact O-N 3.24Å; W141-N145 PolarHBondContact O-ND2 2.9Å
142	C	97.4	Very high	96.4	Very high	4 Å²	4	60.2 Å²	60.2	3%	0.027	33%	0.327	C	S	.	.	H	α-helix	trans	-64.9	-39.1	179	-65.4	0	0	0	0	112.7	V121 A138 R139 A140 N145 C147 C148	V121-C142 VanDerWaalsContact CG2-SG 3.57Å; A138-C142 PolarHBondContact O-N 3.14Å; A138-C142 VanDerWaalsContact O-N 3.1Å; A138-C142 PolarHBondContact O-SG 2.69Å; R139-C142 WeakPolarHBondContact O-CB 3.3Å; R139-C142 PolarHBondContact O-N 3.15Å; A140-C142 VanDerWaalsContact C-N 3.3Å; A140-C142 PolarHBondContact O-N 3.32Å; C142-N145 PolarHBondContact O-N 2.64Å; C142-C147 VanDerWaalsContact O-CA 3.23Å; C142-C147 WeakPolarHBondContact O-CA 3.4Å; C142-C147 PolarHBondContact O-N 3.2Å; C142-C148 HydrophobicContact CB-CB 4.49Å; C142-C148 WeakPolarHBondContact CB-O 3.48Å; C142-C148 PolarHBondContact O-N 3.13Å
143	E	95.9	Very high	96.4	Very high	140 Å²	140	54.8 Å²	54.8	65%	0.654	30%	0.302	S	S	*	.	H	α-helix	trans	-62.7	-47.7	175.7	-70.5	177.5	179.3	0	0	111.3	R139 A140 N145	R139-E143 PolarHBondContact O-N 3Å; A140-E143 PolarHBondContact O-N 2.6Å; E143-N145 VanDerWaalsContact C-N 3.28Å; E143-N145 PolarHBondContact O-N 2.84Å
144	E	95.3	Very high	96.4	Very high	159 Å²	159	54.8 Å²	54.8	74%	0.743	30%	0.302	S	S	*	.	H	α-helix	trans	-68.5	-25.7	179.8	-68.8	177.5	-179.4	0	0	113.4	A140 W141	A140-E144 WeakPolarHBondContact O-CG 3.16Å; A140-E144 PolarHBondContact O-N 3.2Å; W141-E144 PolarHBondContact O-N 3.3Å
145	N	93.2	Very high	96.5	Very high	43 Å²	43	53.4 Å²	53.4	23%	0.23	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	41.1	-173.8	-68.6	-90.5	0	0	0	112.6	K102 W141 C142 E143 C148	K102-N145 PolarHBondContact NZ-O 2.89Å; W141-N145 HydrophobicContact CD2-CB 4.24Å; W141-N145 HydrophobicContact CE3-CB 4.13Å; W141-N145 HydrophobicContact CH2-CB 3.91Å; W141-N145 HydrophobicContact CZ2-CB 4.03Å; W141-N145 HydrophobicContact CZ3-CB 3.95Å; W141-N145 PolarHBondContact NE1-ND2 3.03Å; W141-N145 VanDerWaalsContact O-CB 3.26Å; W141-N145 WeakPolarHBondContact O-CB 3.5Å; W141-N145 PolarHBondContact O-N 3.24Å; W141-N145 PolarHBondContact O-ND2 2.9Å; C142-N145 PolarHBondContact O-N 2.64Å; E143-N145 VanDerWaalsContact C-N 3.28Å; E143-N145 PolarHBondContact O-N 2.84Å; N145-C148 PolarHBondContact O-SG 3.1Å
146	G	87.9	Confident	96.5	Very high	57 Å²	57	55.1 Å²	55.1	59%	0.588	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.6	24.1	170.8	0	0	0	0	0	114.6	C148	G146-C148 VanDerWaalsContact C-N 3.27Å; G146-C148 PolarHBondContact O-N 3.04Å
147	C	90.4	Very high	96.5	Very high	103 Å²	103	52.9 Å²	52.9	70%	0.696	28%	0.281	S	S	*	.			trans	53.8	42	175.9	-62.8	0	0	0	0	113.1	C142	C142-C147 VanDerWaalsContact O-CA 3.23Å; C142-C147 WeakPolarHBondContact O-CA 3.4Å; C142-C147 PolarHBondContact O-N 3.2Å
148	C	91.8	Very high	96.5	Very high	14 Å²	14	51.8 Å²	51.8	10%	0.095	28%	0.278	C	S	.	.			trans	-68.4	137.9	-177.9	-52.5	0	0	0	0	110.7	F119 V121 C142 N145 G146 Y150	F119-C148 HydrophobicContact CB-CB 4.33Å; V121-C148 HydrophobicContact CG2-CB 3.96Å; C142-C148 HydrophobicContact CB-CB 4.49Å; C142-C148 WeakPolarHBondContact CB-O 3.48Å; C142-C148 PolarHBondContact O-N 3.13Å; N145-C148 PolarHBondContact O-SG 3.1Å; G146-C148 VanDerWaalsContact C-N 3.27Å; G146-C148 PolarHBondContact O-N 3.04Å; C148-Y150 PolarHBondContact O-N 2.81Å
149	P	97.1	Very high	96.6	Very high	44 Å²	44	54.3 Å²	54.3	29%	0.286	29%	0.293	S	S	.	.			trans	-57.4	136.4	168.7	-25.8	36.2	0	0	0	111.2	F119 V120 V121 F151 V171	F119-P149 WeakPolarHBondContact O-CD 3.4Å; V120-P149 HydrophobicContact CG1-CB 4.44Å; V120-P149 HydrophobicContact CG2-CB 4.44Å; V120-P149 HydrophobicContact CG2-CG 4.46Å; V121-P149 PolarHBondContact N-O 3.36Å; P149-F151 HydrophobicContact CB-CE2 3.88Å; P149-V171 HydrophobicContact CG-CG2 3.82Å
