A0A087YIL8_POEFO Loading...

Ras-related protein Rab-15

The small GTPases Rab are key regulators of intracellular membrane trafficking, from the formation of transport vesicles to their fusion with membranes. Rabs cycle between an inactive GDP-bound form and an active GTP-bound form that is able to recruit to membranes different sets of downstream effectors directly responsible for vesicle formation, movement, tethering and fusion. RAB15 may act in concert with RAB3A in regulating aspects of synaptic vesicle membrane flow within the nerve terminal.

AlphaFold DB , UniProt , Accession A0A087YIL8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 213 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.7	Very low	80.8	Confident	247 Å²	247	85 Å²	85	100%	1.217	43%	0.426	S	S	*	.				0	129.8	0	-65.8	-177.6	-168	0	0	107.7
2	A	53.6	Low	82	Confident	97 Å²	97	78 Å²	78	80%	0.802	39%	0.391	S	S	*	.			trans	-60.4	137.3	-176.1	0	0	0	0	0	111.7	Q4	A2-Q4 PolarHBondContact O-N 3.39Å; A2-Q4 VanDerWaalsContact O-N 3.11Å
3	K	64.4	Low	83	Confident	145 Å²	145	72.1 Å²	72.1	63%	0.63	36%	0.361	S	S	*	.			trans	-60.8	111.6	-180	-157.5	-173.3	176.4	-177.4	0	109.2	Y5	K3-Y5 VanDerWaalsContact C-N 3.29Å; K3-Y5 VanDerWaalsContact CE-O 3.3Å; K3-Y5 WeakPolarHBondContact CE-O 3.25Å; K3-Y5 WeakPolarHBondContact CG-O 3.2Å; K3-Y5 PolarHBondContact O-N 3.44Å
4	Q	80	Confident	83.8	Confident	146 Å²	146	66.9 Å²	66.9	68%	0.682	34%	0.335	S	S	*	.	S	Bend	trans	-73	-18.7	-175.5	-85.1	-177.1	-1	0	0	113.9	A2	A2-Q4 PolarHBondContact O-N 3.39Å; A2-Q4 VanDerWaalsContact O-N 3.11Å
5	Y	87.3	Confident	84.5	Confident	74 Å²	74	62.5 Å²	62.5	29%	0.29	31%	0.313	S	S	.	.			trans	-153.6	154.3	-178.7	60.8	-90.8	0	0	0	110.6	K3 V7 L8 R58	K3-Y5 VanDerWaalsContact C-N 3.29Å; K3-Y5 VanDerWaalsContact CE-O 3.3Å; K3-Y5 WeakPolarHBondContact CE-O 3.25Å; K3-Y5 WeakPolarHBondContact CG-O 3.2Å; K3-Y5 PolarHBondContact O-N 3.44Å; Y5-V7 VanDerWaalsContact CD2-O 3.31Å; Y5-V7 WeakPolarHBondContact CD2-O 3.39Å; Y5-L8 HydrophobicContact CD2-CB 4.46Å; Y5-L8 HydrophobicContact CE2-CB 3.82Å; Y5-R58 HydrophobicContact CD1-CB 4.01Å; Y5-R58 VanDerWaalsContact CD1-CD 3.42Å; Y5-R58 HydrophobicContact CD1-CG 4.37Å; Y5-R58 HydrophobicContact CD2-CB 3.91Å; Y5-R58 HydrophobicContact CG-CB 3.63Å; Y5-R58 HydrophobicContact CG-CG 4.47Å
6	D	88.2	Confident	84.9	Confident	63 Å²	63	60.3 Å²	60.3	34%	0.337	30%	0.303	S	S	.	.	S	Bend	trans	-84.2	-42.8	-178.9	-61.1	-51.6	0	0	0	111.5	I55 K56	D6-I55 HydrophobicContact CB-CG2 3.68Å; D6-K56 PolarHBondContact N-O 3.48Å; D6-K56 PolarHBondContact OD2-N 3.26Å
7	V	91.6	Very high	85.3	Confident	19 Å²	19	59.8 Å²	59.8	12%	0.115	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	150.9	-175.8	-60.2	0	0	0	0	111.5	Y5 F9 I55 K56 V57 R58 L177	Y5-V7 VanDerWaalsContact CD2-O 3.31Å; Y5-V7 WeakPolarHBondContact CD2-O 3.39Å; V7-F9 HydrophobicContact CB-CE1 4.13Å; V7-F9 HydrophobicContact CB-CZ 4.47Å; V7-F9 HydrophobicContact CG2-CE1 3.93Å; V7-F9 HydrophobicContact CG2-CE2 4.42Å; V7-F9 HydrophobicContact CG2-CZ 3.81Å; V7-I55 HydrophobicContact CG2-CG2 4.1Å; V7-K56 PolarHBondContact N-O 2.89Å; V7-V57 HydrophobicContact CG2-CB 4.09Å; V7-V57 HydrophobicContact CG2-CG1 4.05Å; V7-V57 HydrophobicContact CG2-CG2 3.7Å; V7-R58 PolarHBondContact O-N 3.23Å; V7-L177 HydrophobicContact CG1-CD1 3.98Å; V7-L177 HydrophobicContact CG1-CD2 3.42Å; V7-L177 VanDerWaalsContact CG1-CD2 3.42Å; V7-L177 HydrophobicContact CG1-CG 4.35Å
8	L	92.9	Very high	85.6	Confident	46 Å²	46	57.9 Å²	57.9	24%	0.241	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	122.5	175.6	175.5	68.6	0	0	0	109.4	Y5 R58 Q60	Y5-L8 HydrophobicContact CD2-CB 4.46Å; Y5-L8 HydrophobicContact CE2-CB 3.82Å; L8-R58 CarbonylContact C-O 3.58Å; L8-R58 VanDerWaalsContact CA-O 3.25Å; L8-R58 WeakPolarHBondContact CA-O 3.47Å; L8-R58 HydrophobicContact CD1-CB 4.07Å; L8-R58 HydrophobicContact CD1-CG 3.96Å; L8-R58 WeakPolarHBondContact CD1-O 3.47Å; L8-Q60 HydrophobicContact CD1-CB 4.26Å
9	F	95.1	Very high	86.1	Confident	4 Å²	4	55 Å²	55	2%	0.018	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	141.6	172.5	-58.9	-26.1	0	0	0	112.2	V7 L11 V57 R58 I59 Q60 Q82 A166 V169 L170	V7-F9 HydrophobicContact CB-CE1 4.13Å; V7-F9 HydrophobicContact CB-CZ 4.47Å; V7-F9 HydrophobicContact CG2-CE1 3.93Å; V7-F9 HydrophobicContact CG2-CE2 4.42Å; V7-F9 HydrophobicContact CG2-CZ 3.81Å; F9-L11 HydrophobicContact CB-CD2 4.46Å; F9-V57 HydrophobicContact CD2-CG1 3.27Å; F9-V57 HydrophobicContact CE2-CB 4.49Å; F9-V57 HydrophobicContact CE2-CG1 3.39Å; F9-V57 HydrophobicContact CE2-CG2 4.26Å; F9-V57 HydrophobicContact CG-CG1 4.01Å; F9-V57 HydrophobicContact CZ-CG1 4.2Å; F9-R58 PolarHBondContact N-O 2.99Å; F9-I59 HydrophobicContact CB-CG2 4.23Å; F9-I59 HydrophobicContact CD2-CG2 4.44Å; F9-I59 WeakPolarHBondContact O-CA 3.36Å; F9-Q60 PolarHBondContact O-N 3.45Å; F9-Q82 VanDerWaalsContact CA-OE1 3.31Å; F9-A166 WeakPolarHBondContact CE2-O 3.44Å; F9-V169 HydrophobicContact CB-CG1 4.26Å; F9-V169 HydrophobicContact CD1-CG1 3.73Å; F9-V169 HydrophobicContact CD2-CB 4.04Å; F9-V169 HydrophobicContact CD2-CG1 3.69Å; F9-V169 HydrophobicContact CE1-CG1 3.93Å; F9-V169 HydrophobicContact CE2-CB 4.15Å; F9-V169 HydrophobicContact CE2-CG1 3.88Å; F9-V169 HydrophobicContact CG-CB 4.44Å; F9-V169 HydrophobicContact CG-CG1 3.63Å; F9-V169 HydrophobicContact CZ-CG1 4.01Å; F9-L170 HydrophobicContact CE2-CB 3.88Å; F9-L170 HydrophobicContact CE2-CD1 4.39Å; F9-L170 HydrophobicContact CZ-CB 3.9Å; F9-L170 HydrophobicContact CZ-CD1 3.78Å; F9-L170 HydrophobicContact CZ-CG 4.46Å
10	R	94.8	Very high	86.5	Confident	94 Å²	94	52.8 Å²	52.8	36%	0.355	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	114.2	175.3	-63.2	-179.1	-176.3	90.8	-0.5	109.5	Q60 R80 Q82 G83	R10-Q60 CarbonylContact C-O 3.6Å; R10-Q60 WeakPolarHBondContact CA-O 3.44Å; R10-R80 WeakPolarHBondContact CB-O 3.4Å; R10-Q82 PolarHBondContact O-N 2.81Å; R10-G83 PolarHBondContact O-N 2.87Å
11	L	95.8	Very high	86.9	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	149.2	179.7	-51.5	-176.6	0	0	0	110.1	F9 I59 Q60 I61 W62 G83 F85 L165 V169	F9-L11 HydrophobicContact CB-CD2 4.46Å; L11-I59 HydrophobicContact CD1-CB 4.18Å; L11-I59 HydrophobicContact CD1-CD1 4.48Å; L11-I59 HydrophobicContact CD1-CG2 4.21Å; L11-Q60 PolarHBondContact N-O 3.26Å; L11-I61 HydrophobicContact CB-CG1 4.11Å; L11-I61 HydrophobicContact CD1-CG1 4.19Å; L11-I61 WeakPolarHBondContact O-CA 3.48Å; L11-W62 PolarHBondContact O-N 3.44Å; L11-G83 CarbonylContact C-O 3.38Å; L11-G83 VanDerWaalsContact CA-O 3.25Å; L11-G83 WeakPolarHBondContact CA-O 3.37Å; L11-F85 HydrophobicContact CB-CE2 4.27Å; L11-F85 HydrophobicContact CD1-CE2 4.12Å; L11-F85 HydrophobicContact CD1-CZ 4.38Å; L11-L165 HydrophobicContact CD1-CD2 4.32Å; L11-L165 HydrophobicContact CD2-CD2 3.96Å; L11-L165 HydrophobicContact CD2-CG 4.21Å; L11-V169 HydrophobicContact CD2-CG2 4.27Å
12	L	94.8	Very high	89.2	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	133.7	-179	-170.4	64.2	0	0	0	110.6	L14 W62 T64 A81 G83 I84 F85	L12-L14 HydrophobicContact CD2-CD1 4.19Å; L12-L14 HydrophobicContact CD2-CD2 3.8Å; L12-L14 HydrophobicContact CD2-CG 4.02Å; L12-L14 HydrophobicContact CG-CD2 3.95Å; L12-L14 HydrophobicContact CG-CG 4.07Å; L12-W62 HydrophobicContact CD1-CB 3.57Å; L12-T64 HydrophobicContact CD1-CG2 3.43Å; L12-T64 VanDerWaalsContact CD1-CG2 3.43Å; L12-T64 HydrophobicContact CG-CG2 4.27Å; L12-A81 HydrophobicContact CB-CB 4.23Å; L12-G83 PolarHBondContact N-O 2.8Å; L12-I84 HydrophobicContact CB-CG1 4.18Å; L12-I84 WeakPolarHBondContact O-CA 3.28Å; L12-F85 PolarHBondContact O-N 3.43Å
13	L	95.1	Very high	91.1	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	121.4	170.7	-64.6	162.4	0	0	0	109	K21 L25 I61 W62 D63 T64 F85 V87 F162	L13-K21 HydrophobicContact CB-CB 4.15Å; L13-K21 HydrophobicContact CB-CD 4.13Å; L13-K21 HydrophobicContact CB-CG 4.36Å; L13-K21 HydrophobicContact CD1-CB 4.44Å; L13-L25 HydrophobicContact CD1-CB 3.85Å; L13-L25 HydrophobicContact CD1-CD2 4.44Å; L13-I61 HydrophobicContact CD1-CG2 3.78Å; L13-I61 HydrophobicContact CG-CG2 3.89Å; L13-W62 PolarHBondContact N-O 2.84Å; L13-D63 HydrophobicContact CD1-CB 4.36Å; L13-T64 PolarHBondContact O-OG1 3.23Å; L13-F85 HydrophobicContact CD2-CB 3.87Å; L13-F85 HydrophobicContact CD2-CD2 3.56Å; L13-F85 HydrophobicContact CD2-CE2 4.38Å; L13-F85 HydrophobicContact CD2-CG 3.95Å; L13-F85 HydrophobicContact CG-CD2 4.31Å; L13-V87 HydrophobicContact CD2-CG2 4.37Å; L13-F162 HydrophobicContact CD2-CE1 4.42Å; L13-F162 HydrophobicContact CD2-CZ 4.09Å
14	L	93.8	Very high	92.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	155.3	176.1	-62.5	178.4	0	0	0	110.9	L12 T64 T74 Y78 I84 F85 L86 V87 W102 V106	L12-L14 HydrophobicContact CD2-CD1 4.19Å; L12-L14 HydrophobicContact CD2-CD2 3.8Å; L12-L14 HydrophobicContact CD2-CG 4.02Å; L12-L14 HydrophobicContact CG-CD2 3.95Å; L12-L14 HydrophobicContact CG-CG 4.07Å; L14-T64 HydrophobicContact CD2-CG2 4.32Å; L14-T74 HydrophobicContact CD2-CG2 3.71Å; L14-Y78 HydrophobicContact CD1-CD1 4.29Å; L14-Y78 HydrophobicContact CD1-CE1 3.37Å; L14-I84 HydrophobicContact CD1-CG2 3.63Å; L14-I84 HydrophobicContact CG-CG2 4.04Å; L14-F85 PolarHBondContact N-O 3.11Å; L14-L86 HydrophobicContact CB-CD2 3.96Å; L14-L86 HydrophobicContact CD1-CD2 4.14Å; L14-V87 PolarHBondContact O-N 3.32Å; L14-W102 HydrophobicContact CB-CE3 4.22Å; L14-W102 HydrophobicContact CD2-CE3 4.47Å; L14-W102 HydrophobicContact CD2-CZ3 4.31Å; L14-V106 HydrophobicContact CD1-CG2 3.67Å
15	G	93.9	Very high	93.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.138	C	C	.	.			trans	140.5	168.9	-176.9	0	0	0	0	0	112	K21 G66 V87	G15-K21 PolarHBondContact O-NZ 3.18Å; G15-G66 VanDerWaalsContact O-CA 3.26Å; G15-G66 WeakPolarHBondContact O-CA 3.46Å; G15-V87 WeakPolarHBondContact CA-O 3.36Å
16	D	92.3	Very high	93.6	Very high	28 Å²	28	22.4 Å²	22.4	15%	0.15	13%	0.131	C	C	.	.			trans	-62.1	163.1	-175.3	-78.4	19.7	0	0	0	113.6	V19 K21 H98 W102	D16-V19 HydrophobicContact CB-CG1 3.74Å; D16-V19 VanDerWaalsContact O-CG2 3.23Å; D16-V19 WeakPolarHBondContact O-CG2 3.27Å; D16-K21 PolarHBondContact O-NZ 2.95Å; D16-H98 IonicContact OD1-CG 3.54Å; D16-H98 IonicContact OD1-ND1 3.56Å; D16-H98 PolarHBondContact OD1-ND1 3.3Å; D16-H98 IonicContact OD2-CE1 2.73Å; D16-H98 IonicContact OD2-CG 3.49Å; D16-H98 IonicContact OD2-ND1 2.73Å; D16-H98 PolarHBondContact OD2-ND1 3.32Å; D16-W102 PolarHBondContact OD1-NE1 3.05Å
17	S	90.5	Very high	94	Very high	52 Å²	52	21.2 Å²	21.2	36%	0.364	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	136.7	170.2	-171	0	0	0	0	110.2	V19 G66	S17-V19 VanDerWaalsContact C-N 3.34Å; S17-V19 PolarHBondContact O-N 3.23Å; S17-G66 PolarHBondContact N-O 3.19Å
18	G	91.3	Very high	94.2	Very high	26 Å²	26	20.4 Å²	20.4	27%	0.268	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	83	-3.1	176.5	0	0	0	0	0	116.7	G20 H37 K122	G18-G20 PolarHBondContact O-N 3.32Å; G18-H37 VanDerWaalsContact CA-NE2 3.34Å; G18-H37 WeakPolarHBondContact CA-NE2 3.39Å; G18-K122 WeakPolarHBondContact O-CE 3.42Å; G18-K122 PolarHBondContact O-NZ 2.89Å
19	V	94.9	Very high	94.3	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.012	11%	0.112	C	C	.	.	S	Bend	trans	-71.2	-15.2	176.1	-54.8	0	0	0	0	113.4	D16 S17 K21 V87 D89 N121	D16-V19 HydrophobicContact CB-CG1 3.74Å; D16-V19 VanDerWaalsContact O-CG2 3.23Å; D16-V19 WeakPolarHBondContact O-CG2 3.27Å; S17-V19 VanDerWaalsContact C-N 3.34Å; S17-V19 PolarHBondContact O-N 3.23Å; V19-K21 HydrophobicContact CG2-CD 4.43Å; V19-K21 HydrophobicContact CG2-CG 3.74Å; V19-V87 HydrophobicContact CB-CG1 4.4Å; V19-V87 HydrophobicContact CG2-CB 4.06Å; V19-V87 HydrophobicContact CG2-CG1 3.86Å; V19-D89 HydrophobicContact CB-CB 4.24Å; V19-D89 HydrophobicContact CG1-CB 4.19Å; V19-N121 PolarHBondContact O-ND2 2.79Å
20	G	94.3	Very high	94.1	Very high	11 Å²	11	22.3 Å²	22.3	11%	0.113	13%	0.128	C	C	.	.			trans	99.9	23.6	173.8	0	0	0	0	0	116	G18 T22 C23 L24	G18-G20 PolarHBondContact O-N 3.32Å; G20-T22 PolarHBondContact O-N 2.92Å; G20-C23 WeakPolarHBondContact O-CB 3.48Å; G20-C23 PolarHBondContact O-N 2.97Å; G20-C23 VanDerWaalsContact O-N 3.13Å; G20-L24 WeakPolarHBondContact O-CG 3.39Å; G20-L24 PolarHBondContact O-N 3.24Å