150	Y	98.6	Very high	96.6	Very high	16 Å²	16	53.1 Å²	53.1	6%	0.063	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	132.8	179.9	176.5	-122.7	0	0	0	111.4	F87 V121 E135 A138 R139 C148 E152	F87-Y150 AromaticContact CE1-CE2 3.76Å; F87-Y150 HydrophobicContact CE1-CE2 3.76Å; F87-Y150 HydrophobicContact CZ-CE2 4.02Å; V121-Y150 HydrophobicContact CB-CD2 4.01Å; V121-Y150 HydrophobicContact CG1-CD2 3.83Å; V121-Y150 HydrophobicContact CG1-CE2 4.22Å; V121-Y150 WeakPolarHBondContact O-CA 3.26Å; V121-Y150 WeakPolarHBondContact O-CD2 3.38Å; E135-Y150 HydrophobicContact CG-CE1 4Å; A138-Y150 HydrophobicContact CB-CD1 4.44Å; A138-Y150 HydrophobicContact CB-CD2 4.48Å; A138-Y150 HydrophobicContact CB-CE1 3.77Å; A138-Y150 HydrophobicContact CB-CE2 3.86Å; A138-Y150 VanDerWaalsContact CB-CZ 3.44Å; A138-Y150 WeakPolarHBondContact CB-OH 3.41Å; R139-Y150 HydrophobicContact CG-CD1 3.65Å; R139-Y150 HydrophobicContact CG-CE1 4.23Å; C148-Y150 PolarHBondContact O-N 2.81Å; Y150-E152 HydrophobicContact CE1-CG 3.87Å; Y150-E152 PolarHBondContact OH-OE1 3.39Å
151	F	98.8	Very high	96.6	Very high	41 Å²	41	51.2 Å²	51.2	18%	0.18	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	128.6	176.3	-65.9	-92.1	0	0	0	111.4	V120 V121 L122 G123 P149 T153 A163 A164 A167	V120-F151 HydrophobicContact CG1-CD2 3.82Å; V120-F151 HydrophobicContact CG1-CE2 4.1Å; V121-F151 PolarHBondContact O-N 2.99Å; L122-F151 WeakPolarHBondContact CA-O 3.37Å; L122-F151 HydrophobicContact CD2-CB 4.1Å; G123-F151 PolarHBondContact N-O 3.43Å; P149-F151 HydrophobicContact CB-CE2 3.88Å; F151-T153 HydrophobicContact CB-CG2 3.97Å; F151-A163 HydrophobicContact CD1-CB 4.48Å; F151-A163 HydrophobicContact CE1-CB 4.22Å; F151-A164 HydrophobicContact CB-CB 3.97Å; F151-A164 HydrophobicContact CD1-CB 4.38Å; F151-A164 HydrophobicContact CD2-CB 4.13Å; F151-A164 HydrophobicContact CG-CB 3.9Å; F151-A167 HydrophobicContact CE1-CB 4.46Å; F151-A167 HydrophobicContact CE2-CB 3.42Å; F151-A167 VanDerWaalsContact CE2-CB 3.42Å; F151-A167 HydrophobicContact CZ-CB 3.37Å
152	E	98.6	Very high	96.6	Very high	33 Å²	33	52.2 Å²	52.2	15%	0.154	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	118.7	164	-66.7	-135.4	147.5	0	0	108.9	G123 V126 R131 E135 Y150 N160	G123-E152 CarbonylContact O-C 3.56Å; G123-E152 WeakPolarHBondContact O-CA 3.26Å; V126-E152 HydrophobicContact CG1-CB 3.65Å; V126-E152 HydrophobicContact CG1-CG 4.29Å; R131-E152 IonicContact CZ-OE1 2.64Å; R131-E152 IonicContact NH1-OE1 3.47Å; R131-E152 PolarHBondContact NH1-OE1 3.4Å; R131-E152 IonicContact NH1-OE2 2.69Å; R131-E152 PolarHBondContact NH1-OE2 3Å; R131-E152 IonicContact NH2-OE1 3.3Å; R131-E152 PolarHBondContact NH2-OE1 3.43Å; E135-E152 HydrophobicContact CG-CG 4.37Å; Y150-E152 HydrophobicContact CE1-CG 3.87Å; Y150-E152 PolarHBondContact OH-OE1 3.39Å; E152-N160 VanDerWaalsContact O-CB 3.22Å; E152-N160 WeakPolarHBondContact O-CB 3.28Å; E152-N160 PolarHBondContact O-ND2 3.4Å
153	T	98.9	Very high	96.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	154.5	-171.6	56.8	0	0	0	0	112.2	L122 G123 N124 K125 V126 F151 T159 N160 A164	L122-T153 HydrophobicContact CD2-CG2 4.4Å; G123-T153 PolarHBondContact O-N 3.44Å; N124-T153 CarbonylContact C-O 3.56Å; N124-T153 VanDerWaalsContact C-O 3.28Å; N124-T153 VanDerWaalsContact CA-O 3.23Å; N124-T153 WeakPolarHBondContact CA-O 3.24Å; N124-T153 WeakPolarHBondContact CA-OG1 3.49Å; N124-T153 PolarHBondContact OD1-O 3.37Å; K125-T153 PolarHBondContact N-O 3.45Å; V126-T153 WeakPolarHBondContact CG2-O 3.24Å; V126-T153 PolarHBondContact N-O 3.06Å; F151-T153 HydrophobicContact CB-CG2 3.97Å; T153-T159 CarbonylContact C-O 3.54Å; T153-T159 WeakPolarHBondContact CA-O 3.46Å; T153-N160 HydrophobicContact CG2-CB 4.18Å; T153-A164 HydrophobicContact CG2-CB 4.08Å
154	S	98.6	Very high	96.8	Very high	1 Å²	1	47 Å²	47	1%	0.007	27%	0.269	C	S	.	.			trans	-136.2	116.1	161.4	173.6	0	0	0	0	110.3	N124 D127 K156 D157 D158 T159 V161	N124-S154 WeakPolarHBondContact OD1-CA 3.39Å; D127-S154 WeakPolarHBondContact OD1-CB 3.41Å; D127-S154 PolarHBondContact OD1-OG 3.4Å; S154-K156 PolarHBondContact O-N 3.25Å; S154-K156 WeakPolarHBondContact OG-CB 3.23Å; S154-K156 PolarHBondContact OG-N 3Å; S154-K156 VanDerWaalsContact OG-N 3.09Å; S154-D157 WeakPolarHBondContact CB-OD1 3.29Å; S154-D157 PolarHBondContact OG-N 2.65Å; S154-D157 PolarHBondContact OG-OD1 3.21Å; S154-D158 CarbonylContact O-C 3.58Å; S154-D158 VanDerWaalsContact O-CA 3.27Å; S154-D158 WeakPolarHBondContact O-CA 3.47Å; S154-D158 PolarHBondContact O-N 2.85Å; S154-T159 PolarHBondContact N-O 2.85Å; S154-T159 PolarHBondContact O-N 3.44Å; S154-V161 WeakPolarHBondContact O-CG2 3.14Å
155	A	98.4	Very high	96.9	Very high	2 Å²	2	39.4 Å²	39.4	2%	0.017	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-22.4	169.4	0	0	0	0	0	112.9	L23 R26 F32 N124	L23-A155 HydrophobicContact CD2-CB 4.02Å; L23-A155 HydrophobicContact CG-CB 4.15Å; R26-A155 HydrophobicContact CB-CB 4.32Å; R26-A155 PolarHBondContact NE-O 3.42Å; F32-A155 HydrophobicContact CD2-CB 4.18Å; F32-A155 WeakPolarHBondContact CD2-O 3.46Å; F32-A155 HydrophobicContact CE2-CB 4.38Å; N124-A155 PolarHBondContact OD1-N 2.88Å
156	K	97.9	Very high	97.1	Very high	112 Å²	112	40.7 Å²	40.7	49%	0.487	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-50.1	-174.9	-175.6	-169.2	180	-175.4	0	111.3	R26 F32 D127 S154	R26-K156 PolarHBondContact NH2-O 3.27Å; F32-K156 HydrophobicContact CD1-CB 4.44Å; F32-K156 HydrophobicContact CD1-CG 4.13Å; F32-K156 HydrophobicContact CD2-CB 4.26Å; F32-K156 HydrophobicContact CE1-CB 4.22Å; F32-K156 HydrophobicContact CE1-CG 3.86Å; F32-K156 HydrophobicContact CE2-CB 4.03Å; F32-K156 HydrophobicContact CG-CB 4.46Å; F32-K156 HydrophobicContact CZ-CB 4Å; F32-K156 HydrophobicContact CZ-CG 4.1Å; D127-K156 HydrophobicContact CB-CD 4.43Å; D127-K156 WeakPolarHBondContact OD2-CD 3.18Å; D127-K156 IonicContact OD2-NZ 3.05Å; D127-K156 PolarHBondContact OD2-NZ 2.85Å; D127-K156 VanDerWaalsContact OD2-NZ 3.13Å; S154-K156 PolarHBondContact O-N 3.25Å; S154-K156 WeakPolarHBondContact OG-CB 3.23Å; S154-K156 PolarHBondContact OG-N 3Å; S154-K156 VanDerWaalsContact OG-N 3.09Å
157	D	97.6	Very high	97.5	Very high	88 Å²	88	38.1 Å²	38.1	47%	0.471	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	6.1	-177	66.8	22.2	0	0	0	114.4	S154 T159	S154-D157 WeakPolarHBondContact CB-OD1 3.29Å; S154-D157 PolarHBondContact OG-N 2.65Å; S154-D157 PolarHBondContact OG-OD1 3.21Å; D157-T159 VanDerWaalsContact C-N 3.27Å; D157-T159 PolarHBondContact O-N 3.07Å; D157-T159 WeakPolarHBondContact OD1-CB 3.16Å; D157-T159 PolarHBondContact OD1-N 3.36Å; D157-T159 PolarHBondContact OD1-OG1 2.72Å
158	D	98.3	Very high	97.9	Very high	60 Å²	60	33.2 Å²	33.2	32%	0.321	18%	0.179	S	C	.	.			trans	70.3	12.6	179.7	-160.4	44.9	0	0	0	115.2	R26 S154 N160 V161	R26-D158 VanDerWaalsContact CD-OD1 3.28Å; R26-D158 WeakPolarHBondContact CD-OD1 3.28Å; R26-D158 HydrophobicContact CG-CB 4.44Å; R26-D158 VanDerWaalsContact CG-OD1 3.26Å; R26-D158 WeakPolarHBondContact CG-OD1 3.31Å; S154-D158 CarbonylContact O-C 3.58Å; S154-D158 VanDerWaalsContact O-CA 3.27Å; S154-D158 WeakPolarHBondContact O-CA 3.47Å; S154-D158 PolarHBondContact O-N 2.85Å; D158-N160 PolarHBondContact O-N 2.77Å; D158-V161 PolarHBondContact O-N 2.74Å; D158-V161 WeakPolarHBondContact OD1-CB 3.25Å
159	T	98.8	Very high	98.1	Very high	53 Å²	53	32.6 Å²	32.6	33%	0.325	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	118.8	175.6	-62.8	0	0	0	0	111	V126 T153 S154 D157 V161	V126-T159 HydrophobicContact CG2-CG2 4.04Å; T153-T159 CarbonylContact C-O 3.54Å; T153-T159 WeakPolarHBondContact CA-O 3.46Å; S154-T159 PolarHBondContact N-O 2.85Å; S154-T159 PolarHBondContact O-N 3.44Å; D157-T159 VanDerWaalsContact C-N 3.27Å; D157-T159 PolarHBondContact O-N 3.07Å; D157-T159 WeakPolarHBondContact OD1-CB 3.16Å; D157-T159 PolarHBondContact OD1-N 3.36Å; D157-T159 PolarHBondContact OD1-OG1 2.72Å; T159-V161 PolarHBondContact O-N 3.43Å
160	N	98.6	Very high	98	Very high	79 Å²	79	35.2 Å²	35.2	42%	0.422	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	10.5	175.6	-64.8	-37.1	0	0	0	117.3	E152 T153 D158 T162 A163 A164	E152-N160 VanDerWaalsContact O-CB 3.22Å; E152-N160 WeakPolarHBondContact O-CB 3.28Å; E152-N160 PolarHBondContact O-ND2 3.4Å; T153-N160 HydrophobicContact CG2-CB 4.18Å; D158-N160 PolarHBondContact O-N 2.77Å; N160-T162 PolarHBondContact O-N 2.9Å; N160-A163 PolarHBondContact O-N 3.02Å; N160-A164 WeakPolarHBondContact O-CB 3.46Å; N160-A164 PolarHBondContact O-N 3.45Å