21	K	94.8	Very high	94	Very high	9 Å²	9	22.7 Å²	22.7	4%	0.039	14%	0.137	C	C	.	.	H	α-helix	trans	-51.7	-51.3	175.7	-60.2	-173.7	-59.7	-73.2	0	113	L13 G15 D16 V19 C23 L24 L25 D63 T64 V87	L13-K21 HydrophobicContact CB-CB 4.15Å; L13-K21 HydrophobicContact CB-CD 4.13Å; L13-K21 HydrophobicContact CB-CG 4.36Å; L13-K21 HydrophobicContact CD1-CB 4.44Å; G15-K21 PolarHBondContact O-NZ 3.18Å; D16-K21 PolarHBondContact O-NZ 2.95Å; V19-K21 HydrophobicContact CG2-CD 4.43Å; V19-K21 HydrophobicContact CG2-CG 3.74Å; K21-C23 VanDerWaalsContact C-N 3.32Å; K21-C23 PolarHBondContact O-N 2.85Å; K21-L24 WeakPolarHBondContact O-CB 3.45Å; K21-L24 PolarHBondContact O-N 3.45Å; K21-L25 PolarHBondContact O-N 3.32Å; K21-D63 VanDerWaalsContact CB-OD1 3.31Å; K21-D63 WeakPolarHBondContact CB-OD1 3.22Å; K21-T64 WeakPolarHBondContact CE-O 3.35Å; K21-V87 HydrophobicContact CG-CB 4.15Å; K21-V87 HydrophobicContact CG-CG2 4.23Å
22	T	93.4	Very high	93.7	Very high	50 Å²	50	27.2 Å²	27.2	31%	0.307	16%	0.158	S	C	.	.	H	α-helix	trans	-61.1	-41	176.9	-42.5	0	0	0	0	111.9	G20 L25 C26 T40 D63	G20-T22 PolarHBondContact O-N 2.92Å; T22-L25 PolarHBondContact O-N 3.4Å; T22-C26 PolarHBondContact O-N 3.47Å; T22-C26 PolarHBondContact O-SG 3.2Å; T22-C26 VanDerWaalsContact O-SG 3.33Å; T22-T40 PolarHBondContact OG1-OG1 3.34Å; T22-D63 WeakPolarHBondContact CA-OD2 3.48Å; T22-D63 VanDerWaalsContact CB-OD2 3.3Å; T22-D63 WeakPolarHBondContact CB-OD2 3.36Å; T22-D63 WeakPolarHBondContact CG2-OD2 3.36Å; T22-D63 PolarHBondContact OG1-OD2 3.19Å
23	C	94.4	Very high	93.4	Very high	35 Å²	35	30 Å²	30	24%	0.236	17%	0.171	C	C	.	.	H	α-helix	trans	-64.5	-41.5	177.1	-57.3	0	0	0	0	111.9	G20 K21 L25 R27 F33 A152	G20-C23 WeakPolarHBondContact O-CB 3.48Å; G20-C23 PolarHBondContact O-N 2.97Å; G20-C23 VanDerWaalsContact O-N 3.13Å; K21-C23 VanDerWaalsContact C-N 3.32Å; K21-C23 PolarHBondContact O-N 2.85Å; C23-L25 VanDerWaalsContact C-N 3.34Å; C23-R27 WeakPolarHBondContact O-CB 3.43Å; C23-R27 PolarHBondContact O-N 2.86Å; C23-F33 HydrophobicContact CB-CD2 4.28Å; C23-F33 HydrophobicContact CB-CE2 4.27Å; C23-A152 HydrophobicContact CB-CB 3.69Å
24	L	95.8	Very high	92.8	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.021	19%	0.193	C	C	.	.	H	α-helix	trans	-60.2	-45.5	173.4	-70	172.5	0	0	0	110.7	G20 K21 R27 F28 V87 V119 N121 A152 I158 F162	G20-L24 WeakPolarHBondContact O-CG 3.39Å; G20-L24 PolarHBondContact O-N 3.24Å; K21-L24 WeakPolarHBondContact O-CB 3.45Å; K21-L24 PolarHBondContact O-N 3.45Å; L24-R27 PolarHBondContact O-N 2.85Å; L24-F28 VanDerWaalsContact O-CB 3.3Å; L24-F28 WeakPolarHBondContact O-CB 3.45Å; L24-F28 PolarHBondContact O-N 2.97Å; L24-V87 HydrophobicContact CD1-CG1 3.71Å; L24-V87 HydrophobicContact CD1-CG2 4.08Å; L24-V119 HydrophobicContact CD1-CG1 4.24Å; L24-N121 HydrophobicContact CD1-CB 4.35Å; L24-A152 HydrophobicContact CD2-CB 4.13Å; L24-I158 HydrophobicContact CD2-CD1 3.24Å; L24-F162 HydrophobicContact CB-CE2 4.32Å; L24-F162 HydrophobicContact CB-CZ 4.42Å
25	L	95.3	Very high	91.9	Very high	3 Å²	3	40 Å²	40	2%	0.016	23%	0.226	C	C	.	.	H	α-helix	trans	-61.8	-53.7	179.2	-178.5	56.3	0	0	0	111.9	L13 K21 T22 C23 R27 F28 T29 K46 I61 D63	L13-L25 HydrophobicContact CD1-CB 3.85Å; L13-L25 HydrophobicContact CD1-CD2 4.44Å; K21-L25 PolarHBondContact O-N 3.32Å; T22-L25 PolarHBondContact O-N 3.4Å; C23-L25 VanDerWaalsContact C-N 3.34Å; L25-R27 VanDerWaalsContact C-N 3.28Å; L25-R27 PolarHBondContact O-N 3.48Å; L25-F28 PolarHBondContact O-N 3.39Å; L25-T29 HydrophobicContact CD1-CG2 3.85Å; L25-T29 WeakPolarHBondContact O-CG2 3.42Å; L25-T29 PolarHBondContact O-N 3.19Å; L25-T29 PolarHBondContact O-OG1 3.45Å; L25-K46 HydrophobicContact CD1-CB 4.1Å; L25-K46 HydrophobicContact CD2-CB 4.15Å; L25-K46 HydrophobicContact CD2-CD 4.41Å; L25-K46 HydrophobicContact CD2-CG 4.11Å; L25-K46 HydrophobicContact CG-CB 4.23Å; L25-K46 HydrophobicContact CG-CD 4.17Å; L25-K46 HydrophobicContact CG-CG 4.32Å; L25-I61 HydrophobicContact CD1-CB 3.67Å; L25-I61 HydrophobicContact CD1-CD1 3.61Å; L25-I61 HydrophobicContact CD1-CG1 4.28Å; L25-I61 HydrophobicContact CD1-CG2 3.69Å; L25-D63 HydrophobicContact CD2-CB 3.72Å
26	C	93.9	Very high	90.9	Very high	22 Å²	22	43.8 Å²	43.8	15%	0.149	25%	0.253	C	S	.	.	H	α-helix	trans	-61.6	-38.8	179.6	-65.8	0	0	0	0	111.6	T22 F28 T29 D30 N31	T22-C26 PolarHBondContact O-N 3.47Å; T22-C26 PolarHBondContact O-SG 3.2Å; T22-C26 VanDerWaalsContact O-SG 3.33Å; C26-F28 VanDerWaalsContact C-N 3.34Å; C26-F28 PolarHBondContact O-N 2.81Å; C26-T29 PolarHBondContact O-N 3.12Å; C26-D30 WeakPolarHBondContact O-CA 3.38Å; C26-D30 WeakPolarHBondContact O-CB 3.44Å; C26-D30 PolarHBondContact O-N 2.94Å; C26-N31 PolarHBondContact O-N 2.91Å
27	R	95.4	Very high	89.6	Confident	38 Å²	38	48 Å²	48	14%	0.143	27%	0.272	C	S	.	.	H	α-helix	trans	-64.5	-43.1	176.5	-178.1	61.7	79	-176.5	15.5	111.1	C23 L24 L25 N31 E32 F33 A152 F153 N155 I158	C23-R27 WeakPolarHBondContact O-CB 3.43Å; C23-R27 PolarHBondContact O-N 2.86Å; L24-R27 PolarHBondContact O-N 2.85Å; L25-R27 VanDerWaalsContact C-N 3.28Å; L25-R27 PolarHBondContact O-N 3.48Å; R27-N31 PolarHBondContact NH1-O 2.95Å; R27-N31 VanDerWaalsContact O-CA 3.22Å; R27-N31 WeakPolarHBondContact O-CA 3.39Å; R27-N31 PolarHBondContact O-N 2.8Å; R27-N31 VanDerWaalsContact O-N 3.15Å; R27-E32 WeakPolarHBondContact CA-O 3.25Å; R27-E32 PolarHBondContact N-O 3.38Å; R27-F33 VanDerWaalsContact CZ-CB 3.46Å; R27-A152 PolarHBondContact NE-O 3.36Å; R27-A152 PolarHBondContact NH2-O 2.55Å; R27-A152 VanDerWaalsContact NH2-O 3.17Å; R27-F153 PolarHBondContact NH2-O 3.41Å; R27-N155 WeakPolarHBondContact CD-OD1 3.46Å; R27-N155 HydrophobicContact CG-CB 4.24Å; R27-N155 WeakPolarHBondContact CG-OD1 3.4Å; R27-I158 HydrophobicContact CB-CG2 4.37Å; R27-I158 HydrophobicContact CG-CB 4.37Å; R27-I158 HydrophobicContact CG-CG1 3.89Å; R27-I158 HydrophobicContact CG-CG2 4.09Å
28	F	96.1	Very high	88.7	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.009	29%	0.288	C	S	.	.	H	α-helix	trans	-66.8	-42	178.5	175	-108.2	0	0	0	112.6	L24 L25 C26 K48 L50 I59 I61 I158 F162	L24-F28 VanDerWaalsContact O-CB 3.3Å; L24-F28 WeakPolarHBondContact O-CB 3.45Å; L24-F28 PolarHBondContact O-N 2.97Å; L25-F28 PolarHBondContact O-N 3.39Å; C26-F28 VanDerWaalsContact C-N 3.34Å; C26-F28 PolarHBondContact O-N 2.81Å; F28-K48 HydrophobicContact CD1-CD 4.22Å; F28-K48 HydrophobicContact CE1-CB 3.9Å; F28-K48 HydrophobicContact CE1-CD 3.73Å; F28-K48 HydrophobicContact CE1-CG 4.13Å; F28-K48 HydrophobicContact CE2-CD 4.42Å; F28-K48 HydrophobicContact CZ-CB 4.45Å; F28-K48 HydrophobicContact CZ-CD 3.85Å; F28-K48 HydrophobicContact CZ-CG 4.25Å; F28-K48 WeakPolarHBondContact O-CD 3.47Å; F28-K48 PolarHBondContact O-NZ 3.26Å; F28-L50 HydrophobicContact CE2-CD2 4.49Å; F28-L50 HydrophobicContact CZ-CD1 4.2Å; F28-L50 HydrophobicContact CZ-CD2 4Å; F28-L50 HydrophobicContact CZ-CG 4.44Å; F28-I59 HydrophobicContact CE1-CD1 3.39Å; F28-I59 HydrophobicContact CE1-CG1 4.41Å; F28-I59 HydrophobicContact CZ-CD1 3.52Å; F28-I61 HydrophobicContact CD1-CD1 3.67Å; F28-I61 HydrophobicContact CE1-CD1 3.69Å; F28-I158 HydrophobicContact CB-CG2 3.68Å; F28-I158 HydrophobicContact CD2-CG2 4.36Å; F28-F162 HydrophobicContact CB-CD2 3.92Å; F28-F162 HydrophobicContact CB-CE2 3.86Å; F28-F162 HydrophobicContact CB-CG 4.27Å; F28-F162 HydrophobicContact CB-CZ 4.19Å; F28-F162 HydrophobicContact CD1-CB 4.33Å; F28-F162 AromaticContact CD1-CD1 3.77Å; F28-F162 HydrophobicContact CD1-CD1 3.77Å; F28-F162 HydrophobicContact CD1-CD2 4.42Å; F28-F162 HydrophobicContact CD1-CE1 4.15Å; F28-F162 AromaticContact CD1-CG 3.92Å; F28-F162 HydrophobicContact CD1-CG 3.92Å; F28-F162 HydrophobicContact CD2-CB 3.59Å; F28-F162 HydrophobicContact CD2-CD1 4.39Å; F28-F162 AromaticContact CD2-CD2 3.86Å; F28-F162 HydrophobicContact CD2-CD2 3.86Å; F28-F162 AromaticContact CD2-CG 3.7Å; F28-F162 HydrophobicContact CD2-CG 3.7Å; F28-F162 HydrophobicContact CE1-CB 4.16Å; F28-F162 HydrophobicContact CE1-CD1 4.01Å; F28-F162 HydrophobicContact CE1-CG 4.18Å; F28-F162 HydrophobicContact CE2-CB 3.39Å; F28-F162 AromaticContact CE2-CG 3.98Å; F28-F162 HydrophobicContact CE2-CG 3.98Å; F28-F162 HydrophobicContact CG-CB 4.06Å; F28-F162 AromaticContact CG-CD1 3.97Å; F28-F162 HydrophobicContact CG-CD1 3.97Å; F28-F162 AromaticContact CG-CD2 3.79Å; F28-F162 HydrophobicContact CG-CD2 3.79Å; F28-F162 HydrophobicContact CG-CE1 4.36Å; F28-F162 HydrophobicContact CG-CE2 4.18Å; F28-F162 AromaticContact CG-CG 3.67Å; F28-F162 HydrophobicContact CG-CG 3.67Å; F28-F162 HydrophobicContact CG-CZ 4.44Å; F28-F162 HydrophobicContact CZ-CB 3.69Å; F28-F162 HydrophobicContact CZ-CD1 4.41Å; F28-F162 HydrophobicContact CZ-CG 4.2Å
29	T	94.1	Very high	88	Confident	22 Å²	22	53.3 Å²	53.3	14%	0.135	29%	0.292	C	S	.	.	H	α-helix	trans	-85.1	-46.7	-174.1	60.6	0	0	0	0	113	L25 C26 K46 K48	L25-T29 HydrophobicContact CD1-CG2 3.85Å; L25-T29 WeakPolarHBondContact O-CG2 3.42Å; L25-T29 PolarHBondContact O-N 3.19Å; L25-T29 PolarHBondContact O-OG1 3.45Å; C26-T29 PolarHBondContact O-N 3.12Å; T29-K46 HydrophobicContact CG2-CB 3.83Å; T29-K46 HydrophobicContact CG2-CD 4.14Å; T29-K46 WeakPolarHBondContact OG1-CD 3.26Å; T29-K48 HydrophobicContact CG2-CB 4.44Å
30	D	92.3	Very high	86.9	Confident	68 Å²	68	54.9 Å²	54.9	36%	0.364	30%	0.302	S	S	.	.	H	α-helix	trans	-110.6	-7.9	-166.4	-46	-23.6	0	0	0	112	C26 E32 K46	C26-D30 WeakPolarHBondContact O-CA 3.38Å; C26-D30 WeakPolarHBondContact O-CB 3.44Å; C26-D30 PolarHBondContact O-N 2.94Å; D30-E32 HydrophobicContact CB-CB 4.3Å; D30-E32 HydrophobicContact CB-CG 4.04Å; D30-E32 PolarHBondContact O-N 3.01Å; D30-K46 IonicContact OD1-NZ 2.67Å; D30-K46 WeakPolarHBondContact OD2-CE 3.41Å; D30-K46 IonicContact OD2-NZ 2.69Å; D30-K46 PolarHBondContact OD2-NZ 3.26Å
31	N	92.3	Very high	85.8	Confident	102 Å²	102	61.2 Å²	61.2	55%	0.545	33%	0.332	S	S	.	.	S	Bend	trans	58.6	28.1	-171	-163.6	31.7	0	0	0	113.2	C26 R27 N155	C26-N31 PolarHBondContact O-N 2.91Å; R27-N31 PolarHBondContact NH1-O 2.95Å; R27-N31 VanDerWaalsContact O-CA 3.22Å; R27-N31 WeakPolarHBondContact O-CA 3.39Å; R27-N31 PolarHBondContact O-N 2.8Å; R27-N31 VanDerWaalsContact O-N 3.15Å; N31-N155 PolarHBondContact OD1-ND2 3.32Å
32	E	89.9	Confident	84.7	Confident	95 Å²	95	61.5 Å²	61.5	44%	0.444	34%	0.338	S	S	.	.			trans	-107.1	153.4	-179.8	-67.3	-173.6	-179.3	0	0	112.3	R27 D30 H34	R27-E32 WeakPolarHBondContact CA-O 3.25Å; R27-E32 PolarHBondContact N-O 3.38Å; D30-E32 HydrophobicContact CB-CB 4.3Å; D30-E32 HydrophobicContact CB-CG 4.04Å; D30-E32 PolarHBondContact O-N 3.01Å; E32-H34 IonicContact OE2-CD2 2.77Å; E32-H34 IonicContact OE2-CE1 3.53Å; E32-H34 IonicContact OE2-NE2 3.93Å; E32-H34 PolarHBondContact OE2-NE2 3.15Å
33	F	87.7	Confident	84	Confident	61 Å²	61	60.8 Å²	60.8	27%	0.268	33%	0.333	S	S	.	.			trans	-137.6	126.1	168.8	173.3	-94	0	0	0	110.1	C23 R27 P35 A152 F153	C23-F33 HydrophobicContact CB-CD2 4.28Å; C23-F33 HydrophobicContact CB-CE2 4.27Å; R27-F33 VanDerWaalsContact CZ-CB 3.46Å; F33-P35 HydrophobicContact CE1-CB 3.86Å; F33-P35 HydrophobicContact CE1-CG 4.49Å; F33-P35 HydrophobicContact CZ-CB 4.5Å; F33-A152 HydrophobicContact CD2-CB 4.19Å; F33-A152 HydrophobicContact CE2-CB 4.35Å; F33-F153 AromaticContact CD1-CD2 3.92Å; F33-F153 HydrophobicContact CD1-CD2 3.92Å; F33-F153 AromaticContact CE1-CD2 3.55Å; F33-F153 HydrophobicContact CE1-CD2 3.55Å; F33-F153 HydrophobicContact CE1-CE2 4.26Å; F33-F153 HydrophobicContact CE2-CB 4.27Å; F33-F153 HydrophobicContact CZ-CB 4.2Å; F33-F153 AromaticContact CZ-CD2 3.97Å; F33-F153 HydrophobicContact CZ-CD2 3.97Å
34	H	82.9	Confident	83.5	Confident	101 Å²	101	63.1 Å²	63.1	47%	0.468	34%	0.343	S	S	.	.			trans	-111.3	111.6	178.4	-65.2	-71.5	0	0	0	108.3	E32 S36	E32-H34 IonicContact OE2-CD2 2.77Å; E32-H34 IonicContact OE2-CE1 3.53Å; E32-H34 IonicContact OE2-NE2 3.93Å; E32-H34 PolarHBondContact OE2-NE2 3.15Å; H34-S36 PolarHBondContact O-N 3.28Å