161	V	98.6	Very high	97.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.9	-50.5	-177.1	179.6	0	0	0	0	110.4	L23 R26 Y27 S154 D158 T159 A163 A164 F165	L23-V161 HydrophobicContact CD2-CG1 4.33Å; L23-V161 HydrophobicContact CD2-CG2 3.89Å; R26-V161 HydrophobicContact CB-CG1 4.46Å; R26-V161 HydrophobicContact CG-CB 4.25Å; R26-V161 HydrophobicContact CG-CG1 4.02Å; R26-V161 HydrophobicContact CG-CG2 3.99Å; Y27-V161 HydrophobicContact CD2-CG1 4.25Å; Y27-V161 HydrophobicContact CG-CG1 4.5Å; S154-V161 WeakPolarHBondContact O-CG2 3.14Å; D158-V161 PolarHBondContact O-N 2.74Å; D158-V161 WeakPolarHBondContact OD1-CB 3.25Å; T159-V161 PolarHBondContact O-N 3.43Å; V161-A163 PolarHBondContact O-N 3.41Å; V161-A164 PolarHBondContact O-N 2.95Å; V161-F165 HydrophobicContact CG1-CD2 4.09Å; V161-F165 HydrophobicContact CG1-CE2 4.03Å; V161-F165 WeakPolarHBondContact O-CD2 3.35Å; V161-F165 PolarHBondContact O-N 3.24Å
162	T	97.9	Very high	97.6	Very high	47 Å²	47	34.7 Å²	34.7	29%	0.288	18%	0.18	S	C	.	.	H	α-helix	trans	-61.3	-45.2	178.7	-63.9	0	0	0	0	112.2	Y27 N160 A164 F165 E166	Y27-T162 HydrophobicContact CE2-CG2 4.33Å; N160-T162 PolarHBondContact O-N 2.9Å; T162-A164 VanDerWaalsContact C-N 3.29Å; T162-A164 PolarHBondContact O-N 3.41Å; T162-F165 PolarHBondContact O-N 3.35Å; T162-E166 HydrophobicContact CG2-CG 4.32Å; T162-E166 WeakPolarHBondContact CG2-OE1 3.31Å; T162-E166 WeakPolarHBondContact O-CG 3.38Å; T162-E166 PolarHBondContact O-N 2.86Å
163	A	98.2	Very high	97.4	Very high	33 Å²	33	33.2 Å²	33.2	27%	0.273	17%	0.173	S	C	.	.	H	α-helix	trans	-59.9	-38.6	-180	0	0	0	0	0	112.7	F151 N160 V161 A167	F151-A163 HydrophobicContact CD1-CB 4.48Å; F151-A163 HydrophobicContact CE1-CB 4.22Å; N160-A163 PolarHBondContact O-N 3.02Å; V161-A163 PolarHBondContact O-N 3.41Å; A163-A167 VanDerWaalsContact O-CB 3.27Å; A163-A167 WeakPolarHBondContact O-CB 3.35Å; A163-A167 PolarHBondContact O-N 2.97Å
164	A	98.4	Very high	96.9	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-66.1	-46.1	178.5	0	0	0	0	0	112.7	L122 F151 T153 N160 V161 T162 A167 A168	L122-A164 HydrophobicContact CD2-CB 3.61Å; F151-A164 HydrophobicContact CB-CB 3.97Å; F151-A164 HydrophobicContact CD1-CB 4.38Å; F151-A164 HydrophobicContact CD2-CB 4.13Å; F151-A164 HydrophobicContact CG-CB 3.9Å; T153-A164 HydrophobicContact CG2-CB 4.08Å; N160-A164 WeakPolarHBondContact O-CB 3.46Å; N160-A164 PolarHBondContact O-N 3.45Å; V161-A164 PolarHBondContact O-N 2.95Å; T162-A164 VanDerWaalsContact C-N 3.29Å; T162-A164 PolarHBondContact O-N 3.41Å; A164-A167 PolarHBondContact O-N 3.05Å; A164-A168 PolarHBondContact O-N 3.34Å; A164-A168 VanDerWaalsContact O-N 3.13Å
165	F	98.3	Very high	96.4	Very high	1 Å²	1	36.4 Å²	36.4	0%	0.004	20%	0.2	C	C	.	.	H	α-helix	trans	-68.3	-40.1	178	-81.1	-81.6	0	0	0	112.1	L12 Y27 L58 I60 L84 V161 T162 A167 A168 V169	L12-F165 HydrophobicContact CD2-CZ 4.34Å; Y27-F165 HydrophobicContact CD1-CB 4.19Å; Y27-F165 HydrophobicContact CD1-CD1 4.01Å; Y27-F165 AromaticContact CD1-CD2 3.82Å; Y27-F165 HydrophobicContact CD1-CD2 3.82Å; Y27-F165 HydrophobicContact CD1-CE1 4.34Å; Y27-F165 HydrophobicContact CD1-CE2 4.18Å; Y27-F165 AromaticContact CD1-CG 3.74Å; Y27-F165 HydrophobicContact CD1-CG 3.74Å; Y27-F165 HydrophobicContact CD1-CZ 4.43Å; Y27-F165 HydrophobicContact CD2-CB 3.87Å; Y27-F165 AromaticContact CD2-CD2 3.47Å; Y27-F165 HydrophobicContact CD2-CD2 3.47Å; Y27-F165 VanDerWaalsContact CD2-CD2 3.47Å; Y27-F165 HydrophobicContact CD2-CE2 4.24Å; Y27-F165 AromaticContact CD2-CG 3.85Å; Y27-F165 HydrophobicContact CD2-CG 3.85Å; Y27-F165 HydrophobicContact CE1-CB 3.73Å; Y27-F165 HydrophobicContact CE1-CD1 4.02Å; Y27-F165 HydrophobicContact CE1-CD2 4.26Å; Y27-F165 AromaticContact CE1-CG 3.75Å; Y27-F165 HydrophobicContact CE1-CG 3.75Å; Y27-F165 HydrophobicContact CE2-CB 3.41Å; Y27-F165 VanDerWaalsContact CE2-CB 3.41Å; Y27-F165 AromaticContact CE2-CD2 3.98Å; Y27-F165 HydrophobicContact CE2-CD2 3.98Å; Y27-F165 AromaticContact CE2-CG 3.9Å; Y27-F165 HydrophobicContact CE2-CG 3.9Å; Y27-F165 HydrophobicContact CG-CB 4.24Å; Y27-F165 HydrophobicContact CG-CD1 4.42Å; Y27-F165 AromaticContact CG-CD2 3.39Å; Y27-F165 HydrophobicContact CG-CD2 3.39Å; Y27-F165 AromaticContact CG-CE2 3.76Å; Y27-F165 HydrophobicContact CG-CE2 3.76Å; Y27-F165 AromaticContact CG-CG 3.77Å; Y27-F165 HydrophobicContact CG-CG 3.77Å; Y27-F165 HydrophobicContact CG-CZ 4.41Å; Y27-F165 AromaticContact CZ-CG 3.84Å; L58-F165 HydrophobicContact CD2-CD1 4.48Å; I60-F165 HydrophobicContact CD1-CD1 4.06Å; I60-F165 HydrophobicContact CD1-CE1 3.84Å; I60-F165 HydrophobicContact CG1-CE1 4.23Å; I60-F165 HydrophobicContact CG2-CE1 3.74Å; I60-F165 HydrophobicContact CG2-CZ 4.27Å; L84-F165 HydrophobicContact CD1-CD1 3.85Å; L84-F165 HydrophobicContact CD1-CE1 3.47Å; L84-F165 VanDerWaalsContact CD1-CE1 3.47Å; L84-F165 HydrophobicContact CD1-CZ 3.97Å; V161-F165 HydrophobicContact CG1-CD2 4.09Å; V161-F165 HydrophobicContact CG1-CE2 4.03Å; V161-F165 WeakPolarHBondContact O-CD2 3.35Å; V161-F165 PolarHBondContact O-N 3.24Å; T162-F165 PolarHBondContact O-N 3.35Å; F165-A167 VanDerWaalsContact C-N 3.31Å; F165-A167 PolarHBondContact O-N 2.67Å; F165-A168 WeakPolarHBondContact O-CB 3.4Å; F165-A168 PolarHBondContact O-N 2.87Å; F165-V169 WeakPolarHBondContact O-CG2 3.37Å; F165-V169 PolarHBondContact O-N 3.11Å
166	E	97.4	Very high	95.8	Very high	70 Å²	70	40.4 Å²	40.4	33%	0.327	22%	0.218	S	C	.	.	H	α-helix	trans	-65.7	-33.7	174.1	-72.1	-179.6	-180	0	0	112.5	L49 V51 T162 A168 V169 R170	L49-E166 HydrophobicContact CD1-CG 4.3Å; V51-E166 HydrophobicContact CG2-CG 4.35Å; T162-E166 HydrophobicContact CG2-CG 4.32Å; T162-E166 WeakPolarHBondContact CG2-OE1 3.31Å; T162-E166 WeakPolarHBondContact O-CG 3.38Å; T162-E166 PolarHBondContact O-N 2.86Å; E166-A168 VanDerWaalsContact C-N 3.33Å; E166-V169 WeakPolarHBondContact O-CB 3.33Å; E166-V169 PolarHBondContact O-N 3.27Å; E166-R170 WeakPolarHBondContact O-CG 3.1Å; E166-R170 PolarHBondContact O-N 3.3Å
167	A	96.7	Very high	95.1	Very high	3 Å²	3	38.6 Å²	38.6	3%	0.025	21%	0.214	C	C	.	.	H	α-helix	trans	-63.7	-40.3	173.5	0	0	0	0	0	111.6	F151 A163 A164 F165 V169 R170 V171	F151-A167 HydrophobicContact CE1-CB 4.46Å; F151-A167 HydrophobicContact CE2-CB 3.42Å; F151-A167 VanDerWaalsContact CE2-CB 3.42Å; F151-A167 HydrophobicContact CZ-CB 3.37Å; A163-A167 VanDerWaalsContact O-CB 3.27Å; A163-A167 WeakPolarHBondContact O-CB 3.35Å; A163-A167 PolarHBondContact O-N 2.97Å; A164-A167 PolarHBondContact O-N 3.05Å; F165-A167 VanDerWaalsContact C-N 3.31Å; F165-A167 PolarHBondContact O-N 2.67Å; A167-V169 VanDerWaalsContact C-N 3.3Å; A167-V169 PolarHBondContact O-N 3.29Å; A167-R170 PolarHBondContact O-N 3.09Å; A167-V171 VanDerWaalsContact O-CG2 3.26Å; A167-V171 WeakPolarHBondContact O-CG2 3.42Å; A167-V171 PolarHBondContact O-N 2.88Å
168	A	97.3	Very high	94.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-57.8	-44	173.8	0	0	0	0	0	111.7	L84 V120 A164 F165 E166 V171 V172	L84-A168 HydrophobicContact CD2-CB 3.84Å; V120-A168 HydrophobicContact CG2-CB 4.15Å; A164-A168 PolarHBondContact O-N 3.34Å; A164-A168 VanDerWaalsContact O-N 3.13Å; F165-A168 WeakPolarHBondContact O-CB 3.4Å; F165-A168 PolarHBondContact O-N 2.87Å; E166-A168 VanDerWaalsContact C-N 3.33Å; A168-V171 PolarHBondContact O-N 3.01Å; A168-V172 WeakPolarHBondContact O-CG2 3.19Å; A168-V172 PolarHBondContact O-N 3.01Å; A168-V172 VanDerWaalsContact O-N 3.12Å
169	V	97.1	Very high	93.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.4	-48.8	174.1	-178.9	0	0	0	0	111.4	L8 L49 V51 V56 L58 F165 E166 A167 V171 V172 L173	L8-V169 HydrophobicContact CD1-CG1 4.03Å; L49-V169 HydrophobicContact CD1-CG2 4.4Å; V51-V169 HydrophobicContact CB-CG1 3.89Å; V51-V169 HydrophobicContact CG1-CB 4.45Å; V51-V169 HydrophobicContact CG1-CG1 4.13Å; V51-V169 HydrophobicContact CG2-CB 4.08Å; V51-V169 HydrophobicContact CG2-CG1 3.78Å; V51-V169 HydrophobicContact CG2-CG2 4.34Å; V56-V169 HydrophobicContact CG1-CG1 4.41Å; V56-V169 HydrophobicContact CG2-CG1 4Å; L58-V169 HydrophobicContact CD1-CG2 3.29Å; L58-V169 HydrophobicContact CD2-CG2 3.71Å; L58-V169 HydrophobicContact CG-CG2 4.01Å; F165-V169 WeakPolarHBondContact O-CG2 3.37Å; F165-V169 PolarHBondContact O-N 3.11Å; E166-V169 WeakPolarHBondContact O-CB 3.33Å; E166-V169 PolarHBondContact O-N 3.27Å; A167-V169 VanDerWaalsContact C-N 3.3Å; A167-V169 PolarHBondContact O-N 3.29Å; V169-V171 VanDerWaalsContact C-N 3.32Å; V169-V171 PolarHBondContact O-N 2.91Å; V169-V172 PolarHBondContact O-N 2.97Å; V169-L173 HydrophobicContact CG1-CD1 3.59Å; V169-L173 HydrophobicContact CG1-CG 4.14Å; V169-L173 VanDerWaalsContact O-CG 3.3Å; V169-L173 WeakPolarHBondContact O-CG 3.5Å; V169-L173 PolarHBondContact O-N 3.27Å