35	P	74.6	Confident	83.1	Confident	108 Å²	108	67.4 Å²	67.4	70%	0.701	36%	0.362	S	S	*	.			trans	-69.3	-21.6	-178.1	23.6	-30.2	0	0	0	112.8	F33 H37	F33-P35 HydrophobicContact CE1-CB 3.86Å; F33-P35 HydrophobicContact CE1-CG 4.49Å; F33-P35 HydrophobicContact CZ-CB 4.5Å; P35-H37 PolarHBondContact O-N 3.07Å; P35-H37 VanDerWaalsContact O-N 3.16Å
36	S	72.1	Confident	83	Confident	80 Å²	80	70 Å²	70	56%	0.559	37%	0.373	S	S	*	.	S	Bend	trans	-68.2	109.5	176	57.1	0	0	0	0	110.5	H34 I38	H34-S36 PolarHBondContact O-N 3.28Å; S36-I38 PolarHBondContact O-N 2.98Å; S36-I38 VanDerWaalsContact O-N 3.08Å
37	H	65.1	Low	83	Confident	118 Å²	118	72.3 Å²	72.3	55%	0.546	38%	0.382	S	S	.	.			trans	-74.7	98.2	175	-179.5	-82.4	0	0	0	110.4	G18 P35 S39	G18-H37 VanDerWaalsContact CA-NE2 3.34Å; G18-H37 WeakPolarHBondContact CA-NE2 3.39Å; P35-H37 PolarHBondContact O-N 3.07Å; P35-H37 VanDerWaalsContact O-N 3.16Å; H37-S39 PolarHBondContact CE1-OG 3.08Å
38	I	72.9	Confident	83	Confident	138 Å²	138	73.9 Å²	73.9	71%	0.708	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-94.4	123.1	164.8	-56.5	175.7	0	0	0	106.8	S36 T40	S36-I38 PolarHBondContact O-N 2.98Å; S36-I38 VanDerWaalsContact O-N 3.08Å; I38-T40 PolarHBondContact O-N 2.94Å
39	S	75.6	Confident	83	Confident	51 Å²	51	77.3 Å²	77.3	36%	0.357	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-66	127.5	178.3	-61.1	0	0	0	0	109.8	H37 I41	H37-S39 PolarHBondContact CE1-OG 3.08Å; S39-I41 PolarHBondContact O-N 3.42Å
40	T	72	Confident	83	Confident	35 Å²	35	77.3 Å²	77.3	22%	0.215	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-61.9	123.2	173.8	-46.6	0	0	0	0	109.8	T22 I38 D63 A65	T22-T40 PolarHBondContact OG1-OG1 3.34Å; I38-T40 PolarHBondContact O-N 2.94Å; T40-D63 PolarHBondContact OG1-OD2 3.41Å; T40-A65 VanDerWaalsContact O-CB 3.22Å; T40-A65 WeakPolarHBondContact O-CB 3.27Å
41	I	71.9	Confident	83.1	Confident	143 Å²	143	80 Å²	80	73%	0.733	42%	0.424	S	S	*	.			trans	-97.1	115.2	173.7	-59.3	176.3	0	0	0	107.3	S39	S39-I41 PolarHBondContact O-N 3.42Å
42	G	71.2	Confident	83.1	Confident	16 Å²	16	75.5 Å²	75.5	17%	0.165	40%	0.4	C	S	.	.	S	Bend	trans	78.6	-131.4	-179.3	0	0	0	0	0	113.1	A65	G42-A65 VanDerWaalsContact O-CB 3.3Å; G42-A65 WeakPolarHBondContact O-CB 3.43Å; G42-A65 PolarHBondContact O-N 2.89Å
43	V	78.8	Confident	83	Confident	34 Å²	34	77.7 Å²	77.7	21%	0.206	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	128.4	-177	-176	0	0	0	0	109	W62 D63 T64 I73 Y77	V43-W62 HydrophobicContact CG1-CB 4.32Å; V43-W62 HydrophobicContact CG1-CE3 3.62Å; V43-W62 HydrophobicContact CG1-CZ3 4.36Å; V43-D63 WeakPolarHBondContact CA-O 3.41Å; V43-D63 VanDerWaalsContact CG1-O 3.31Å; V43-D63 WeakPolarHBondContact CG1-O 3.49Å; V43-T64 HydrophobicContact CG1-CG2 4.46Å; V43-T64 HydrophobicContact CG2-CG2 4.45Å; V43-I73 HydrophobicContact CG2-CG2 3.98Å; V43-Y77 HydrophobicContact CB-CE2 4.03Å; V43-Y77 HydrophobicContact CG1-CE1 4.1Å; V43-Y77 HydrophobicContact CG1-CE2 4.07Å; V43-Y77 HydrophobicContact CG2-CD2 4.12Å; V43-Y77 HydrophobicContact CG2-CE2 3.51Å
44	D	84.5	Confident	83	Confident	85 Å²	85	77.7 Å²	77.7	46%	0.455	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	163.3	172.4	-165.3	10.9	0	0	0	109.6	W62 D63	D44-W62 CarbonylContact O-C 3.6Å; D44-W62 WeakPolarHBondContact O-CA 3.25Å; D44-D63 PolarHBondContact N-O 2.84Å; D44-D63 PolarHBondContact O-N 2.78Å
45	F	87.3	Confident	83.4	Confident	93 Å²	93	73.8 Å²	73.8	41%	0.408	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	145.8	172.5	76.5	-87.2	0	0	0	112.4	M47 Q60 I61 W62	F45-M47 HydrophobicContact CD2-CE 4.34Å; F45-M47 HydrophobicContact CD2-CG 4.38Å; F45-M47 HydrophobicContact CE2-CE 3.91Å; F45-M47 HydrophobicContact CE2-CG 4.43Å; F45-Q60 HydrophobicContact CD2-CG 4.06Å; F45-I61 WeakPolarHBondContact CA-O 3.48Å; F45-I61 WeakPolarHBondContact CB-O 3.3Å; F45-W62 HydrophobicContact CB-CD2 4.03Å; F45-W62 HydrophobicContact CB-CE3 3.8Å; F45-W62 HydrophobicContact CB-CG 4.5Å; F45-W62 HydrophobicContact CB-CZ3 4.17Å; F45-W62 HydrophobicContact CD1-CE3 4.4Å; F45-W62 HydrophobicContact CD1-CH2 4.21Å; F45-W62 AromaticContact CD1-CZ3 3.9Å; F45-W62 HydrophobicContact CD1-CZ3 3.9Å; F45-W62 HydrophobicContact CG-CE3 4.42Å; F45-W62 HydrophobicContact CG-CZ3 4.3Å
46	K	92.8	Very high	84.3	Confident	58 Å²	58	73.7 Å²	73.7	25%	0.252	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	160.5	167.7	-66.5	-170.1	177.5	-110.4	0	111	L25 T29 D30 I61	L25-K46 HydrophobicContact CD1-CB 4.1Å; L25-K46 HydrophobicContact CD2-CB 4.15Å; L25-K46 HydrophobicContact CD2-CD 4.41Å; L25-K46 HydrophobicContact CD2-CG 4.11Å; L25-K46 HydrophobicContact CG-CB 4.23Å; L25-K46 HydrophobicContact CG-CD 4.17Å; L25-K46 HydrophobicContact CG-CG 4.32Å; T29-K46 HydrophobicContact CG2-CB 3.83Å; T29-K46 HydrophobicContact CG2-CD 4.14Å; T29-K46 WeakPolarHBondContact OG1-CD 3.26Å; D30-K46 IonicContact OD1-NZ 2.67Å; D30-K46 WeakPolarHBondContact OD2-CE 3.41Å; D30-K46 IonicContact OD2-NZ 2.69Å; D30-K46 PolarHBondContact OD2-NZ 3.26Å; K46-I61 PolarHBondContact N-O 3.18Å; K46-I61 PolarHBondContact O-N 2.94Å
47	M	94.3	Very high	85.4	Confident	71 Å²	71	69.9 Å²	69.9	35%	0.35	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	144.4	177	-67.2	-173.8	176.8	0	0	110.9	F45 R58 I59 Q60	F45-M47 HydrophobicContact CD2-CE 4.34Å; F45-M47 HydrophobicContact CD2-CG 4.38Å; F45-M47 HydrophobicContact CE2-CE 3.91Å; F45-M47 HydrophobicContact CE2-CG 4.43Å; M47-R58 PolarHBondContact SD-NE 3.39Å; M47-R58 PolarHBondContact SD-NH2 2.84Å; M47-I59 VanDerWaalsContact CA-O 3.23Å; M47-I59 WeakPolarHBondContact CA-O 3.46Å; M47-Q60 HydrophobicContact CE-CB 4.11Å; M47-Q60 HydrophobicContact CE-CG 3.86Å; M47-Q60 VanDerWaalsContact CE-NE2 3.35Å; M47-Q60 HydrophobicContact CG-CB 4.25Å; M47-Q60 HydrophobicContact CG-CG 4.31Å
48	K	94.8	Very high	86.8	Confident	70 Å²	70	67.3 Å²	67.3	30%	0.304	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	149.6	170.1	-175	148.1	177.6	163.4	0	108.9	F28 T29 L50 I59	F28-K48 HydrophobicContact CD1-CD 4.22Å; F28-K48 HydrophobicContact CE1-CB 3.9Å; F28-K48 HydrophobicContact CE1-CD 3.73Å; F28-K48 HydrophobicContact CE1-CG 4.13Å; F28-K48 HydrophobicContact CE2-CD 4.42Å; F28-K48 HydrophobicContact CZ-CB 4.45Å; F28-K48 HydrophobicContact CZ-CD 3.85Å; F28-K48 HydrophobicContact CZ-CG 4.25Å; F28-K48 WeakPolarHBondContact O-CD 3.47Å; F28-K48 PolarHBondContact O-NZ 3.26Å; T29-K48 HydrophobicContact CG2-CB 4.44Å; K48-L50 HydrophobicContact CG-CD2 4.28Å; K48-I59 HydrophobicContact CB-CD1 4.36Å; K48-I59 HydrophobicContact CB-CG1 4.1Å; K48-I59 PolarHBondContact N-O 3.49Å; K48-I59 WeakPolarHBondContact O-CG1 3.28Å; K48-I59 PolarHBondContact O-N 3.17Å
49	T	95.4	Very high	87.9	Confident	74 Å²	74	60.8 Å²	60.8	45%	0.454	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127.5	172.5	-57.2	0	0	0	0	108.4	K56 V57	T49-K56 HydrophobicContact CG2-CB 4.37Å; T49-V57 CarbonylContact C-O 3.6Å; T49-V57 WeakPolarHBondContact CA-O 3.48Å
50	L	94.4	Very high	88.8	Confident	23 Å²	23	59.4 Å²	59.4	12%	0.12	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	153.4	174.5	-59.2	-178.1	0	0	0	109.4	F28 K48 I52 K56 V57 I59 A166	F28-L50 HydrophobicContact CE2-CD2 4.49Å; F28-L50 HydrophobicContact CZ-CD1 4.2Å; F28-L50 HydrophobicContact CZ-CD2 4Å; F28-L50 HydrophobicContact CZ-CG 4.44Å; K48-L50 HydrophobicContact CG-CD2 4.28Å; L50-I52 HydrophobicContact CB-CD1 4.26Å; L50-I52 HydrophobicContact CB-CG1 4.11Å; L50-I52 HydrophobicContact CD1-CD1 4.29Å; L50-K56 CarbonylContact O-C 3.46Å; L50-K56 WeakPolarHBondContact O-CA 3.4Å; L50-V57 PolarHBondContact N-O 2.94Å; L50-V57 PolarHBondContact O-N 3.36Å; L50-I59 HydrophobicContact CD1-CD1 3.72Å; L50-I59 HydrophobicContact CG-CD1 4Å; L50-A166 HydrophobicContact CD1-CB 4.22Å
51	L	93.9	Very high	89.9	Confident	125 Å²	125	57.7 Å²	57.7	65%	0.654	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.4	111	168.6	-174	69.1	0	0	0	107.5	I55 K56	L51-I55 WeakPolarHBondContact CA-O 3.35Å; L51-K56 HydrophobicContact CD1-CG 3.98Å
52	I	92.6	Very high	90.9	Very high	6 Å²	6	53.4 Å²	53.4	3%	0.031	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	118.9	-177.2	-57	177.3	0	0	0	107.3	L50 G54 I55 V57 A166 E167 L170	L50-I52 HydrophobicContact CB-CD1 4.26Å; L50-I52 HydrophobicContact CB-CG1 4.11Å; L50-I52 HydrophobicContact CD1-CD1 4.29Å; I52-G54 PolarHBondContact O-N 3.06Å; I52-G54 VanDerWaalsContact O-N 3.15Å; I52-I55 PolarHBondContact N-O 3.31Å; I52-I55 WeakPolarHBondContact O-CA 3.28Å; I52-I55 VanDerWaalsContact O-CB 3.28Å; I52-I55 WeakPolarHBondContact O-CB 3.43Å; I52-I55 PolarHBondContact O-N 3.1Å; I52-V57 HydrophobicContact CB-CG2 4.22Å; I52-V57 HydrophobicContact CD1-CB 4.37Å; I52-V57 HydrophobicContact CD1-CG2 4.14Å; I52-V57 HydrophobicContact CG1-CG2 4.33Å; I52-A166 HydrophobicContact CD1-CB 3.52Å; I52-E167 HydrophobicContact CD1-CG 4.35Å; I52-E167 HydrophobicContact CG2-CG 3.7Å; I52-L170 HydrophobicContact CB-CD2 4.2Å; I52-L170 HydrophobicContact CG2-CD2 3.76Å
53	D	88.6	Confident	91.8	Very high	142 Å²	142	52.7 Å²	52.7	76%	0.759	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	38.8	-176.6	-61.3	-23.7	0	0	0	113.9	I55	D53-I55 PolarHBondContact O-N 3.44Å
54	G	88.3	Confident	92	Very high	61 Å²	61	51 Å²	51	63%	0.629	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	0.1	-177	0	0	0	0	0	115.1	I52	I52-G54 PolarHBondContact O-N 3.06Å; I52-G54 VanDerWaalsContact O-N 3.15Å
55	I	90.7	Very high	91.7	Very high	18 Å²	18	47.1 Å²	47.1	9%	0.092	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	126.7	177.3	-49.8	-170.5	0	0	0	109.4	D6 V7 L51 I52 D53 V57 L170	D6-I55 HydrophobicContact CB-CG2 3.68Å; V7-I55 HydrophobicContact CG2-CG2 4.1Å; L51-I55 WeakPolarHBondContact CA-O 3.35Å; I52-I55 PolarHBondContact N-O 3.31Å; I52-I55 WeakPolarHBondContact O-CA 3.28Å; I52-I55 VanDerWaalsContact O-CB 3.28Å; I52-I55 WeakPolarHBondContact O-CB 3.43Å; I52-I55 PolarHBondContact O-N 3.1Å; D53-I55 PolarHBondContact O-N 3.44Å; I55-V57 HydrophobicContact CB-CG2 4.43Å; I55-V57 HydrophobicContact CG2-CG2 4.16Å; I55-V57 PolarHBondContact O-N 3.46Å; I55-L170 HydrophobicContact CD1-CD1 4.15Å; I55-L170 HydrophobicContact CD1-CD2 4.26Å
56	K	93.2	Very high	90.7	Very high	106 Å²	106	43.1 Å²	43.1	46%	0.461	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	97.9	173.4	-68.3	178.3	-176.6	173.2	0	109.5	D6 V7 T49 L50 L51	D6-K56 PolarHBondContact N-O 3.48Å; D6-K56 PolarHBondContact OD2-N 3.26Å; V7-K56 PolarHBondContact N-O 2.89Å; T49-K56 HydrophobicContact CG2-CB 4.37Å; L50-K56 CarbonylContact O-C 3.46Å; L50-K56 WeakPolarHBondContact O-CA 3.4Å; L51-K56 HydrophobicContact CD1-CG 3.98Å
57	V	94.6	Very high	89.2	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	110.5	179.8	-178.6	0	0	0	0	109.3	V7 F9 T49 L50 I52 I55 I59	V7-V57 HydrophobicContact CG2-CB 4.09Å; V7-V57 HydrophobicContact CG2-CG1 4.05Å; V7-V57 HydrophobicContact CG2-CG2 3.7Å; F9-V57 HydrophobicContact CD2-CG1 3.27Å; F9-V57 HydrophobicContact CE2-CB 4.49Å; F9-V57 HydrophobicContact CE2-CG1 3.39Å; F9-V57 HydrophobicContact CE2-CG2 4.26Å; F9-V57 HydrophobicContact CG-CG1 4.01Å; F9-V57 HydrophobicContact CZ-CG1 4.2Å; T49-V57 CarbonylContact C-O 3.6Å; T49-V57 WeakPolarHBondContact CA-O 3.48Å; L50-V57 PolarHBondContact N-O 2.94Å; L50-V57 PolarHBondContact O-N 3.36Å; I52-V57 HydrophobicContact CB-CG2 4.22Å; I52-V57 HydrophobicContact CD1-CB 4.37Å; I52-V57 HydrophobicContact CD1-CG2 4.14Å; I52-V57 HydrophobicContact CG1-CG2 4.33Å; I55-V57 HydrophobicContact CB-CG2 4.43Å; I55-V57 HydrophobicContact CG2-CG2 4.16Å; I55-V57 PolarHBondContact O-N 3.46Å; V57-I59 HydrophobicContact CG1-CG2 3.8Å
58	R	95.2	Very high	87.4	Confident	65 Å²	65	44.9 Å²	44.9	25%	0.245	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	121.8	168.2	-169.9	168.9	-176.7	159.5	2.3	108.4	Y5 V7 L8 F9 M47	Y5-R58 HydrophobicContact CD1-CB 4.01Å; Y5-R58 VanDerWaalsContact CD1-CD 3.42Å; Y5-R58 HydrophobicContact CD1-CG 4.37Å; Y5-R58 HydrophobicContact CD2-CB 3.91Å; Y5-R58 HydrophobicContact CG-CB 3.63Å; Y5-R58 HydrophobicContact CG-CG 4.47Å; V7-R58 PolarHBondContact O-N 3.23Å; L8-R58 CarbonylContact C-O 3.58Å; L8-R58 VanDerWaalsContact CA-O 3.25Å; L8-R58 WeakPolarHBondContact CA-O 3.47Å; L8-R58 HydrophobicContact CD1-CB 4.07Å; L8-R58 HydrophobicContact CD1-CG 3.96Å; L8-R58 WeakPolarHBondContact CD1-O 3.47Å; F9-R58 PolarHBondContact N-O 2.99Å; M47-R58 PolarHBondContact SD-NE 3.39Å; M47-R58 PolarHBondContact SD-NH2 2.84Å