170	R	95.9	Very high	91.8	Very high	99 Å²	99	41.6 Å²	41.6	37%	0.374	23%	0.23	S	C	.	.	H	α-helix	trans	-60.1	-40.5	-179.7	-75.8	-177	-87.4	120.9	-4.3	112.5	V51 D52 E166 A167 A174	V51-R170 HydrophobicContact CG1-CG 3.56Å; D52-R170 WeakPolarHBondContact OD2-CD 3.43Å; D52-R170 WeakPolarHBondContact OD2-CG 3.43Å; E166-R170 WeakPolarHBondContact O-CG 3.1Å; E166-R170 PolarHBondContact O-N 3.3Å; A167-R170 PolarHBondContact O-N 3.09Å; R170-A174 VanDerWaalsContact O-CB 3.28Å; R170-A174 WeakPolarHBondContact O-CB 3.42Å; R170-A174 PolarHBondContact O-N 3.37Å
171	V	94.7	Very high	90.4	Very high	41 Å²	41	44.7 Å²	44.7	25%	0.248	24%	0.241	C	C	.	.	H	α-helix	trans	-65.1	-44	178.1	178.2	0	0	0	0	110.9	P118 P149 A167 A168 V169 A174 A175	P118-V171 HydrophobicContact CB-CB 4.48Å; P118-V171 HydrophobicContact CB-CG1 3.67Å; P118-V171 HydrophobicContact CG-CG1 4.21Å; P149-V171 HydrophobicContact CG-CG2 3.82Å; A167-V171 VanDerWaalsContact O-CG2 3.26Å; A167-V171 WeakPolarHBondContact O-CG2 3.42Å; A167-V171 PolarHBondContact O-N 2.88Å; A168-V171 PolarHBondContact O-N 3.01Å; V169-V171 VanDerWaalsContact C-N 3.32Å; V169-V171 PolarHBondContact O-N 2.91Å; V171-A174 PolarHBondContact O-N 3.36Å; V171-A175 PolarHBondContact O-N 2.95Å
172	V	94.1	Very high	88.9	Confident	5 Å²	5	48 Å²	48	3%	0.03	27%	0.268	C	S	.	.	H	α-helix	trans	-62.7	-50.7	177.8	176.1	0	0	0	0	111.1	L8 D81 C82 P118 A168 V169 A174 A175 E176	L8-V172 HydrophobicContact CD1-CB 4.11Å; L8-V172 HydrophobicContact CD1-CG1 3.99Å; L8-V172 HydrophobicContact CD2-CG1 3.69Å; L8-V172 HydrophobicContact CG-CG1 4.47Å; D81-V172 HydrophobicContact CB-CG1 4Å; D81-V172 HydrophobicContact CB-CG2 4.23Å; D81-V172 WeakPolarHBondContact O-CG2 3.47Å; C82-V172 HydrophobicContact CB-CG2 3.57Å; P118-V172 HydrophobicContact CB-CG2 4.04Å; P118-V172 HydrophobicContact CG-CG2 4.12Å; A168-V172 WeakPolarHBondContact O-CG2 3.19Å; A168-V172 PolarHBondContact O-N 3.01Å; A168-V172 VanDerWaalsContact O-N 3.12Å; V169-V172 PolarHBondContact O-N 2.97Å; V172-A174 VanDerWaalsContact C-N 3.27Å; V172-A174 PolarHBondContact O-N 3.49Å; V172-A175 WeakPolarHBondContact O-CB 3.24Å; V172-A175 PolarHBondContact O-N 3.43Å; V172-A175 VanDerWaalsContact O-N 3.07Å; V172-E176 HydrophobicContact CG1-CG 4.48Å; V172-E176 PolarHBondContact O-N 3.22Å
173	L	92.7	Very high	87.1	Confident	3 Å²	3	51.1 Å²	51.1	2%	0.016	28%	0.283	C	S	.	.	H	α-helix	trans	-61.9	-36.7	-178.7	-66.1	173.7	0	0	0	111.8	V56 V169 E176 D177	V56-L173 HydrophobicContact CG2-CD1 4.44Å; V169-L173 HydrophobicContact CG1-CD1 3.59Å; V169-L173 HydrophobicContact CG1-CG 4.14Å; V169-L173 VanDerWaalsContact O-CG 3.3Å; V169-L173 WeakPolarHBondContact O-CG 3.5Å; V169-L173 PolarHBondContact O-N 3.27Å; L173-E176 PolarHBondContact O-N 3.17Å; L173-D177 WeakPolarHBondContact O-CB 3.33Å; L173-D177 PolarHBondContact O-N 3.36Å
174	A	90.3	Very high	85.3	Confident	44 Å²	44	55.7 Å²	55.7	36%	0.364	30%	0.302	S	S	.	.	H	α-helix	trans	-65.6	-38.6	174.6	0	0	0	0	0	112.5	R170 V171 V172 Q178	R170-A174 VanDerWaalsContact O-CB 3.28Å; R170-A174 WeakPolarHBondContact O-CB 3.42Å; R170-A174 PolarHBondContact O-N 3.37Å; V171-A174 PolarHBondContact O-N 3.36Å; V172-A174 VanDerWaalsContact C-N 3.27Å; V172-A174 PolarHBondContact O-N 3.49Å; A174-Q178 WeakPolarHBondContact O-CG 3.33Å; A174-Q178 PolarHBondContact O-N 3.03Å; A174-Q178 VanDerWaalsContact O-N 3.16Å
175	A	86.9	Confident	83.2	Confident	24 Å²	24	59.1 Å²	59.1	20%	0.198	34%	0.337	C	S	.	.	H	α-helix	trans	-66.8	-41.4	175.9	0	0	0	0	0	111.7	P118 V171 V172 Q178 I179	P118-A175 HydrophobicContact CG-CB 4.33Å; V171-A175 PolarHBondContact O-N 2.95Å; V172-A175 WeakPolarHBondContact O-CB 3.24Å; V172-A175 PolarHBondContact O-N 3.43Å; V172-A175 VanDerWaalsContact O-N 3.07Å; A175-Q178 PolarHBondContact O-N 2.79Å; A175-I179 WeakPolarHBondContact O-CG1 3.43Å; A175-I179 PolarHBondContact O-N 2.88Å; A175-I179 VanDerWaalsContact O-N 3.11Å
176	E	85.1	Confident	81.1	Confident	85 Å²	85	62.7 Å²	62.7	40%	0.397	36%	0.363	S	S	.	.	H	α-helix	trans	-62.4	-43.9	175.1	-70	-173.2	149.5	0	0	112.3	V172 L173 Q178 I179 G180	V172-E176 HydrophobicContact CG1-CG 4.48Å; V172-E176 PolarHBondContact O-N 3.22Å; L173-E176 PolarHBondContact O-N 3.17Å; E176-Q178 VanDerWaalsContact C-N 3.31Å; E176-Q178 PolarHBondContact O-N 3.06Å; E176-I179 PolarHBondContact O-N 3.15Å; E176-G180 PolarHBondContact O-N 3.17Å
177	D	84.3	Confident	78.7	Confident	75 Å²	75	64.5 Å²	64.5	40%	0.401	38%	0.379	S	S	.	.	H	α-helix	trans	-61.2	-40.3	178.2	-71.7	-29.6	0	0	0	110.9	R54 L173 G180 H181	R54-D177 IonicContact CZ-OD2 3.95Å; R54-D177 IonicContact NH1-OD1 3.7Å; R54-D177 PolarHBondContact NH1-OD1 3.27Å; R54-D177 IonicContact NH1-OD2 3.05Å; R54-D177 PolarHBondContact NH1-OD2 2.92Å; R54-D177 IonicContact NH2-OD2 2.82Å; L173-D177 WeakPolarHBondContact O-CB 3.33Å; L173-D177 PolarHBondContact O-N 3.36Å; D177-G180 PolarHBondContact O-N 3.29Å; D177-H181 WeakPolarHBondContact O-CB 3.06Å; D177-H181 PolarHBondContact O-CD2 3.29Å; D177-H181 PolarHBondContact O-N 3.48Å
178	Q	79.1	Confident	76.8	Confident	142 Å²	142	71 Å²	71	66%	0.664	41%	0.411	S	S	*	.	H	α-helix	trans	-64.1	-43.4	176	-72.9	175.1	6.4	0	0	112.6	A174 A175 E176 H181 A182	A174-Q178 WeakPolarHBondContact O-CG 3.33Å; A174-Q178 PolarHBondContact O-N 3.03Å; A174-Q178 VanDerWaalsContact O-N 3.16Å; A175-Q178 PolarHBondContact O-N 2.79Å; E176-Q178 VanDerWaalsContact C-N 3.31Å; E176-Q178 PolarHBondContact O-N 3.06Å; Q178-H181 PolarHBondContact O-N 2.96Å; Q178-A182 WeakPolarHBondContact O-CB 3.47Å; Q178-A182 PolarHBondContact O-N 3.42Å
179	I	75.6	Confident	74.7	Confident	91 Å²	91	78.2 Å²	78.2	47%	0.467	45%	0.45	S	S	.	.	H	α-helix	trans	-64.7	-44.5	177.4	-66.2	165.9	0	0	0	110.4	A175 E176 H181 A182 L183	A175-I179 WeakPolarHBondContact O-CG1 3.43Å; A175-I179 PolarHBondContact O-N 2.88Å; A175-I179 VanDerWaalsContact O-N 3.11Å; E176-I179 PolarHBondContact O-N 3.15Å; I179-H181 VanDerWaalsContact C-N 3.34Å; I179-H181 PolarHBondContact O-N 2.71Å; I179-A182 PolarHBondContact O-N 2.93Å; I179-L183 HydrophobicContact CG2-CD1 3.99Å; I179-L183 WeakPolarHBondContact O-CG 3.31Å; I179-L183 PolarHBondContact O-N 3.08Å
180	G	71.4	Confident	72.6	Confident	31 Å²	31	85.7 Å²	85.7	32%	0.32	49%	0.489	S	S	.	.	H	α-helix	trans	-58.9	-44.1	176.7	0	0	0	0	0	112.4	E176 D177 L183 L184	E176-G180 PolarHBondContact O-N 3.17Å; D177-G180 PolarHBondContact O-N 3.29Å; G180-L183 PolarHBondContact O-N 3.35Å; G180-L184 WeakPolarHBondContact O-CG 3.42Å; G180-L184 PolarHBondContact O-N 3.47Å; G180-L184 VanDerWaalsContact O-N 3.1Å
181	H	67.8	Low	70.5	Confident	143 Å²	143	89.6 Å²	89.6	66%	0.662	51%	0.511	S	S	*	.	H	α-helix	trans	-65.9	-40.4	176	-85.8	-68.2	0	0	0	113.2	D177 Q178 I179 L184 G185	D177-H181 WeakPolarHBondContact O-CB 3.06Å; D177-H181 PolarHBondContact O-CD2 3.29Å; D177-H181 PolarHBondContact O-N 3.48Å; Q178-H181 PolarHBondContact O-N 2.96Å; I179-H181 VanDerWaalsContact C-N 3.34Å; I179-H181 PolarHBondContact O-N 2.71Å; H181-L184 PolarHBondContact O-N 3.16Å; H181-G185 PolarHBondContact O-N 2.95Å
182	A	66.8	Low	68.2	Low	69 Å²	69	91 Å²	91	57%	0.57	53%	0.534	S	S	*	.	H	α-helix	trans	-63.6	-40.8	177.3	0	0	0	0	0	112.2	Q178 I179 S186	Q178-A182 WeakPolarHBondContact O-CB 3.47Å; Q178-A182 PolarHBondContact O-N 3.42Å; I179-A182 PolarHBondContact O-N 2.93Å; A182-S186 PolarHBondContact O-N 3.02Å
183	L	61.9	Low	65.7	Low	114 Å²	114	97.4 Å²	97.4	60%	0.597	57%	0.568	S	S	*	*	H	α-helix	trans	-66.6	-43.5	177	-71	169.6	0	0	0	111.9	I179 G180 S186	I179-L183 HydrophobicContact CG2-CD1 3.99Å; I179-L183 WeakPolarHBondContact O-CG 3.31Å; I179-L183 PolarHBondContact O-N 3.08Å; G180-L183 PolarHBondContact O-N 3.35Å; L183-S186 PolarHBondContact O-N 3.01Å; L183-S186 PolarHBondContact O-OG 3.36Å
184	L	60.2	Low	63.4	Low	128 Å²	128	108 Å²	108	67%	0.67	61%	0.608	S	S	*	*	H	α-helix	trans	-66.9	-37.1	177.7	-73.4	168	0	0	0	112.6	G180 H181 S186 T187	G180-L184 WeakPolarHBondContact O-CG 3.42Å; G180-L184 PolarHBondContact O-N 3.47Å; G180-L184 VanDerWaalsContact O-N 3.1Å; H181-L184 PolarHBondContact O-N 3.16Å; L184-S186 PolarHBondContact O-N 3.01Å; L184-T187 PolarHBondContact O-N 3.31Å; L184-T187 PolarHBondContact O-OG1 3.35Å
185	G	53.1	Low	61.1	Low	73 Å²	73	114.8 Å²	114.8	75%	0.753	63%	0.63	S	S	*	*	H	α-helix	trans	-68.4	-17.4	175.3	0	0	0	0	0	114.6	H181	H181-G185 PolarHBondContact O-N 2.95Å