59	I	95.2	Very high	85.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129.8	175.6	56	179	0	0	0	109.4	F9 L11 F28 M47 K48 L50 V57 I61 A166	F9-I59 HydrophobicContact CB-CG2 4.23Å; F9-I59 HydrophobicContact CD2-CG2 4.44Å; F9-I59 WeakPolarHBondContact O-CA 3.36Å; L11-I59 HydrophobicContact CD1-CB 4.18Å; L11-I59 HydrophobicContact CD1-CD1 4.48Å; L11-I59 HydrophobicContact CD1-CG2 4.21Å; F28-I59 HydrophobicContact CE1-CD1 3.39Å; F28-I59 HydrophobicContact CE1-CG1 4.41Å; F28-I59 HydrophobicContact CZ-CD1 3.52Å; M47-I59 VanDerWaalsContact CA-O 3.23Å; M47-I59 WeakPolarHBondContact CA-O 3.46Å; K48-I59 HydrophobicContact CB-CD1 4.36Å; K48-I59 HydrophobicContact CB-CG1 4.1Å; K48-I59 PolarHBondContact N-O 3.49Å; K48-I59 WeakPolarHBondContact O-CG1 3.28Å; K48-I59 PolarHBondContact O-N 3.17Å; L50-I59 HydrophobicContact CD1-CD1 3.72Å; L50-I59 HydrophobicContact CG-CD1 4Å; V57-I59 HydrophobicContact CG1-CG2 3.8Å; I59-I61 HydrophobicContact CD1-CD1 4.11Å; I59-I61 HydrophobicContact CG1-CD1 4.43Å; I59-A166 HydrophobicContact CG2-CB 4.22Å
60	Q	95.3	Very high	84	Confident	22 Å²	22	49.3 Å²	49.3	10%	0.103	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	113.5	170.3	-179.7	-179.9	44.2	0	0	107.4	L8 F9 R10 L11 F45 M47	L8-Q60 HydrophobicContact CD1-CB 4.26Å; F9-Q60 PolarHBondContact O-N 3.45Å; R10-Q60 CarbonylContact C-O 3.6Å; R10-Q60 WeakPolarHBondContact CA-O 3.44Å; L11-Q60 PolarHBondContact N-O 3.26Å; F45-Q60 HydrophobicContact CD2-CG 4.06Å; M47-Q60 HydrophobicContact CE-CB 4.11Å; M47-Q60 HydrophobicContact CE-CG 3.86Å; M47-Q60 VanDerWaalsContact CE-NE2 3.35Å; M47-Q60 HydrophobicContact CG-CB 4.25Å; M47-Q60 HydrophobicContact CG-CG 4.31Å
61	I	94.8	Very high	82.4	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122.2	-177	-54.7	153	0	0	0	108.3	L11 L13 L25 F28 F45 K46 I59 F162	L11-I61 HydrophobicContact CB-CG1 4.11Å; L11-I61 HydrophobicContact CD1-CG1 4.19Å; L11-I61 WeakPolarHBondContact O-CA 3.48Å; L13-I61 HydrophobicContact CD1-CG2 3.78Å; L13-I61 HydrophobicContact CG-CG2 3.89Å; L25-I61 HydrophobicContact CD1-CB 3.67Å; L25-I61 HydrophobicContact CD1-CD1 3.61Å; L25-I61 HydrophobicContact CD1-CG1 4.28Å; L25-I61 HydrophobicContact CD1-CG2 3.69Å; F28-I61 HydrophobicContact CD1-CD1 3.67Å; F28-I61 HydrophobicContact CE1-CD1 3.69Å; F45-I61 WeakPolarHBondContact CA-O 3.48Å; F45-I61 WeakPolarHBondContact CB-O 3.3Å; K46-I61 PolarHBondContact N-O 3.18Å; K46-I61 PolarHBondContact O-N 2.94Å; I59-I61 HydrophobicContact CD1-CD1 4.11Å; I59-I61 HydrophobicContact CG1-CD1 4.43Å; I61-F162 HydrophobicContact CD1-CD1 3.75Å; I61-F162 HydrophobicContact CD1-CE1 3.62Å; I61-F162 HydrophobicContact CG1-CD1 4.49Å; I61-F162 HydrophobicContact CG1-CE1 4.28Å; I61-F162 HydrophobicContact CG2-CE1 4.24Å
62	W	92.7	Very high	80.8	Confident	52 Å²	52	51 Å²	51	20%	0.197	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	118.6	176	-63.9	88.7	0	0	0	109.4	L11 L12 L13 V43 D44 F45 Y77	L11-W62 PolarHBondContact O-N 3.44Å; L12-W62 HydrophobicContact CD1-CB 3.57Å; L13-W62 PolarHBondContact N-O 2.84Å; V43-W62 HydrophobicContact CG1-CB 4.32Å; V43-W62 HydrophobicContact CG1-CE3 3.62Å; V43-W62 HydrophobicContact CG1-CZ3 4.36Å; D44-W62 CarbonylContact O-C 3.6Å; D44-W62 WeakPolarHBondContact O-CA 3.25Å; F45-W62 HydrophobicContact CB-CD2 4.03Å; F45-W62 HydrophobicContact CB-CE3 3.8Å; F45-W62 HydrophobicContact CB-CG 4.5Å; F45-W62 HydrophobicContact CB-CZ3 4.17Å; F45-W62 HydrophobicContact CD1-CE3 4.4Å; F45-W62 HydrophobicContact CD1-CH2 4.21Å; F45-W62 AromaticContact CD1-CZ3 3.9Å; F45-W62 HydrophobicContact CD1-CZ3 3.9Å; F45-W62 HydrophobicContact CG-CE3 4.42Å; F45-W62 HydrophobicContact CG-CZ3 4.3Å; W62-Y77 AromaticContact CD2-CD1 3.77Å; W62-Y77 HydrophobicContact CD2-CD1 3.77Å; W62-Y77 AromaticContact CD2-CE1 3.81Å; W62-Y77 HydrophobicContact CD2-CE1 3.81Å; W62-Y77 AromaticContact CE3-CD1 3.78Å; W62-Y77 HydrophobicContact CE3-CD1 3.78Å; W62-Y77 AromaticContact CE3-CE1 3.34Å; W62-Y77 HydrophobicContact CE3-CE1 3.34Å; W62-Y77 HydrophobicContact CG-CD1 4.2Å; W62-Y77 AromaticContact CH2-CE1 3.83Å; W62-Y77 HydrophobicContact CH2-CE1 3.83Å; W62-Y77 HydrophobicContact CZ2-CE1 4.26Å; W62-Y77 HydrophobicContact CZ3-CD1 4.19Å; W62-Y77 AromaticContact CZ3-CE1 3.36Å; W62-Y77 HydrophobicContact CZ3-CE1 3.36Å
63	D	89.9	Confident	79.3	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	122.7	170.9	-176.1	36.1	0	0	0	109.5	L13 K21 T22 L25 T40 V43 D44	L13-D63 HydrophobicContact CD1-CB 4.36Å; K21-D63 VanDerWaalsContact CB-OD1 3.31Å; K21-D63 WeakPolarHBondContact CB-OD1 3.22Å; T22-D63 WeakPolarHBondContact CA-OD2 3.48Å; T22-D63 VanDerWaalsContact CB-OD2 3.3Å; T22-D63 WeakPolarHBondContact CB-OD2 3.36Å; T22-D63 WeakPolarHBondContact CG2-OD2 3.36Å; T22-D63 PolarHBondContact OG1-OD2 3.19Å; L25-D63 HydrophobicContact CD2-CB 3.72Å; T40-D63 PolarHBondContact OG1-OD2 3.41Å; V43-D63 WeakPolarHBondContact CA-O 3.41Å; V43-D63 VanDerWaalsContact CG1-O 3.31Å; V43-D63 WeakPolarHBondContact CG1-O 3.49Å; D44-D63 PolarHBondContact N-O 2.84Å; D44-D63 PolarHBondContact O-N 2.78Å
64	T	84.1	Confident	78.3	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	144	-175.8	64.9	0	0	0	0	111.1	L12 L13 L14 K21 V43 G66 T74	L12-T64 HydrophobicContact CD1-CG2 3.43Å; L12-T64 VanDerWaalsContact CD1-CG2 3.43Å; L12-T64 HydrophobicContact CG-CG2 4.27Å; L13-T64 PolarHBondContact O-OG1 3.23Å; L14-T64 HydrophobicContact CD2-CG2 4.32Å; K21-T64 WeakPolarHBondContact CE-O 3.35Å; V43-T64 HydrophobicContact CG1-CG2 4.46Å; V43-T64 HydrophobicContact CG2-CG2 4.45Å; T64-G66 PolarHBondContact O-N 2.82Å; T64-T74 HydrophobicContact CG2-CG2 4.09Å
65	A	77.5	Confident	77.6	Confident	3 Å²	3	48.7 Å²	48.7	3%	0.025	22%	0.223	C	C	.	.			trans	-60.2	122.5	166.8	0	0	0	0	0	110	T40 G42 Q67 Y70	T40-A65 VanDerWaalsContact O-CB 3.22Å; T40-A65 WeakPolarHBondContact O-CB 3.27Å; G42-A65 VanDerWaalsContact O-CB 3.3Å; G42-A65 WeakPolarHBondContact O-CB 3.43Å; G42-A65 PolarHBondContact O-N 2.89Å; A65-Q67 PolarHBondContact O-N 2.77Å; A65-Y70 HydrophobicContact CB-CD2 3.48Å; A65-Y70 VanDerWaalsContact CB-CD2 3.48Å; A65-Y70 HydrophobicContact CB-CE2 4.14Å; A65-Y70 HydrophobicContact CB-CG 4.08Å
66	G	65.5	Low	77	Confident	9 Å²	9	52.5 Å²	52.5	9%	0.093	24%	0.241	C	C	.	.			trans	-79	10.3	178.1	0	0	0	0	0	114.5	G15 S17 T64	G15-G66 VanDerWaalsContact O-CA 3.26Å; G15-G66 WeakPolarHBondContact O-CA 3.46Å; S17-G66 PolarHBondContact N-O 3.19Å; T64-G66 PolarHBondContact O-N 2.82Å
67	Q	62.4	Low	76.6	Confident	43 Å²	43	49.3 Å²	49.3	20%	0.201	23%	0.226	C	C	.	.	S	Bend	trans	-88.4	134.1	176.1	-75.8	-173.7	11	0	0	110.5	A65 R69 Y70	A65-Q67 PolarHBondContact O-N 2.77Å; Q67-R69 PolarHBondContact O-N 3.5Å; Q67-R69 VanDerWaalsContact O-N 3.07Å; Q67-Y70 HydrophobicContact CB-CD2 3.97Å; Q67-Y70 HydrophobicContact CB-CE2 4.29Å; Q67-Y70 PolarHBondContact O-N 3.36Å
68	E	56.3	Low	76.1	Confident	122 Å²	122	49.5 Å²	49.5	57%	0.57	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-53.7	-29.3	178.4	62.7	-70	159	0	0	113.7	Y70 Q71	E68-Y70 PolarHBondContact O-N 3.01Å; E68-Y70 VanDerWaalsContact O-N 3.11Å; E68-Q71 WeakPolarHBondContact O-CB 3.5Å; E68-Q71 VanDerWaalsContact O-CG 3.32Å; E68-Q71 WeakPolarHBondContact O-CG 3.44Å; E68-Q71 PolarHBondContact O-N 3.41Å
69	R	58.4	Low	75.7	Confident	180 Å²	180	55.7 Å²	55.7	68%	0.679	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-62.3	-16.7	176.7	-62.7	-172.7	-65.5	176.2	0.5	113.9	Q67	Q67-R69 PolarHBondContact O-N 3.5Å; Q67-R69 VanDerWaalsContact O-N 3.07Å
70	Y	59.8	Low	75.3	Confident	58 Å²	58	63.5 Å²	63.5	23%	0.227	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-107.8	11.5	179.7	-57.2	-65.3	0	0	0	113.9	A65 Q67 E68 T72 I73 T74	A65-Y70 HydrophobicContact CB-CD2 3.48Å; A65-Y70 VanDerWaalsContact CB-CD2 3.48Å; A65-Y70 HydrophobicContact CB-CE2 4.14Å; A65-Y70 HydrophobicContact CB-CG 4.08Å; Q67-Y70 HydrophobicContact CB-CD2 3.97Å; Q67-Y70 HydrophobicContact CB-CE2 4.29Å; Q67-Y70 PolarHBondContact O-N 3.36Å; E68-Y70 PolarHBondContact O-N 3.01Å; E68-Y70 VanDerWaalsContact O-N 3.11Å; Y70-T72 VanDerWaalsContact C-N 3.27Å; Y70-T72 PolarHBondContact O-N 2.92Å; Y70-I73 HydrophobicContact CD1-CD1 3.91Å; Y70-I73 PolarHBondContact O-N 3.28Å; Y70-T74 PolarHBondContact O-N 3.14Å; Y70-T74 PolarHBondContact O-OG1 2.75Å
71	Q	61.5	Low	75.2	Confident	62 Å²	62	62.7 Å²	62.7	29%	0.29	28%	0.277	S	S	.	.	H	α-helix	trans	-54.3	-39.7	179.4	-81.4	169.1	11.6	0	0	112.9	E68 I73 T74 K75	E68-Q71 WeakPolarHBondContact O-CB 3.5Å; E68-Q71 VanDerWaalsContact O-CG 3.32Å; E68-Q71 WeakPolarHBondContact O-CG 3.44Å; E68-Q71 PolarHBondContact O-N 3.41Å; Q71-I73 VanDerWaalsContact C-N 3.34Å; Q71-I73 PolarHBondContact O-N 2.94Å; Q71-T74 WeakPolarHBondContact O-CB 3.31Å; Q71-T74 PolarHBondContact O-N 3.44Å; Q71-T74 VanDerWaalsContact O-N 3.12Å; Q71-K75 PolarHBondContact O-N 3.35Å
72	T	60.1	Low	75.2	Confident	122 Å²	122	65 Å²	65	75%	0.748	29%	0.287	S	S	*	.	H	α-helix	trans	-62.9	-37.7	177.3	-50.4	0	0	0	0	112.8	Y70 T74	Y70-T72 VanDerWaalsContact C-N 3.27Å; Y70-T72 PolarHBondContact O-N 2.92Å; T72-T74 VanDerWaalsContact C-N 3.25Å; T72-T74 PolarHBondContact O-N 3.28Å
73	I	60.4	Low	75.4	Confident	66 Å²	66	62.5 Å²	62.5	34%	0.338	28%	0.278	S	S	.	.	H	α-helix	trans	-69.8	-28.2	177.6	-60.7	-179	0	0	0	110.5	V43 Y70 Q71 Q76 Y77	V43-I73 HydrophobicContact CG2-CG2 3.98Å; Y70-I73 HydrophobicContact CD1-CD1 3.91Å; Y70-I73 PolarHBondContact O-N 3.28Å; Q71-I73 VanDerWaalsContact C-N 3.34Å; Q71-I73 PolarHBondContact O-N 2.94Å; I73-Q76 WeakPolarHBondContact O-CG 3.4Å; I73-Q76 PolarHBondContact O-NE2 3.21Å; I73-Y77 HydrophobicContact CG2-CE2 4.12Å; I73-Y77 WeakPolarHBondContact O-CD2 3.39Å; I73-Y77 WeakPolarHBondContact O-CE2 3.42Å
74	T	67.9	Low	75.7	Confident	4 Å²	4	62.4 Å²	62.4	3%	0.025	28%	0.278	C	S	.	.	H	α-helix	trans	-73.9	-34.6	-177.6	-46.8	0	0	0	0	111.5	L14 T64 Y70 Q71 T72 Q76 Y77 Y78	L14-T74 HydrophobicContact CD2-CG2 3.71Å; T64-T74 HydrophobicContact CG2-CG2 4.09Å; Y70-T74 PolarHBondContact O-N 3.14Å; Y70-T74 PolarHBondContact O-OG1 2.75Å; Q71-T74 WeakPolarHBondContact O-CB 3.31Å; Q71-T74 PolarHBondContact O-N 3.44Å; Q71-T74 VanDerWaalsContact O-N 3.12Å; T72-T74 VanDerWaalsContact C-N 3.25Å; T72-T74 PolarHBondContact O-N 3.28Å; T74-Q76 VanDerWaalsContact C-N 3.3Å; T74-Q76 PolarHBondContact O-N 3.39Å; T74-Q76 VanDerWaalsContact O-N 3.15Å; T74-Y77 WeakPolarHBondContact O-CB 3.33Å; T74-Y77 PolarHBondContact O-N 2.86Å; T74-Y78 HydrophobicContact CG2-CD2 4.25Å; T74-Y78 HydrophobicContact CG2-CE2 3.45Å; T74-Y78 VanDerWaalsContact CG2-CE2 3.45Å; T74-Y78 WeakPolarHBondContact O-CD2 3.45Å
75	K	74.3	Confident	76.4	Confident	89 Å²	89	62.5 Å²	62.5	39%	0.387	28%	0.278	S	S	.	.	H	α-helix	trans	-53.6	-37.2	-176.2	-68.6	-166.9	-176.4	-167	0	114.8	Q71 Y77 Y109	Q71-K75 PolarHBondContact O-N 3.35Å; K75-Y77 VanDerWaalsContact C-N 3.27Å; K75-Y77 PolarHBondContact O-N 3.4Å; K75-Y109 HydrophobicContact CD-CE1 4.26Å; K75-Y109 HydrophobicContact CD-CE2 4.09Å; K75-Y109 HydrophobicContact CG-CD2 4.39Å; K75-Y109 HydrophobicContact CG-CE2 4.36Å; K75-Y109 PolarHBondContact NZ-OH 2.96Å
76	Q	78.5	Confident	77.3	Confident	99 Å²	99	62.4 Å²	62.4	46%	0.463	28%	0.277	S	S	.	.	H	α-helix	trans	-68.3	-23.3	178.1	53.9	174.6	-11.5	0	0	113.8	I73 T74	I73-Q76 WeakPolarHBondContact O-CG 3.4Å; I73-Q76 PolarHBondContact O-NE2 3.21Å; T74-Q76 VanDerWaalsContact C-N 3.3Å; T74-Q76 PolarHBondContact O-N 3.39Å; T74-Q76 VanDerWaalsContact O-N 3.15Å
77	Y	83.4	Confident	78.9	Confident	39 Å²	39	62 Å²	62	15%	0.153	27%	0.272	C	S	.	.	H	α-helix	trans	-83.5	-30.6	-178.8	-63.5	-79.3	0	0	0	112.3	V43 W62 I73 T74 K75 R79 R80 A81	V43-Y77 HydrophobicContact CB-CE2 4.03Å; V43-Y77 HydrophobicContact CG1-CE1 4.1Å; V43-Y77 HydrophobicContact CG1-CE2 4.07Å; V43-Y77 HydrophobicContact CG2-CD2 4.12Å; V43-Y77 HydrophobicContact CG2-CE2 3.51Å; W62-Y77 AromaticContact CD2-CD1 3.77Å; W62-Y77 HydrophobicContact CD2-CD1 3.77Å; W62-Y77 AromaticContact CD2-CE1 3.81Å; W62-Y77 HydrophobicContact CD2-CE1 3.81Å; W62-Y77 AromaticContact CE3-CD1 3.78Å; W62-Y77 HydrophobicContact CE3-CD1 3.78Å; W62-Y77 AromaticContact CE3-CE1 3.34Å; W62-Y77 HydrophobicContact CE3-CE1 3.34Å; W62-Y77 HydrophobicContact CG-CD1 4.2Å; W62-Y77 AromaticContact CH2-CE1 3.83Å; W62-Y77 HydrophobicContact CH2-CE1 3.83Å; W62-Y77 HydrophobicContact CZ2-CE1 4.26Å; W62-Y77 HydrophobicContact CZ3-CD1 4.19Å; W62-Y77 AromaticContact CZ3-CE1 3.36Å; W62-Y77 HydrophobicContact CZ3-CE1 3.36Å; I73-Y77 HydrophobicContact CG2-CE2 4.12Å; I73-Y77 WeakPolarHBondContact O-CD2 3.39Å; I73-Y77 WeakPolarHBondContact O-CE2 3.42Å; T74-Y77 WeakPolarHBondContact O-CB 3.33Å; T74-Y77 PolarHBondContact O-N 2.86Å; K75-Y77 VanDerWaalsContact C-N 3.27Å; K75-Y77 PolarHBondContact O-N 3.4Å; Y77-R79 VanDerWaalsContact C-N 3.33Å; Y77-R79 PolarHBondContact O-N 3.37Å; Y77-R80 PolarHBondContact O-N 2.88Å; Y77-A81 PolarHBondContact O-N 2.87Å
78	Y	85.7	Confident	80.6	Confident	4 Å²	4	59.9 Å²	59.9	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-54.8	-46.8	175.9	-70.8	-93.7	0	0	0	112.2	L14 T74 R80 A81 I84 D105 V106 A110 P111	L14-Y78 HydrophobicContact CD1-CD1 4.29Å; L14-Y78 HydrophobicContact CD1-CE1 3.37Å; T74-Y78 HydrophobicContact CG2-CD2 4.25Å; T74-Y78 HydrophobicContact CG2-CE2 3.45Å; T74-Y78 VanDerWaalsContact CG2-CE2 3.45Å; T74-Y78 WeakPolarHBondContact O-CD2 3.45Å; Y78-R80 PolarHBondContact O-N 3.44Å; Y78-A81 WeakPolarHBondContact O-CB 3.32Å; Y78-A81 PolarHBondContact O-N 3.06Å; Y78-I84 HydrophobicContact CD1-CD1 4.31Å; Y78-D105 HydrophobicContact CE1-CB 4.36Å; Y78-V106 HydrophobicContact CD1-CG2 4.1Å; Y78-V106 HydrophobicContact CE1-CB 4.42Å; Y78-V106 HydrophobicContact CE1-CG2 3.68Å; Y78-A110 HydrophobicContact CD1-CB 4.48Å; Y78-P111 WeakPolarHBondContact O-CD 3.38Å
79	R	85.4	Confident	82.6	Confident	194 Å²	194	54.7 Å²	54.7	73%	0.732	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.2	-177.1	-66.2	-175.6	-177.1	177.6	-0	114.5	Y77	Y77-R79 VanDerWaalsContact C-N 3.33Å; Y77-R79 PolarHBondContact O-N 3.37Å
80	R	86.8	Confident	84.5	Confident	164 Å²	164	46.1 Å²	46.1	62%	0.619	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-5.3	-178.6	-65.8	-177.5	176.6	146	-1.6	112.8	R10 Y77 Y78	R10-R80 WeakPolarHBondContact CB-O 3.4Å; Y77-R80 PolarHBondContact O-N 2.88Å; Y78-R80 PolarHBondContact O-N 3.44Å
81	A	93.2	Very high	86.3	Confident	5 Å²	5	44.5 Å²	44.5	4%	0.041	20%	0.203	C	C	.	.			trans	-73.9	133.5	-179.5	0	0	0	0	0	110.1	L12 Y77 Y78 I84 V114	L12-A81 HydrophobicContact CB-CB 4.23Å; Y77-A81 PolarHBondContact O-N 2.87Å; Y78-A81 WeakPolarHBondContact O-CB 3.32Å; Y78-A81 PolarHBondContact O-N 3.06Å; A81-I84 HydrophobicContact CB-CD1 3.97Å; A81-I84 HydrophobicContact CB-CG1 3.79Å; A81-V114 HydrophobicContact CB-CG2 4.36Å
82	Q	95.5	Very high	88.1	Confident	48 Å²	48	43.3 Å²	43.3	22%	0.224	20%	0.201	C	C	.	.	S	Bend	trans	-102.4	-27.4	171.1	-66.2	166.6	-82	0	0	110.7	F9 R10 Q115 V169	F9-Q82 VanDerWaalsContact CA-OE1 3.31Å; R10-Q82 PolarHBondContact O-N 2.81Å; Q82-Q115 PolarHBondContact O-N 2.73Å; Q82-V169 HydrophobicContact CB-CG1 3.76Å; Q82-V169 HydrophobicContact CB-CG2 4.43Å; Q82-V169 WeakPolarHBondContact O-CG2 3.4Å
83	G	97	Very high	89.9	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	148.1	170.2	0	0	0	0	0	111.5	R10 L11 L12 Q115	R10-G83 PolarHBondContact O-N 2.87Å; L11-G83 CarbonylContact C-O 3.38Å; L11-G83 VanDerWaalsContact CA-O 3.25Å; L11-G83 WeakPolarHBondContact CA-O 3.37Å; L12-G83 PolarHBondContact N-O 2.8Å; G83-Q115 CarbonylContact C-O 3.51Å; G83-Q115 VanDerWaalsContact CA-O 3.25Å; G83-Q115 WeakPolarHBondContact CA-O 3.33Å
84	I	96.8	Very high	91.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	133.4	-179	-60.6	-177.8	0	0	0	109.6	L12 L14 Y78 A81 L86 V106 A110 V114 Q115 K116 I117	L12-I84 HydrophobicContact CB-CG1 4.18Å; L12-I84 WeakPolarHBondContact O-CA 3.28Å; L14-I84 HydrophobicContact CD1-CG2 3.63Å; L14-I84 HydrophobicContact CG-CG2 4.04Å; Y78-I84 HydrophobicContact CD1-CD1 4.31Å; A81-I84 HydrophobicContact CB-CD1 3.97Å; A81-I84 HydrophobicContact CB-CG1 3.79Å; I84-L86 HydrophobicContact CG2-CD2 4.13Å; I84-V106 HydrophobicContact CD1-CB 4.4Å; I84-V106 HydrophobicContact CD1-CG1 3.71Å; I84-V106 HydrophobicContact CD1-CG2 3.8Å; I84-V106 HydrophobicContact CG2-CG2 4.11Å; I84-A110 HydrophobicContact CD1-CB 4.15Å; I84-V114 HydrophobicContact CD1-CG2 3.81Å; I84-V114 HydrophobicContact CG1-CG2 3.71Å; I84-Q115 PolarHBondContact N-O 2.73Å; I84-K116 WeakPolarHBondContact O-CA 3.18Å; I84-I117 PolarHBondContact O-N 3.22Å
85	F	97.9	Very high	93	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.009	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	129.3	165.8	-56.6	-81.8	0	0	0	109.3	L11 L12 L13 L14 V87 I117 V119 T161 F162 L165	L11-F85 HydrophobicContact CB-CE2 4.27Å; L11-F85 HydrophobicContact CD1-CE2 4.12Å; L11-F85 HydrophobicContact CD1-CZ 4.38Å; L12-F85 PolarHBondContact O-N 3.43Å; L13-F85 HydrophobicContact CD2-CB 3.87Å; L13-F85 HydrophobicContact CD2-CD2 3.56Å; L13-F85 HydrophobicContact CD2-CE2 4.38Å; L13-F85 HydrophobicContact CD2-CG 3.95Å; L13-F85 HydrophobicContact CG-CD2 4.31Å; L14-F85 PolarHBondContact N-O 3.11Å; F85-V87 HydrophobicContact CB-CG2 4.14Å; F85-I117 WeakPolarHBondContact CA-O 3.44Å; F85-I117 HydrophobicContact CD1-CB 4.24Å; F85-V119 HydrophobicContact CB-CG2 4.44Å; F85-V119 HydrophobicContact CD1-CG2 4.08Å; F85-T161 HydrophobicContact CD1-CG2 4.17Å; F85-T161 HydrophobicContact CE1-CG2 3.93Å; F85-F162 HydrophobicContact CD2-CE1 4.33Å; F85-F162 AromaticContact CE2-CD1 3.68Å; F85-F162 HydrophobicContact CE2-CD1 3.68Å; F85-F162 AromaticContact CE2-CE1 3.6Å; F85-F162 HydrophobicContact CE2-CE1 3.6Å; F85-F162 HydrophobicContact CE2-CG 4.48Å; F85-F162 HydrophobicContact CE2-CZ 4.36Å; F85-F162 HydrophobicContact CZ-CB 4.4Å; F85-F162 AromaticContact CZ-CD1 3.54Å; F85-F162 HydrophobicContact CZ-CD1 3.54Å; F85-F162 AromaticContact CZ-CE1 3.89Å; F85-F162 HydrophobicContact CZ-CE1 3.89Å; F85-F162 AromaticContact CZ-CG 3.93Å; F85-F162 HydrophobicContact CZ-CG 3.93Å; F85-L165 HydrophobicContact CD1-CD2 3.92Å; F85-L165 HydrophobicContact CD2-CD2 3.81Å; F85-L165 HydrophobicContact CE1-CB 3.71Å; F85-L165 HydrophobicContact CE1-CD2 3.51Å; F85-L165 HydrophobicContact CE1-CG 4.25Å; F85-L165 HydrophobicContact CE2-CD2 3.4Å; F85-L165 VanDerWaalsContact CE2-CD2 3.4Å; F85-L165 HydrophobicContact CG-CD2 4.06Å; F85-L165 HydrophobicContact CZ-CB 3.7Å; F85-L165 HydrophobicContact CZ-CD2 3.23Å; F85-L165 HydrophobicContact CZ-CG 4.09Å
86	L	97.2	Very high	94.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	111.7	168.5	-63.9	-176.2	0	0	0	108.1	L14 I84 I99 W102 A103 V106 I117 L118 V119 M145	L14-L86 HydrophobicContact CB-CD2 3.96Å; L14-L86 HydrophobicContact CD1-CD2 4.14Å; I84-L86 HydrophobicContact CG2-CD2 4.13Å; L86-I99 HydrophobicContact CB-CD1 4.27Å; L86-I99 HydrophobicContact CB-CG2 4.44Å; L86-I99 HydrophobicContact CD1-CG2 4.15Å; L86-W102 HydrophobicContact CD2-CB 3.85Å; L86-A103 HydrophobicContact CD1-CB 4.02Å; L86-V106 HydrophobicContact CD2-CG2 4.26Å; L86-I117 PolarHBondContact N-O 2.98Å; L86-L118 HydrophobicContact CB-CD1 4.07Å; L86-V119 PolarHBondContact O-N 2.99Å; L86-M145 HydrophobicContact CD1-CE 3.52Å; L86-M145 HydrophobicContact CD1-SD 3.7Å; L86-M145 HydrophobicContact CG-SD 4.5Å
87	V	98.1	Very high	95	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127.4	-171.4	-169.7	0	0	0	0	110.3	L13 L14 G15 V19 K21 L24 F85 V119 N121	L13-V87 HydrophobicContact CD2-CG2 4.37Å; L14-V87 PolarHBondContact O-N 3.32Å; G15-V87 WeakPolarHBondContact CA-O 3.36Å; V19-V87 HydrophobicContact CB-CG1 4.4Å; V19-V87 HydrophobicContact CG2-CB 4.06Å; V19-V87 HydrophobicContact CG2-CG1 3.86Å; K21-V87 HydrophobicContact CG-CB 4.15Å; K21-V87 HydrophobicContact CG-CG2 4.23Å; L24-V87 HydrophobicContact CD1-CG1 3.71Å; L24-V87 HydrophobicContact CD1-CG2 4.08Å; F85-V87 HydrophobicContact CB-CG2 4.14Å; V87-V119 WeakPolarHBondContact CA-O 3.33Å; V87-V119 HydrophobicContact CG1-CB 4.47Å; V87-V119 HydrophobicContact CG1-CG1 4.48Å; V87-V119 HydrophobicContact CG2-CB 4.26Å; V87-N121 HydrophobicContact CG1-CB 4.04Å
88	Y	98.3	Very high	95.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	168	166.5	71.9	-84.6	0	0	0	110.8	I90 F96 I99 L118 V119 N121 V131 F147	Y88-I90 HydrophobicContact CE2-CG2 3.94Å; Y88-F96 AromaticContact CD1-CD2 3.95Å; Y88-F96 HydrophobicContact CD1-CD2 3.95Å; Y88-F96 HydrophobicContact CD2-CB 3.83Å; Y88-F96 AromaticContact CD2-CD2 3.86Å; Y88-F96 HydrophobicContact CD2-CD2 3.86Å; Y88-F96 HydrophobicContact CD2-CG 4.3Å; Y88-F96 AromaticContact CE1-CD2 3.81Å; Y88-F96 HydrophobicContact CE1-CD2 3.81Å; Y88-F96 HydrophobicContact CE1-CE2 4.18Å; Y88-F96 HydrophobicContact CE2-CB 4.3Å; Y88-F96 AromaticContact CE2-CD2 3.73Å; Y88-F96 HydrophobicContact CE2-CD2 3.73Å; Y88-F96 HydrophobicContact CE2-CG 4.37Å; Y88-F96 HydrophobicContact CG-CB 4.19Å; Y88-F96 AromaticContact CG-CD2 3.97Å; Y88-F96 HydrophobicContact CG-CD2 3.97Å; Y88-F96 AromaticContact CZ-CD2 3.7Å; Y88-I99 HydrophobicContact CD1-CG1 4.16Å; Y88-I99 HydrophobicContact CG-CG1 4.38Å; Y88-L118 HydrophobicContact CD1-CD1 3.9Å; Y88-L118 HydrophobicContact CD1-CG 4.4Å; Y88-L118 HydrophobicContact CE1-CD1 4.03Å; Y88-L118 HydrophobicContact CE1-CD2 4.23Å; Y88-L118 HydrophobicContact CE1-CG 4.03Å; Y88-V119 VanDerWaalsContact CD1-O 3.32Å; Y88-V119 WeakPolarHBondContact CD1-O 3.32Å; Y88-V119 PolarHBondContact N-O 3.36Å; Y88-N121 PolarHBondContact O-N 2.84Å; Y88-V131 HydrophobicContact CE2-CB 4.01Å; Y88-V131 HydrophobicContact CE2-CG1 3.79Å; Y88-V131 HydrophobicContact CE2-CG2 4.27Å; Y88-F147 AromaticContact CE1-CE2 3.98Å; Y88-F147 HydrophobicContact CE1-CE2 3.98Å; Y88-F147 WeakPolarHBondContact OH-CE2 3.35Å; Y88-F147 WeakPolarHBondContact OH-CZ 3.37Å
89	D	98.2	Very high	96	Very high	12 Å²	12	43.4 Å²	43.4	6%	0.064	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	123.2	175	177.4	-9.2	0	0	0	109.1	V19 T91 S92 S95 K122	V19-D89 HydrophobicContact CB-CB 4.24Å; V19-D89 HydrophobicContact CG1-CB 4.19Å; D89-T91 PolarHBondContact O-N 3.04Å; D89-T91 VanDerWaalsContact O-N 3.11Å; D89-T91 WeakPolarHBondContact OD1-CB 3.25Å; D89-T91 PolarHBondContact OD1-N 3.36Å; D89-T91 PolarHBondContact OD1-OG1 2.85Å; D89-T91 PolarHBondContact OD2-OG1 3.47Å; D89-S92 PolarHBondContact O-N 2.96Å; D89-S95 PolarHBondContact N-OG 2.97Å; D89-S95 PolarHBondContact O-OG 3.37Å; D89-K122 WeakPolarHBondContact OD1-CD 3.29Å; D89-K122 WeakPolarHBondContact OD2-CD 3.17Å; D89-K122 WeakPolarHBondContact OD2-CE 3.48Å; D89-K122 IonicContact OD2-NZ 3.88Å; D89-K122 PolarHBondContact OD2-NZ 3.26Å
90	I	98.6	Very high	96.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-19	-178.8	65.2	148.7	0	0	0	113.2	Y88 S92 N121 K122 R129 Q130 V131	Y88-I90 HydrophobicContact CE2-CG2 3.94Å; I90-S92 VanDerWaalsContact C-N 3.31Å; I90-N121 WeakPolarHBondContact CG1-O 3.46Å; I90-N121 PolarHBondContact N-O 2.91Å; I90-K122 WeakPolarHBondContact CD1-O 3.18Å; I90-K122 WeakPolarHBondContact CG1-O 3.33Å; I90-R129 HydrophobicContact CD1-CB 4.28Å; I90-R129 HydrophobicContact CD1-CG 4.23Å; I90-R129 VanDerWaalsContact CD1-CZ 3.42Å; I90-Q130 PolarHBondContact O-N 3.01Å; I90-V131 PolarHBondContact O-N 2.84Å
91	T	98.2	Very high	96.7	Very high	25 Å²	25	35.8 Å²	35.8	15%	0.153	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	4.5	176.9	72.6	0	0	0	0	112.9	D89 D125 K128 Q130	D89-T91 PolarHBondContact O-N 3.04Å; D89-T91 VanDerWaalsContact O-N 3.11Å; D89-T91 WeakPolarHBondContact OD1-CB 3.25Å; D89-T91 PolarHBondContact OD1-N 3.36Å; D89-T91 PolarHBondContact OD1-OG1 2.85Å; D89-T91 PolarHBondContact OD2-OG1 3.47Å; T91-D125 HydrophobicContact CG2-CB 3.83Å; T91-K128 WeakPolarHBondContact CA-O 3.42Å; T91-K128 WeakPolarHBondContact CB-O 3.42Å; T91-K128 HydrophobicContact CG2-CB 3.87Å; T91-Q130 PolarHBondContact O-NE2 2.87Å; T91-Q130 PolarHBondContact O-OE1 2.8Å
92	S	97.9	Very high	96.6	Very high	37 Å²	37	36.1 Å²	36.1	26%	0.259	17%	0.166	S	C	.	.			trans	-136.7	97.9	-178.3	177.1	0	0	0	0	111.3	D89 I90 R94 S95 F96	D89-S92 PolarHBondContact O-N 2.96Å; I90-S92 VanDerWaalsContact C-N 3.31Å; S92-R94 PolarHBondContact O-N 2.93Å; S92-S95 PolarHBondContact O-N 3.03Å; S92-S95 PolarHBondContact O-OG 3.08Å; S92-S95 PolarHBondContact OG-N 3.4Å; S92-F96 PolarHBondContact O-N 2.88Å