186	S	53.8	Low	59	Low	76 Å²	76	119.3 Å²	119.3	53%	0.531	66%	0.655	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.8	6	179	74.9	0	0	0	0	114.5	A182 L183 L184 I188	A182-S186 PolarHBondContact O-N 3.02Å; L183-S186 PolarHBondContact O-N 3.01Å; L183-S186 PolarHBondContact O-OG 3.36Å; L184-S186 PolarHBondContact O-N 3.01Å; S186-I188 PolarHBondContact O-N 3.23Å
187	T	48.5	Very low	56.9	Low	108 Å²	108	120.9 Å²	120.9	66%	0.663	68%	0.675	S	S	*	*			trans	-65.5	101.4	176.7	-41.3	0	0	0	0	109.5	L184 D189	L184-T187 PolarHBondContact O-N 3.31Å; L184-T187 PolarHBondContact O-OG1 3.35Å; T187-D189 PolarHBondContact O-N 3.18Å
188	I	55.7	Low	55.3	Low	139 Å²	139	129 Å²	129	71%	0.713	70%	0.7	S	S	*	*			trans	-59.9	115.5	174.5	-63.5	168.1	0	0	0	108.6	S186 L190	S186-I188 PolarHBondContact O-N 3.23Å; I188-L190 HydrophobicContact CG2-CD2 4.48Å; I188-L190 HydrophobicContact CG2-CG 4.38Å; I188-L190 PolarHBondContact O-N 3.43Å
189	D	53.7	Low	53.4	Low	152 Å²	152	126.1 Å²	126.1	81%	0.813	71%	0.708	S	S	*	*			trans	-64	97.5	169.9	-110.4	-23.8	0	0	0	109.6	T187 H191	T187-D189 PolarHBondContact O-N 3.18Å; D189-H191 PolarHBondContact O-N 3.11Å; D189-H191 VanDerWaalsContact O-N 3.16Å
190	L	53.4	Low	52.1	Low	157 Å²	157	127 Å²	127	82%	0.822	72%	0.723	S	S	*	*			trans	-77.1	13.7	177	-78.5	166	0	0	0	113.5	I188	I188-L190 HydrophobicContact CG2-CD2 4.48Å; I188-L190 HydrophobicContact CG2-CG 4.38Å; I188-L190 PolarHBondContact O-N 3.43Å
191	H	50.7	Low	50.7	Low	181 Å²	181	131.3 Å²	131.3	84%	0.838	75%	0.746	S	S	*	*			trans	-105.3	36.8	176.3	-93.8	59.7	0	0	0	113.8	D189 N193	D189-H191 PolarHBondContact O-N 3.11Å; D189-H191 VanDerWaalsContact O-N 3.16Å; H191-N193 VanDerWaalsContact C-N 3.31Å; H191-N193 PolarHBondContact O-N 2.76Å
192	G	46.6	Very low	49.7	Very low	71 Å²	71	134 Å²	134	73%	0.732	78%	0.779	S	S	*	*			trans	-65.3	89	161.1	0	0	0	0	0	111	R194	G192-R194 PolarHBondContact O-N 3.49Å
193	N	42.5	Very low	48.9	Very low	140 Å²	140	137.2 Å²	137.2	75%	0.749	79%	0.789	S	S	*	*			trans	-47.5	106.4	175.8	-164.3	6.4	0	0	0	111.2	H191 K195	H191-N193 VanDerWaalsContact C-N 3.31Å; H191-N193 PolarHBondContact O-N 2.76Å; N193-K195 VanDerWaalsContact C-N 3.35Å; N193-K195 PolarHBondContact O-N 3.48Å
194	R	44.2	Very low	48.2	Very low	226 Å²	226	138.4 Å²	138.4	85%	0.853	80%	0.799	S	S	*	*			trans	-66.9	90.4	174.4	-127.7	179	179.3	178	-0.3	108.1	G192 T196	G192-R194 PolarHBondContact O-N 3.49Å; R194-T196 VanDerWaalsContact C-N 3.33Å; R194-T196 PolarHBondContact O-N 3.01Å
195	K	41.3	Very low	47.5	Very low	186 Å²	186	139 Å²	139	81%	0.809	81%	0.806	S	S	*	*			trans	-69.9	95.2	163.1	-80.4	-172.6	178.4	178.3	0	108.2	N193 S197	N193-K195 VanDerWaalsContact C-N 3.35Å; N193-K195 PolarHBondContact O-N 3.48Å; K195-S197 PolarHBondContact O-N 2.96Å; K195-S197 VanDerWaalsContact O-N 3.08Å
196	T	42.6	Very low	47.2	Very low	119 Å²	119	142.9 Å²	142.9	73%	0.73	81%	0.81	S	S	*	*			trans	-67	94.7	163	40.3	0	0	0	0	108.7	R194 R198	R194-T196 VanDerWaalsContact C-N 3.33Å; R194-T196 PolarHBondContact O-N 3.01Å; T196-R198 PolarHBondContact O-N 2.74Å; T196-R198 VanDerWaalsContact O-N 3.11Å
197	S	42.7	Very low	46.8	Very low	117 Å²	117	147.1 Å²	147.1	82%	0.818	83%	0.827	S	S	*	*			trans	-74.4	98.1	163.2	60.4	0	0	0	0	108.6	K195 G199	K195-S197 PolarHBondContact O-N 2.96Å; K195-S197 VanDerWaalsContact O-N 3.08Å; S197-G199 PolarHBondContact O-N 3.1Å
198	R	49.7	Very low	46.7	Very low	247 Å²	247	149.7 Å²	149.7	93%	0.932	84%	0.838	S	S	*	*			trans	-63	115.4	157	-79.3	179.2	171.2	172	-2.7	107.9	T196	T196-R198 PolarHBondContact O-N 2.74Å; T196-R198 VanDerWaalsContact O-N 3.11Å
199	G	39.1	Very low	46	Very low	81 Å²	81	150.4 Å²	150.4	84%	0.835	85%	0.847	S	S	*	*			trans	-119.3	114.4	163.8	0	0	0	0	0	108.8	S197	S197-G199 PolarHBondContact O-N 3.1Å
200	S	48.6	Very low	45.4	Very low	110 Å²	110	150.3 Å²	150.3	77%	0.769	85%	0.849	S	S	*	*			trans	-105	135.7	178.5	164.6	0	0	0	0	108.9
201	C	42.1	Very low	44.8	Very low	121 Å²	121	149.8 Å²	149.8	82%	0.818	85%	0.852	S	S	*	*			trans	54	152	161.9	-83.6	0	0	0	0	117.9
202	C	47.3	Very low	44.2	Very low	198 Å²	198	146.9 Å²	146.9	100%	1.338	85%	0.853	S	S	*	*			cis	-130.6	0	20.2	-67.1	0	0	0	0	111.8

Retrieved 202 of 202 residues in 220.6 ms (Link to these results)

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