93	E	97.7	Very high	96.5	Very high	64 Å²	64	33.8 Å²	33.8	30%	0.299	16%	0.156	S	C	.	.	H	α-helix	trans	-51.2	-39.8	173.5	-174.4	81.8	-145.6	0	0	111.6	S95 F96 Q97 Q130	E93-S95 PolarHBondContact O-N 2.93Å; E93-F96 WeakPolarHBondContact O-CB 3.23Å; E93-F96 PolarHBondContact O-N 2.95Å; E93-Q97 WeakPolarHBondContact O-CG 3.5Å; E93-Q97 PolarHBondContact O-N 2.96Å; E93-Q130 HydrophobicContact CB-CB 4.37Å; E93-Q130 VanDerWaalsContact N-OE1 3.11Å
94	R	96.8	Very high	96.2	Very high	172 Å²	172	37 Å²	37	65%	0.649	18%	0.178	S	C	*	.	H	α-helix	trans	-59.6	-44.5	179.2	-177.5	179.1	179.4	-172.8	-4.1	112.2	S92 F96 Q97 H98	S92-R94 PolarHBondContact O-N 2.93Å; R94-F96 PolarHBondContact O-N 2.65Å; R94-Q97 PolarHBondContact O-N 2.94Å; R94-H98 PolarHBondContact O-N 3.21Å
95	S	97.1	Very high	95.9	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-64.5	-33.6	179.9	73.6	0	0	0	0	112	D89 S92 E93	D89-S95 PolarHBondContact N-OG 2.97Å; D89-S95 PolarHBondContact O-OG 3.37Å; S92-S95 PolarHBondContact O-N 3.03Å; S92-S95 PolarHBondContact O-OG 3.08Å; S92-S95 PolarHBondContact OG-N 3.4Å; E93-S95 PolarHBondContact O-N 2.93Å
96	F	98.3	Very high	95.6	Very high	23 Å²	23	38.3 Å²	38.3	10%	0.101	19%	0.185	C	C	.	.	H	α-helix	trans	-69.7	-43.8	175.6	177.6	-107.2	0	0	0	112.1	Y88 S92 E93 R94 H98 I99 V131 Q135 L139	Y88-F96 AromaticContact CD1-CD2 3.95Å; Y88-F96 HydrophobicContact CD1-CD2 3.95Å; Y88-F96 HydrophobicContact CD2-CB 3.83Å; Y88-F96 AromaticContact CD2-CD2 3.86Å; Y88-F96 HydrophobicContact CD2-CD2 3.86Å; Y88-F96 HydrophobicContact CD2-CG 4.3Å; Y88-F96 AromaticContact CE1-CD2 3.81Å; Y88-F96 HydrophobicContact CE1-CD2 3.81Å; Y88-F96 HydrophobicContact CE1-CE2 4.18Å; Y88-F96 HydrophobicContact CE2-CB 4.3Å; Y88-F96 AromaticContact CE2-CD2 3.73Å; Y88-F96 HydrophobicContact CE2-CD2 3.73Å; Y88-F96 HydrophobicContact CE2-CG 4.37Å; Y88-F96 HydrophobicContact CG-CB 4.19Å; Y88-F96 AromaticContact CG-CD2 3.97Å; Y88-F96 HydrophobicContact CG-CD2 3.97Å; Y88-F96 AromaticContact CZ-CD2 3.7Å; S92-F96 PolarHBondContact O-N 2.88Å; E93-F96 WeakPolarHBondContact O-CB 3.23Å; E93-F96 PolarHBondContact O-N 2.95Å; R94-F96 PolarHBondContact O-N 2.65Å; F96-H98 PolarHBondContact O-N 3.26Å; F96-I99 VanDerWaalsContact O-CB 3.27Å; F96-I99 WeakPolarHBondContact O-CB 3.18Å; F96-I99 WeakPolarHBondContact O-CG1 3.34Å; F96-I99 PolarHBondContact O-N 3.11Å; F96-V131 HydrophobicContact CB-CG1 4.37Å; F96-V131 HydrophobicContact CB-CG2 3.72Å; F96-V131 HydrophobicContact CD1-CG1 4.05Å; F96-V131 HydrophobicContact CD1-CG2 4.41Å; F96-V131 HydrophobicContact CD2-CG1 3.87Å; F96-V131 HydrophobicContact CE1-CG1 4.3Å; F96-V131 HydrophobicContact CE2-CG1 4.11Å; F96-V131 HydrophobicContact CG-CG1 3.83Å; F96-V131 HydrophobicContact CG-CG2 4.05Å; F96-V131 HydrophobicContact CZ-CG1 4.32Å; F96-Q135 HydrophobicContact CE1-CB 4.12Å; F96-Q135 HydrophobicContact CZ-CB 3.89Å; F96-L139 HydrophobicContact CD2-CD2 4.19Å; F96-L139 HydrophobicContact CE2-CB 4.16Å; F96-L139 HydrophobicContact CE2-CD2 3.48Å; F96-L139 VanDerWaalsContact CE2-CD2 3.48Å; F96-L139 HydrophobicContact CE2-CG 4.45Å; F96-L139 HydrophobicContact CZ-CB 3.95Å; F96-L139 HydrophobicContact CZ-CD2 3.71Å; F96-L139 HydrophobicContact CZ-CG 4.38Å
97	Q	96.6	Very high	95.3	Very high	103 Å²	103	42.7 Å²	42.7	48%	0.481	21%	0.209	S	C	.	.	H	α-helix	trans	-59.7	-36	176.6	-70.5	175.8	-2.6	0	0	112.3	E93 R94 I99 M100	E93-Q97 WeakPolarHBondContact O-CG 3.5Å; E93-Q97 PolarHBondContact O-N 2.96Å; R94-Q97 PolarHBondContact O-N 2.94Å; Q97-I99 PolarHBondContact O-N 3.49Å; Q97-M100 WeakPolarHBondContact O-CE 3.48Å
98	H	95.1	Very high	94.9	Very high	59 Å²	59	48.5 Å²	48.5	27%	0.273	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-13.8	178	-67.5	169.6	0	0	0	114.2	D16 R94 F96 M100 K101 W102	D16-H98 IonicContact OD1-CG 3.54Å; D16-H98 IonicContact OD1-ND1 3.56Å; D16-H98 PolarHBondContact OD1-ND1 3.3Å; D16-H98 IonicContact OD2-CE1 2.73Å; D16-H98 IonicContact OD2-CG 3.49Å; D16-H98 IonicContact OD2-ND1 2.73Å; D16-H98 PolarHBondContact OD2-ND1 3.32Å; R94-H98 PolarHBondContact O-N 3.21Å; F96-H98 PolarHBondContact O-N 3.26Å; H98-M100 PolarHBondContact O-N 2.83Å; H98-K101 WeakPolarHBondContact O-CB 3.4Å; H98-K101 PolarHBondContact O-N 2.79Å; H98-W102 PolarHBondContact O-N 2.8Å
99	I	95.8	Very high	94.5	Very high	1 Å²	1	51 Å²	51	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-57.5	-35.5	175.3	-65.6	-54.8	0	0	0	111.7	L86 Y88 F96 Q97 K101 W102 A103 L118 L139	L86-I99 HydrophobicContact CB-CD1 4.27Å; L86-I99 HydrophobicContact CB-CG2 4.44Å; L86-I99 HydrophobicContact CD1-CG2 4.15Å; Y88-I99 HydrophobicContact CD1-CG1 4.16Å; Y88-I99 HydrophobicContact CG-CG1 4.38Å; F96-I99 VanDerWaalsContact O-CB 3.27Å; F96-I99 WeakPolarHBondContact O-CB 3.18Å; F96-I99 WeakPolarHBondContact O-CG1 3.34Å; F96-I99 PolarHBondContact O-N 3.11Å; Q97-I99 PolarHBondContact O-N 3.49Å; I99-K101 VanDerWaalsContact C-N 3.27Å; I99-K101 PolarHBondContact O-N 2.71Å; I99-W102 PolarHBondContact O-N 3.22Å; I99-A103 WeakPolarHBondContact O-CB 3.45Å; I99-A103 PolarHBondContact O-N 3.45Å; I99-L118 HydrophobicContact CD1-CD1 4.34Å; I99-L118 HydrophobicContact CG1-CD1 4.14Å; I99-L118 HydrophobicContact CG2-CD1 3.66Å; I99-L139 HydrophobicContact CB-CD2 4Å; I99-L139 HydrophobicContact CG2-CD2 3.68Å
100	M	93.7	Very high	94.1	Very high	94 Å²	94	51.1 Å²	51.1	46%	0.463	25%	0.248	S	C	.	.	H	α-helix	trans	-60.9	-38.5	176.7	-69.1	178.8	-79.9	0	0	112	Q97 H98 S104 L139 Y143	Q97-M100 WeakPolarHBondContact O-CE 3.48Å; H98-M100 PolarHBondContact O-N 2.83Å; M100-S104 WeakPolarHBondContact O-CB 3.45Å; M100-S104 PolarHBondContact O-N 3.11Å; M100-L139 HydrophobicContact CG-CD1 4.24Å; M100-Y143 HydrophobicContact CG-CE2 4.39Å
101	K	92.2	Very high	93.6	Very high	103 Å²	103	53.9 Å²	53.9	45%	0.448	27%	0.266	S	S	.	.	H	α-helix	trans	-67	-47.3	174.6	-176.7	-176.1	174.1	-174.2	0	110.8	H98 I99 A103 S104 D105	H98-K101 WeakPolarHBondContact O-CB 3.4Å; H98-K101 PolarHBondContact O-N 2.79Å; I99-K101 VanDerWaalsContact C-N 3.27Å; I99-K101 PolarHBondContact O-N 2.71Å; K101-A103 VanDerWaalsContact C-N 3.31Å; K101-A103 PolarHBondContact O-N 2.68Å; K101-S104 WeakPolarHBondContact O-CB 3.4Å; K101-S104 PolarHBondContact O-N 3.2Å; K101-D105 PolarHBondContact O-N 3.04Å
102	W	92.3	Very high	93	Very high	12 Å²	12	61 Å²	61	5%	0.045	30%	0.303	C	S	.	.	H	α-helix	trans	-60	-40.9	177.6	-68.5	113.8	0	0	0	112.2	L14 D16 L86 H98 I99 D105 V106	L14-W102 HydrophobicContact CB-CE3 4.22Å; L14-W102 HydrophobicContact CD2-CE3 4.47Å; L14-W102 HydrophobicContact CD2-CZ3 4.31Å; D16-W102 PolarHBondContact OD1-NE1 3.05Å; L86-W102 HydrophobicContact CD2-CB 3.85Å; H98-W102 PolarHBondContact O-N 2.8Å; I99-W102 PolarHBondContact O-N 3.22Å; W102-D105 PolarHBondContact O-N 2.97Å; W102-V106 WeakPolarHBondContact O-CG2 3.4Å; W102-V106 PolarHBondContact O-N 3.49Å
103	A	92.4	Very high	92.5	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-63.3	-43.2	175.4	0	0	0	0	0	111.7	L86 I99 K101 D105 V106 D107 Y143 M145	L86-A103 HydrophobicContact CD1-CB 4.02Å; I99-A103 WeakPolarHBondContact O-CB 3.45Å; I99-A103 PolarHBondContact O-N 3.45Å; K101-A103 VanDerWaalsContact C-N 3.31Å; K101-A103 PolarHBondContact O-N 2.68Å; A103-D105 VanDerWaalsContact C-N 3.35Å; A103-D105 PolarHBondContact O-N 3.23Å; A103-V106 WeakPolarHBondContact O-CB 3.4Å; A103-V106 PolarHBondContact O-N 3.22Å; A103-D107 PolarHBondContact O-N 3.41Å; A103-Y143 HydrophobicContact CB-CD1 3.9Å; A103-Y143 HydrophobicContact CB-CE1 3.66Å; A103-M145 HydrophobicContact CB-CE 4.1Å
104	S	91.6	Very high	92.4	Very high	68 Å²	68	63.4 Å²	63.4	48%	0.476	31%	0.309	S	S	.	.	H	α-helix	trans	-60.6	-42.4	174.7	-170.6	0	0	0	0	112.3	M100 K101 V106 D107 E108	M100-S104 WeakPolarHBondContact O-CB 3.45Å; M100-S104 PolarHBondContact O-N 3.11Å; K101-S104 WeakPolarHBondContact O-CB 3.4Å; K101-S104 PolarHBondContact O-N 3.2Å; S104-V106 VanDerWaalsContact C-N 3.3Å; S104-V106 PolarHBondContact O-N 3.35Å; S104-D107 PolarHBondContact O-N 3.43Å; S104-E108 PolarHBondContact O-N 3Å
105	D	90	Very high	92.4	Very high	27 Å²	27	57.8 Å²	57.8	14%	0.144	29%	0.29	C	S	.	.	H	α-helix	trans	-63.8	-37.7	176.5	-72.3	-16.6	0	0	0	111.1	Y78 K101 W102 A103 E108 Y109	Y78-D105 HydrophobicContact CE1-CB 4.36Å; K101-D105 PolarHBondContact O-N 3.04Å; W102-D105 PolarHBondContact O-N 2.97Å; A103-D105 VanDerWaalsContact C-N 3.35Å; A103-D105 PolarHBondContact O-N 3.23Å; D105-E108 PolarHBondContact O-N 3.18Å; D105-Y109 HydrophobicContact CB-CD2 4.33Å; D105-Y109 HydrophobicContact CB-CE2 4.49Å; D105-Y109 WeakPolarHBondContact O-CB 3.44Å; D105-Y109 WeakPolarHBondContact O-CD2 3.49Å; D105-Y109 PolarHBondContact O-N 2.95Å
106	V	91.3	Very high	92.4	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.006	30%	0.297	C	S	.	.	H	α-helix	trans	-63.1	-47.9	174.6	173.2	0	0	0	0	110.8	L14 Y78 I84 L86 W102 A103 S104 E108 Y109 A110 V114 K116	L14-V106 HydrophobicContact CD1-CG2 3.67Å; Y78-V106 HydrophobicContact CD1-CG2 4.1Å; Y78-V106 HydrophobicContact CE1-CB 4.42Å; Y78-V106 HydrophobicContact CE1-CG2 3.68Å; I84-V106 HydrophobicContact CD1-CB 4.4Å; I84-V106 HydrophobicContact CD1-CG1 3.71Å; I84-V106 HydrophobicContact CD1-CG2 3.8Å; I84-V106 HydrophobicContact CG2-CG2 4.11Å; L86-V106 HydrophobicContact CD2-CG2 4.26Å; W102-V106 WeakPolarHBondContact O-CG2 3.4Å; W102-V106 PolarHBondContact O-N 3.49Å; A103-V106 WeakPolarHBondContact O-CB 3.4Å; A103-V106 PolarHBondContact O-N 3.22Å; S104-V106 VanDerWaalsContact C-N 3.3Å; S104-V106 PolarHBondContact O-N 3.35Å; V106-E108 PolarHBondContact O-N 3.46Å; V106-Y109 PolarHBondContact O-N 3.33Å; V106-A110 HydrophobicContact CG1-CB 3.87Å; V106-A110 WeakPolarHBondContact O-CB 3.4Å; V106-A110 PolarHBondContact O-N 2.91Å; V106-V114 HydrophobicContact CG1-CG1 4.01Å; V106-K116 HydrophobicContact CG1-CD 3.81Å; V106-K116 HydrophobicContact CG1-CG 4.41Å
107	D	90.7	Very high	92.4	Very high	93 Å²	93	58.4 Å²	58.4	50%	0.497	29%	0.293	S	S	.	.	H	α-helix	trans	-65.8	-26.6	-178.8	-65.7	-20.6	0	0	0	112.2	A103 S104 K116	A103-D107 PolarHBondContact O-N 3.41Å; S104-D107 PolarHBondContact O-N 3.43Å; D107-K116 IonicContact OD1-NZ 3.28Å; D107-K116 PolarHBondContact OD1-NZ 3.49Å
108	E	90.8	Very high	92.5	Very high	122 Å²	122	53.5 Å²	53.5	57%	0.57	27%	0.27	S	S	*	.	H	α-helix	trans	-80.6	-37.6	176	-168.8	-177.1	152.7	0	0	113.5	S104 D105 V106	S104-E108 PolarHBondContact O-N 3Å; D105-E108 PolarHBondContact O-N 3.18Å; V106-E108 PolarHBondContact O-N 3.46Å
109	Y	89.5	Confident	92.7	Very high	52 Å²	52	50.8 Å²	50.8	20%	0.204	26%	0.258	C	S	.	.	H	α-helix	trans	-115.6	-19	-166	-59	-55	0	0	0	116	K75 D105 V106	K75-Y109 HydrophobicContact CD-CE1 4.26Å; K75-Y109 HydrophobicContact CD-CE2 4.09Å; K75-Y109 HydrophobicContact CG-CD2 4.39Å; K75-Y109 HydrophobicContact CG-CE2 4.36Å; K75-Y109 PolarHBondContact NZ-OH 2.96Å; D105-Y109 HydrophobicContact CB-CD2 4.33Å; D105-Y109 HydrophobicContact CB-CE2 4.49Å; D105-Y109 WeakPolarHBondContact O-CB 3.44Å; D105-Y109 WeakPolarHBondContact O-CD2 3.49Å; D105-Y109 PolarHBondContact O-N 2.95Å; V106-Y109 PolarHBondContact O-N 3.33Å
110	A	90.1	Very high	92.8	Very high	14 Å²	14	50.8 Å²	50.8	12%	0.116	26%	0.257	C	S	.	.	S	Bend	trans	-90.6	158.7	-179.1	0	0	0	0	0	111.8	Y78 I84 V106 V114	Y78-A110 HydrophobicContact CD1-CB 4.48Å; I84-A110 HydrophobicContact CD1-CB 4.15Å; V106-A110 HydrophobicContact CG1-CB 3.87Å; V106-A110 WeakPolarHBondContact O-CB 3.4Å; V106-A110 PolarHBondContact O-N 2.91Å; A110-V114 HydrophobicContact CB-CB 4.28Å; A110-V114 HydrophobicContact CB-CG1 3.81Å
111	P	88.3	Confident	93	Very high	59 Å²	59	46.4 Å²	46.4	38%	0.383	24%	0.236	S	C	.	.			trans	-64.1	145.8	174	-19.5	32.3	0	0	0	112.3	Y78 K113 V114	Y78-P111 WeakPolarHBondContact O-CD 3.38Å; P111-K113 PolarHBondContact O-N 3.29Å; P111-V114 WeakPolarHBondContact O-CB 3.47Å; P111-V114 WeakPolarHBondContact O-CG1 3.35Å; P111-V114 PolarHBondContact O-N 2.73Å
112	D	85.3	Confident	93.3	Very high	173 Å²	173	44.7 Å²	44.7	93%	0.925	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-28.1	-177.1	-60.5	-19.5	0	0	0	115
113	K	87.9	Confident	93.6	Very high	137 Å²	137	45 Å²	45	60%	0.596	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	3.7	-178	-63.5	-175	-178.9	178.8	0	114.3	P111 Q115	P111-K113 PolarHBondContact O-N 3.29Å; K113-Q115 PolarHBondContact O-N 3.49Å; K113-Q115 PolarHBondContact O-NE2 2.75Å
114	V	94.4	Very high	93.8	Very high	15 Å²	15	48 Å²	48	9%	0.091	25%	0.248	C	C	.	.			trans	-62.3	131.4	-177	73.7	0	0	0	0	110.8	A81 I84 V106 A110 P111 K116	A81-V114 HydrophobicContact CB-CG2 4.36Å; I84-V114 HydrophobicContact CD1-CG2 3.81Å; I84-V114 HydrophobicContact CG1-CG2 3.71Å; V106-V114 HydrophobicContact CG1-CG1 4.01Å; A110-V114 HydrophobicContact CB-CB 4.28Å; A110-V114 HydrophobicContact CB-CG1 3.81Å; P111-V114 WeakPolarHBondContact O-CB 3.47Å; P111-V114 WeakPolarHBondContact O-CG1 3.35Å; P111-V114 PolarHBondContact O-N 2.73Å; V114-K116 HydrophobicContact CG1-CG 4.43Å
115	Q	97	Very high	94	Very high	54 Å²	54	46.7 Å²	46.7	25%	0.252	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	144.8	177	-58.2	-56.5	-60.4	0	0	110.3	Q82 G83 I84 K113 L165 Q168 V169 A172	Q82-Q115 PolarHBondContact O-N 2.73Å; G83-Q115 CarbonylContact C-O 3.51Å; G83-Q115 VanDerWaalsContact CA-O 3.25Å; G83-Q115 WeakPolarHBondContact CA-O 3.33Å; I84-Q115 PolarHBondContact N-O 2.73Å; K113-Q115 PolarHBondContact O-N 3.49Å; K113-Q115 PolarHBondContact O-NE2 2.75Å; Q115-L165 HydrophobicContact CB-CD1 3.7Å; Q115-Q168 HydrophobicContact CB-CB 4.04Å; Q115-Q168 HydrophobicContact CG-CB 3.94Å; Q115-V169 HydrophobicContact CB-CG2 3.91Å; Q115-V169 HydrophobicContact CG-CG2 3.94Å; Q115-A172 HydrophobicContact CG-CB 4.2Å
116	K	96.6	Very high	94.3	Very high	39 Å²	39	50.2 Å²	50.2	17%	0.17	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	133.3	-171.2	-66	177.7	-80.2	-172.2	0	110.8	I84 V106 D107 V114 M145	I84-K116 WeakPolarHBondContact O-CA 3.18Å; V106-K116 HydrophobicContact CG1-CD 3.81Å; V106-K116 HydrophobicContact CG1-CG 4.41Å; D107-K116 IonicContact OD1-NZ 3.28Å; D107-K116 PolarHBondContact OD1-NZ 3.49Å; V114-K116 HydrophobicContact CG1-CG 4.43Å; K116-M145 HydrophobicContact CB-CG 3.85Å; K116-M145 HydrophobicContact CB-SD 3.89Å
117	I	98.5	Very high	94.6	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	133.8	170.5	-66.1	-171	0	0	0	109.7	I84 F85 L86 V119 D146 F148 T161 R164 L165	I84-I117 PolarHBondContact O-N 3.22Å; F85-I117 WeakPolarHBondContact CA-O 3.44Å; F85-I117 HydrophobicContact CD1-CB 4.24Å; L86-I117 PolarHBondContact N-O 2.98Å; I117-V119 HydrophobicContact CG2-CG2 4.02Å; I117-D146 HydrophobicContact CD1-CB 4.4Å; I117-D146 HydrophobicContact CG1-CB 4.18Å; I117-F148 HydrophobicContact CD1-CE2 4.25Å; I117-F148 HydrophobicContact CG2-CD2 3.79Å; I117-F148 HydrophobicContact CG2-CE2 4.33Å; I117-T161 HydrophobicContact CG2-CG2 4.13Å; I117-R164 HydrophobicContact CD1-CB 4.1Å; I117-R164 HydrophobicContact CD1-CG 3.76Å; I117-L165 HydrophobicContact CD1-CB 3.74Å; I117-L165 HydrophobicContact CD1-CD1 4.33Å; I117-L165 HydrophobicContact CG1-CB 4.34Å; I117-L165 HydrophobicContact CG1-CD1 4.06Å
118	L	98.8	Very high	94.9	Very high	1 Å²	1	61 Å²	61	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	132.7	170.6	-177.6	64.9	0	0	0	110.1	L86 Y88 I99 G136 L139 A140 M145 D146 F147 F148	L86-L118 HydrophobicContact CB-CD1 4.07Å; Y88-L118 HydrophobicContact CD1-CD1 3.9Å; Y88-L118 HydrophobicContact CD1-CG 4.4Å; Y88-L118 HydrophobicContact CE1-CD1 4.03Å; Y88-L118 HydrophobicContact CE1-CD2 4.23Å; Y88-L118 HydrophobicContact CE1-CG 4.03Å; I99-L118 HydrophobicContact CD1-CD1 4.34Å; I99-L118 HydrophobicContact CG1-CD1 4.14Å; I99-L118 HydrophobicContact CG2-CD1 3.66Å; L118-G136 WeakPolarHBondContact CD2-O 3.13Å; L118-L139 HydrophobicContact CD2-CB 4.18Å; L118-L139 HydrophobicContact CD2-CD2 4.07Å; L118-L139 HydrophobicContact CD2-CG 4.34Å; L118-A140 HydrophobicContact CB-CB 4.14Å; L118-A140 HydrophobicContact CD2-CB 3.97Å; L118-M145 HydrophobicContact CB-SD 4.38Å; L118-D146 PolarHBondContact N-O 3.43Å; L118-F147 HydrophobicContact CB-CD2 4.02Å; L118-F147 HydrophobicContact CD2-CD2 3.82Å; L118-F147 HydrophobicContact CD2-CE2 4.21Å; L118-F147 HydrophobicContact CG-CD2 3.8Å; L118-F147 HydrophobicContact CG-CE2 4.22Å; L118-F147 WeakPolarHBondContact O-CA 3.45Å; L118-F147 WeakPolarHBondContact O-CD2 3.49Å; L118-F148 PolarHBondContact O-N 3.46Å
119	V	98.8	Very high	95.3	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.012	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	116.5	-177.2	-175.6	0	0	0	0	110.4	L24 F85 L86 V87 Y88 I117 F148 T150 T161	L24-V119 HydrophobicContact CD1-CG1 4.24Å; F85-V119 HydrophobicContact CB-CG2 4.44Å; F85-V119 HydrophobicContact CD1-CG2 4.08Å; L86-V119 PolarHBondContact O-N 2.99Å; V87-V119 WeakPolarHBondContact CA-O 3.33Å; V87-V119 HydrophobicContact CG1-CB 4.47Å; V87-V119 HydrophobicContact CG1-CG1 4.48Å; V87-V119 HydrophobicContact CG2-CB 4.26Å; Y88-V119 VanDerWaalsContact CD1-O 3.32Å; Y88-V119 WeakPolarHBondContact CD1-O 3.32Å; Y88-V119 PolarHBondContact N-O 3.36Å; I117-V119 HydrophobicContact CG2-CG2 4.02Å; V119-F148 CarbonylContact C-O 3.58Å; V119-F148 WeakPolarHBondContact CA-O 3.43Å; V119-T150 HydrophobicContact CG1-CG2 3.77Å; V119-T150 WeakPolarHBondContact CG1-OG1 3.29Å; V119-T161 HydrophobicContact CG2-CG2 3.71Å
120	G	98.6	Very high	95.7	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	101.6	166.5	0	0	0	0	0	110	F148 E149 T150	G120-F148 PolarHBondContact N-O 3.3Å; G120-E149 CarbonylContact O-C 3.56Å; G120-E149 VanDerWaalsContact O-CA 3.24Å; G120-E149 WeakPolarHBondContact O-CA 3.31Å; G120-T150 PolarHBondContact O-N 2.9Å
121	N	98.5	Very high	96.1	Very high	3 Å²	3	60.7 Å²	60.7	2%	0.016	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	166.2	-179	-170.7	31.3	0	0	0	111.9	V19 L24 V87 Y88 I90 T150 A152	V19-N121 PolarHBondContact O-ND2 2.79Å; L24-N121 HydrophobicContact CD1-CB 4.35Å; V87-N121 HydrophobicContact CG1-CB 4.04Å; Y88-N121 PolarHBondContact O-N 2.84Å; I90-N121 WeakPolarHBondContact CG1-O 3.46Å; I90-N121 PolarHBondContact N-O 2.91Å; N121-T150 CarbonylContact C-O 3.56Å; N121-T150 WeakPolarHBondContact CA-O 3.33Å; N121-T150 PolarHBondContact OD1-O 3.36Å; N121-T150 PolarHBondContact OD1-OG1 3.08Å; N121-A152 PolarHBondContact OD1-N 3.04Å
122	K	97.8	Very high	96.6	Very high	66 Å²	66	59.4 Å²	59.4	29%	0.287	29%	0.293	S	S	.	.			trans	67.8	34.8	-177.2	-46.4	-169.2	-165.6	167.2	0	113.5	G18 D89 I90 D124 D125 T150	G18-K122 WeakPolarHBondContact O-CE 3.42Å; G18-K122 PolarHBondContact O-NZ 2.89Å; D89-K122 WeakPolarHBondContact OD1-CD 3.29Å; D89-K122 WeakPolarHBondContact OD2-CD 3.17Å; D89-K122 WeakPolarHBondContact OD2-CE 3.48Å; D89-K122 IonicContact OD2-NZ 3.88Å; D89-K122 PolarHBondContact OD2-NZ 3.26Å; I90-K122 WeakPolarHBondContact CD1-O 3.18Å; I90-K122 WeakPolarHBondContact CG1-O 3.33Å; K122-D124 WeakPolarHBondContact CA-OD1 3.24Å; K122-D124 PolarHBondContact O-N 3.04Å; K122-D125 PolarHBondContact O-N 2.86Å; K122-D125 VanDerWaalsContact O-N 3.08Å; K122-T150 PolarHBondContact N-O 3.06Å
123	S	98.1	Very high	97.2	Very high	18 Å²	18	53.7 Å²	53.7	13%	0.126	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-13.1	178.8	71.5	0	0	0	0	114.3	T150	S123-T150 WeakPolarHBondContact CB-O 3.14Å; S123-T150 PolarHBondContact N-O 3.36Å; S123-T150 PolarHBondContact OG-O 3.12Å
124	D	97.6	Very high	97.7	Very high	64 Å²	64	53 Å²	53	34%	0.342	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-26.4	174.5	53.1	-72.9	0	0	0	114.2	K122 V126 S151 F153 T154	K122-D124 WeakPolarHBondContact CA-OD1 3.24Å; K122-D124 PolarHBondContact O-N 3.04Å; D124-V126 VanDerWaalsContact C-N 3.33Å; D124-V126 PolarHBondContact O-N 3.13Å; D124-V126 VanDerWaalsContact O-N 3.12Å; D124-S151 WeakPolarHBondContact OD1-CB 3.48Å; D124-S151 PolarHBondContact OD1-OG 2.83Å; D124-F153 HydrophobicContact CB-CD1 4.37Å; D124-F153 WeakPolarHBondContact OD2-CD1 3.25Å; D124-T154 HydrophobicContact CB-CG2 3.89Å
125	D	95.8	Very high	97.8	Very high	40 Å²	40	55.4 Å²	55.4	21%	0.214	27%	0.274	C	S	.	.			trans	-91	66.8	-178.5	-161.4	-12.9	0	0	0	111.3	T91 K122 E127 K128 R129	T91-D125 HydrophobicContact CG2-CB 3.83Å; K122-D125 PolarHBondContact O-N 2.86Å; K122-D125 VanDerWaalsContact O-N 3.08Å; D125-E127 VanDerWaalsContact C-N 3.28Å; D125-E127 PolarHBondContact O-N 3.29Å; D125-K128 PolarHBondContact O-N 2.87Å; D125-K128 WeakPolarHBondContact OD1-CB 3.47Å; D125-K128 WeakPolarHBondContact OD1-CG 3.1Å; D125-K128 PolarHBondContact OD1-N 3.46Å; D125-K128 IonicContact OD1-NZ 3.69Å; D125-K128 WeakPolarHBondContact OD2-CD 3.42Å; D125-K128 IonicContact OD2-NZ 3.37Å; D125-K128 PolarHBondContact OD2-NZ 2.8Å; D125-R129 PolarHBondContact O-N 3.46Å
126	V	96.1	Very high	97.9	Very high	101 Å²	101	52.9 Å²	52.9	61%	0.612	26%	0.262	S	S	*	.			trans	-61.8	-35.7	-175.9	-177.3	0	0	0	0	111.9	D124 K128 R129	D124-V126 VanDerWaalsContact C-N 3.33Å; D124-V126 PolarHBondContact O-N 3.13Å; D124-V126 VanDerWaalsContact O-N 3.12Å; V126-K128 VanDerWaalsContact C-N 3.33Å; V126-K128 PolarHBondContact O-N 3.4Å; V126-R129 VanDerWaalsContact O-CB 3.31Å; V126-R129 WeakPolarHBondContact O-CB 3.28Å; V126-R129 PolarHBondContact O-N 2.89Å
127	E	97.1	Very high	98	Very high	192 Å²	192	54.6 Å²	54.6	90%	0.897	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-32.7	-178.4	-63.3	-173.2	167.4	0	0	112.6	D125	D125-E127 VanDerWaalsContact C-N 3.28Å; D125-E127 PolarHBondContact O-N 3.29Å
128	K	97.5	Very high	98	Very high	129 Å²	129	61.8 Å²	61.8	56%	0.561	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	8.5	177.7	-58.5	-163.6	-156.5	95.5	0	113.6	T91 D125 V126 Q130	T91-K128 WeakPolarHBondContact CA-O 3.42Å; T91-K128 WeakPolarHBondContact CB-O 3.42Å; T91-K128 HydrophobicContact CG2-CB 3.87Å; D125-K128 PolarHBondContact O-N 2.87Å; D125-K128 WeakPolarHBondContact OD1-CB 3.47Å; D125-K128 WeakPolarHBondContact OD1-CG 3.1Å; D125-K128 PolarHBondContact OD1-N 3.46Å; D125-K128 IonicContact OD1-NZ 3.69Å; D125-K128 WeakPolarHBondContact OD2-CD 3.42Å; D125-K128 IonicContact OD2-NZ 3.37Å; D125-K128 PolarHBondContact OD2-NZ 2.8Å; V126-K128 VanDerWaalsContact C-N 3.33Å; V126-K128 PolarHBondContact O-N 3.4Å; K128-Q130 PolarHBondContact O-N 3.05Å
129	R	98.4	Very high	97.9	Very high	72 Å²	72	63 Å²	63	27%	0.272	31%	0.313	S	S	.	.			trans	-57.6	124.7	178.8	179.8	179.1	-72.2	-93.2	9.9	110.4	I90 D125 V126 V131 T133 E149	I90-R129 HydrophobicContact CD1-CB 4.28Å; I90-R129 HydrophobicContact CD1-CG 4.23Å; I90-R129 VanDerWaalsContact CD1-CZ 3.42Å; D125-R129 PolarHBondContact O-N 3.46Å; V126-R129 VanDerWaalsContact O-CB 3.31Å; V126-R129 WeakPolarHBondContact O-CB 3.28Å; V126-R129 PolarHBondContact O-N 2.89Å; R129-V131 WeakPolarHBondContact CD-O 3.39Å; R129-V131 VanDerWaalsContact CG-O 3.25Å; R129-V131 WeakPolarHBondContact CG-O 3.19Å; R129-V131 PolarHBondContact NH1-O 3.22Å; R129-T133 PolarHBondContact NH1-OG1 2.91Å; R129-E149 IonicContact CZ-OE1 2.71Å; R129-E149 IonicContact CZ-OE2 2.84Å; R129-E149 IonicContact NH1-OE1 3.71Å; R129-E149 PolarHBondContact NH1-OE1 3.46Å; R129-E149 IonicContact NH1-OE2 3.62Å; R129-E149 PolarHBondContact NH1-OE2 3.35Å; R129-E149 IonicContact NH2-OE1 2.62Å; R129-E149 IonicContact NH2-OE2 3.53Å; R129-E149 PolarHBondContact NH2-OE2 3.02Å
130	Q	98.5	Very high	97.9	Very high	109 Å²	109	63 Å²	63	51%	0.509	31%	0.313	S	S	.	.			trans	-107.9	-29.6	172.8	-64.8	179.4	15.9	0	0	111.2	I90 T91 E93 K128	I90-Q130 PolarHBondContact O-N 3.01Å; T91-Q130 PolarHBondContact O-NE2 2.87Å; T91-Q130 PolarHBondContact O-OE1 2.8Å; E93-Q130 HydrophobicContact CB-CB 4.37Å; E93-Q130 VanDerWaalsContact N-OE1 3.11Å; K128-Q130 PolarHBondContact O-N 3.05Å
131	V	98.3	Very high	97.8	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	35%	0.35	C	S	.	.	S	Bend	trans	-105.4	117.5	-178.6	-173.3	0	0	0	0	110	Y88 I90 F96 R129 Q135	Y88-V131 HydrophobicContact CE2-CB 4.01Å; Y88-V131 HydrophobicContact CE2-CG1 3.79Å; Y88-V131 HydrophobicContact CE2-CG2 4.27Å; I90-V131 PolarHBondContact O-N 2.84Å; F96-V131 HydrophobicContact CB-CG1 4.37Å; F96-V131 HydrophobicContact CB-CG2 3.72Å; F96-V131 HydrophobicContact CD1-CG1 4.05Å; F96-V131 HydrophobicContact CD1-CG2 4.41Å; F96-V131 HydrophobicContact CD2-CG1 3.87Å; F96-V131 HydrophobicContact CE1-CG1 4.3Å; F96-V131 HydrophobicContact CE2-CG1 4.11Å; F96-V131 HydrophobicContact CG-CG1 3.83Å; F96-V131 HydrophobicContact CG-CG2 4.05Å; F96-V131 HydrophobicContact CZ-CG1 4.32Å; R129-V131 WeakPolarHBondContact CD-O 3.39Å; R129-V131 VanDerWaalsContact CG-O 3.25Å; R129-V131 WeakPolarHBondContact CG-O 3.19Å; R129-V131 PolarHBondContact NH1-O 3.22Å; V131-Q135 HydrophobicContact CG1-CB 4.02Å
132	A	98.2	Very high	97.7	Very high	33 Å²	33	75.2 Å²	75.2	27%	0.273	38%	0.381	S	S	.	.			trans	-69.2	146.6	175.3	0	0	0	0	0	111	E134 Q135 G136	A132-E134 WeakPolarHBondContact CB-OE2 3.38Å; A132-E134 PolarHBondContact O-N 3.5Å; A132-Q135 HydrophobicContact CB-CG 4.34Å; A132-Q135 WeakPolarHBondContact O-CB 3.25Å; A132-Q135 PolarHBondContact O-N 3.46Å; A132-G136 PolarHBondContact O-N 3.32Å
133	T	98	Very high	97.5	Very high	53 Å²	53	75.7 Å²	75.7	33%	0.325	38%	0.382	S	S	.	.	H	α-helix	trans	-57.5	-35.6	179.8	-55.3	0	0	0	0	111.4	R129 Q135 G136 V137 F147 E149	R129-T133 PolarHBondContact NH1-OG1 2.91Å; T133-Q135 VanDerWaalsContact C-N 3.27Å; T133-Q135 PolarHBondContact O-N 2.88Å; T133-G136 PolarHBondContact O-N 3.15Å; T133-V137 WeakPolarHBondContact O-CG2 3.38Å; T133-V137 PolarHBondContact O-N 3.27Å; T133-F147 HydrophobicContact CG2-CE1 4Å; T133-E149 WeakPolarHBondContact CA-OE1 3.42Å; T133-E149 WeakPolarHBondContact CB-OE1 3.35Å; T133-E149 HydrophobicContact CG2-CG 4.5Å; T133-E149 PolarHBondContact OG1-OE1 2.97Å
134	E	98.4	Very high	97.3	Very high	123 Å²	123	78.2 Å²	78.2	58%	0.575	41%	0.411	S	S	*	.	H	α-helix	trans	-63.9	-30.5	177.1	-61.2	74.4	-163.7	0	0	112.7	A132 K138	A132-E134 WeakPolarHBondContact CB-OE2 3.38Å; A132-E134 PolarHBondContact O-N 3.5Å; E134-K138 WeakPolarHBondContact O-CB 3.17Å; E134-K138 WeakPolarHBondContact O-CG 3.3Å; E134-K138 PolarHBondContact O-N 3.17Å
135	Q	98.3	Very high	97.3	Very high	65 Å²	65	75.8 Å²	75.8	30%	0.304	40%	0.398	S	S	.	.	H	α-helix	trans	-67.5	-44.2	174.9	-68.5	170.4	-96	0	0	110.4	F96 V131 A132 T133 K138 L139	F96-Q135 HydrophobicContact CE1-CB 4.12Å; F96-Q135 HydrophobicContact CZ-CB 3.89Å; V131-Q135 HydrophobicContact CG1-CB 4.02Å; A132-Q135 HydrophobicContact CB-CG 4.34Å; A132-Q135 WeakPolarHBondContact O-CB 3.25Å; A132-Q135 PolarHBondContact O-N 3.46Å; T133-Q135 VanDerWaalsContact C-N 3.27Å; T133-Q135 PolarHBondContact O-N 2.88Å; Q135-K138 PolarHBondContact O-N 2.85Å; Q135-L139 WeakPolarHBondContact O-CB 3.43Å; Q135-L139 PolarHBondContact O-N 2.83Å
136	G	98.1	Very high	97.4	Very high	0 Å²	0	76.3 Å²	76.3	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-59.9	-47.9	174.8	0	0	0	0	0	112.3	L118 A132 T133 K138 L139 A140	L118-G136 WeakPolarHBondContact CD2-O 3.13Å; A132-G136 PolarHBondContact O-N 3.32Å; T133-G136 PolarHBondContact O-N 3.15Å; G136-K138 PolarHBondContact O-N 3.15Å; G136-L139 PolarHBondContact O-N 3.39Å; G136-A140 WeakPolarHBondContact O-CB 3.22Å; G136-A140 PolarHBondContact O-N 3.35Å
137	V	98.3	Very high	97.5	Very high	76 Å²	76	73.4 Å²	73.4	46%	0.461	38%	0.38	S	S	.	.	H	α-helix	trans	-58.6	-45.9	176	173.2	0	0	0	0	111.7	T133 K141 F147	T133-V137 WeakPolarHBondContact O-CG2 3.38Å; T133-V137 PolarHBondContact O-N 3.27Å; V137-K141 WeakPolarHBondContact O-CB 3.34Å; V137-K141 PolarHBondContact O-N 3.33Å; V137-F147 HydrophobicContact CB-CD1 4.48Å; V137-F147 HydrophobicContact CG2-CD1 3.6Å; V137-F147 HydrophobicContact CG2-CE1 3.98Å
138	K	98.4	Very high	97.6	Very high	151 Å²	151	66 Å²	66	66%	0.657	35%	0.345	S	S	*	.	H	α-helix	trans	-62.5	-44.6	178.6	-77	171.5	-175.4	177.8	0	111.7	E134 Q135 G136 K141 A142	E134-K138 WeakPolarHBondContact O-CB 3.17Å; E134-K138 WeakPolarHBondContact O-CG 3.3Å; E134-K138 PolarHBondContact O-N 3.17Å; Q135-K138 PolarHBondContact O-N 2.85Å; G136-K138 PolarHBondContact O-N 3.15Å; K138-K141 PolarHBondContact O-N 3.46Å; K138-A142 PolarHBondContact O-N 2.89Å
139	L	97.6	Very high	97.6	Very high	25 Å²	25	61.1 Å²	61.1	13%	0.131	32%	0.324	C	S	.	.	H	α-helix	trans	-65.3	-47.8	179.9	-172.5	69.1	0	0	0	111.2	F96 I99 M100 L118 Q135 G136 K141 A142 Y143	F96-L139 HydrophobicContact CD2-CD2 4.19Å; F96-L139 HydrophobicContact CE2-CB 4.16Å; F96-L139 HydrophobicContact CE2-CD2 3.48Å; F96-L139 VanDerWaalsContact CE2-CD2 3.48Å; F96-L139 HydrophobicContact CE2-CG 4.45Å; F96-L139 HydrophobicContact CZ-CB 3.95Å; F96-L139 HydrophobicContact CZ-CD2 3.71Å; F96-L139 HydrophobicContact CZ-CG 4.38Å; I99-L139 HydrophobicContact CB-CD2 4Å; I99-L139 HydrophobicContact CG2-CD2 3.68Å; M100-L139 HydrophobicContact CG-CD1 4.24Å; L118-L139 HydrophobicContact CD2-CB 4.18Å; L118-L139 HydrophobicContact CD2-CD2 4.07Å; L118-L139 HydrophobicContact CD2-CG 4.34Å; Q135-L139 WeakPolarHBondContact O-CB 3.43Å; Q135-L139 PolarHBondContact O-N 2.83Å; G136-L139 PolarHBondContact O-N 3.39Å; L139-K141 VanDerWaalsContact C-N 3.31Å; L139-K141 PolarHBondContact O-N 3.36Å; L139-A142 WeakPolarHBondContact O-CB 3.11Å; L139-A142 PolarHBondContact O-N 3.19Å; L139-A142 VanDerWaalsContact O-N 3.11Å; L139-Y143 HydrophobicContact CD1-CD2 3.96Å; L139-Y143 HydrophobicContact CD1-CE2 3.65Å; L139-Y143 HydrophobicContact CG-CD2 4.3Å; L139-Y143 HydrophobicContact CG-CE2 4.41Å; L139-Y143 WeakPolarHBondContact O-CD2 3.44Å; L139-Y143 PolarHBondContact O-N 3.47Å
140	A	97.8	Very high	97.6	Very high	2 Å²	2	57.7 Å²	57.7	2%	0.017	31%	0.311	C	S	.	.	H	α-helix	trans	-58.3	-44.4	178.3	0	0	0	0	0	111.6	L118 G136 A142 Y143 G144 M145 F147	L118-A140 HydrophobicContact CB-CB 4.14Å; L118-A140 HydrophobicContact CD2-CB 3.97Å; G136-A140 WeakPolarHBondContact O-CB 3.22Å; G136-A140 PolarHBondContact O-N 3.35Å; A140-A142 VanDerWaalsContact C-N 3.34Å; A140-A142 PolarHBondContact O-N 3.03Å; A140-Y143 CarbonylContact O-C 3.52Å; A140-Y143 PolarHBondContact O-N 2.95Å; A140-G144 PolarHBondContact O-N 3.19Å; A140-M145 CarbonylContact C-O 3.57Å; A140-M145 HydrophobicContact CB-CB 4.3Å; A140-M145 WeakPolarHBondContact CB-O 3.45Å; A140-M145 PolarHBondContact O-N 3.02Å; A140-F147 HydrophobicContact CB-CB 3.64Å; A140-F147 HydrophobicContact CB-CG 4.41Å
141	K	97.5	Very high	97.6	Very high	179 Å²	179	52.5 Å²	52.5	78%	0.778	29%	0.287	S	S	*	.	H	α-helix	trans	-60.8	-41.1	175.4	-173.1	176.6	-179	178.4	0	112.7	V137 K138 L139 Y143 G144	V137-K141 WeakPolarHBondContact O-CB 3.34Å; V137-K141 PolarHBondContact O-N 3.33Å; K138-K141 PolarHBondContact O-N 3.46Å; L139-K141 VanDerWaalsContact C-N 3.31Å; L139-K141 PolarHBondContact O-N 3.36Å; K141-Y143 PolarHBondContact O-N 3.2Å; K141-G144 PolarHBondContact O-N 2.8Å
142	A	95.9	Very high	97.5	Very high	81 Å²	81	52.7 Å²	52.7	67%	0.669	29%	0.288	S	S	*	.	H	α-helix	trans	-62.3	-31	179.7	0	0	0	0	0	112.8	K138 L139 A140	K138-A142 PolarHBondContact O-N 2.89Å; L139-A142 WeakPolarHBondContact O-CB 3.11Å; L139-A142 PolarHBondContact O-N 3.19Å; L139-A142 VanDerWaalsContact O-N 3.11Å; A140-A142 VanDerWaalsContact C-N 3.34Å; A140-A142 PolarHBondContact O-N 3.03Å
143	Y	94	Very high	97.4	Very high	76 Å²	76	56.7 Å²	56.7	30%	0.298	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	7.2	179.2	-74.6	-90.4	0	0	0	114.1	M100 A103 L139 A140 K141 M145	M100-Y143 HydrophobicContact CG-CE2 4.39Å; A103-Y143 HydrophobicContact CB-CD1 3.9Å; A103-Y143 HydrophobicContact CB-CE1 3.66Å; L139-Y143 HydrophobicContact CD1-CD2 3.96Å; L139-Y143 HydrophobicContact CD1-CE2 3.65Å; L139-Y143 HydrophobicContact CG-CD2 4.3Å; L139-Y143 HydrophobicContact CG-CE2 4.41Å; L139-Y143 WeakPolarHBondContact O-CD2 3.44Å; L139-Y143 PolarHBondContact O-N 3.47Å; A140-Y143 CarbonylContact O-C 3.52Å; A140-Y143 PolarHBondContact O-N 2.95Å; K141-Y143 PolarHBondContact O-N 3.2Å; Y143-M145 HydrophobicContact CD1-CE 4.08Å; Y143-M145 HydrophobicContact CD2-CE 4.39Å; Y143-M145 HydrophobicContact CG-CE 3.67Å; Y143-M145 PolarHBondContact O-N 3.32Å
144	G	94.6	Very high	97.3	Very high	71 Å²	71	57.9 Å²	57.9	73%	0.732	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	36.1	179.8	0	0	0	0	0	114.4	A140 K141	A140-G144 PolarHBondContact O-N 3.19Å; K141-G144 PolarHBondContact O-N 2.8Å
145	M	96.2	Very high	97.3	Very high	13 Å²	13	55 Å²	55	6%	0.064	30%	0.295	C	S	.	.			trans	-106.2	152.9	177.8	-48.7	-172.8	-146.6	0	0	111	L86 A103 K116 L118 A140 Y143	L86-M145 HydrophobicContact CD1-CE 3.52Å; L86-M145 HydrophobicContact CD1-SD 3.7Å; L86-M145 HydrophobicContact CG-SD 4.5Å; A103-M145 HydrophobicContact CB-CE 4.1Å; K116-M145 HydrophobicContact CB-CG 3.85Å; K116-M145 HydrophobicContact CB-SD 3.89Å; L118-M145 HydrophobicContact CB-SD 4.38Å; A140-M145 CarbonylContact C-O 3.57Å; A140-M145 HydrophobicContact CB-CB 4.3Å; A140-M145 WeakPolarHBondContact CB-O 3.45Å; A140-M145 PolarHBondContact O-N 3.02Å; Y143-M145 HydrophobicContact CD1-CE 4.08Å; Y143-M145 HydrophobicContact CD2-CE 4.39Å; Y143-M145 HydrophobicContact CG-CE 3.67Å; Y143-M145 PolarHBondContact O-N 3.32Å
146	D	97.9	Very high	97.3	Very high	52 Å²	52	56.1 Å²	56.1	28%	0.278	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	156	161.7	-72.7	-5.7	0	0	0	109.4	I117 L118 F148 R164 Q168	I117-D146 HydrophobicContact CD1-CB 4.4Å; I117-D146 HydrophobicContact CG1-CB 4.18Å; L118-D146 PolarHBondContact N-O 3.43Å; D146-F148 HydrophobicContact CB-CE2 4.13Å; D146-R164 IonicContact OD2-CZ 3.59Å; D146-R164 VanDerWaalsContact OD2-CZ 3.28Å; D146-R164 IonicContact OD2-NE 2.75Å; D146-R164 PolarHBondContact OD2-NE 3.31Å; D146-R164 IonicContact OD2-NH2 2.89Å; D146-R164 PolarHBondContact OD2-NH2 2.62Å; D146-Q168 PolarHBondContact OD2-NE2 3.32Å
147	F	98.6	Very high	97.3	Very high	39 Å²	39	58.9 Å²	58.9	17%	0.171	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	133.8	-178.2	176.8	-117.3	0	0	0	112	Y88 L118 T133 V137 A140 E149	Y88-F147 AromaticContact CE1-CE2 3.98Å; Y88-F147 HydrophobicContact CE1-CE2 3.98Å; Y88-F147 WeakPolarHBondContact OH-CE2 3.35Å; Y88-F147 WeakPolarHBondContact OH-CZ 3.37Å; L118-F147 HydrophobicContact CB-CD2 4.02Å; L118-F147 HydrophobicContact CD2-CD2 3.82Å; L118-F147 HydrophobicContact CD2-CE2 4.21Å; L118-F147 HydrophobicContact CG-CD2 3.8Å; L118-F147 HydrophobicContact CG-CE2 4.22Å; L118-F147 WeakPolarHBondContact O-CA 3.45Å; L118-F147 WeakPolarHBondContact O-CD2 3.49Å; T133-F147 HydrophobicContact CG2-CE1 4Å; V137-F147 HydrophobicContact CB-CD1 4.48Å; V137-F147 HydrophobicContact CG2-CD1 3.6Å; V137-F147 HydrophobicContact CG2-CE1 3.98Å; A140-F147 HydrophobicContact CB-CB 3.64Å; A140-F147 HydrophobicContact CB-CG 4.41Å; F147-E149 HydrophobicContact CE1-CG 3.94Å; F147-E149 HydrophobicContact CE2-CG 4.5Å; F147-E149 HydrophobicContact CZ-CG 3.57Å
148	F	98.7	Very high	97.2	Very high	37 Å²	37	55.3 Å²	55.3	16%	0.162	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	137.2	172.8	-67.5	-95.5	0	0	0	110.7	I117 L118 V119 G120 D146 T150 E160 T161 R164	I117-F148 HydrophobicContact CD1-CE2 4.25Å; I117-F148 HydrophobicContact CG2-CD2 3.79Å; I117-F148 HydrophobicContact CG2-CE2 4.33Å; L118-F148 PolarHBondContact O-N 3.46Å; V119-F148 CarbonylContact C-O 3.58Å; V119-F148 WeakPolarHBondContact CA-O 3.43Å; G120-F148 PolarHBondContact N-O 3.3Å; D146-F148 HydrophobicContact CB-CE2 4.13Å; F148-T150 HydrophobicContact CB-CG2 4.33Å; F148-E160 HydrophobicContact CE1-CG 3.9Å; F148-T161 HydrophobicContact CB-CG2 4.19Å; F148-T161 VanDerWaalsContact CB-OG1 3.32Å; F148-T161 WeakPolarHBondContact CB-OG1 3.45Å; F148-T161 HydrophobicContact CD2-CG2 4.19Å; F148-T161 HydrophobicContact CG-CG2 4.26Å; F148-T161 WeakPolarHBondContact CG-OG1 3.25Å; F148-R164 HydrophobicContact CE2-CB 4.26Å; F148-R164 HydrophobicContact CE2-CG 3.88Å; F148-R164 HydrophobicContact CZ-CB 4.11Å; F148-R164 HydrophobicContact CZ-CG 3.88Å
149	E	98.6	Very high	97.2	Very high	26 Å²	26	51.7 Å²	51.7	12%	0.121	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	134.3	158.6	-70.9	-165.6	174.4	0	0	109.8	G120 R129 T133 F147 N157	G120-E149 CarbonylContact O-C 3.56Å; G120-E149 VanDerWaalsContact O-CA 3.24Å; G120-E149 WeakPolarHBondContact O-CA 3.31Å; R129-E149 IonicContact CZ-OE1 2.71Å; R129-E149 IonicContact CZ-OE2 2.84Å; R129-E149 IonicContact NH1-OE1 3.71Å; R129-E149 PolarHBondContact NH1-OE1 3.46Å; R129-E149 IonicContact NH1-OE2 3.62Å; R129-E149 PolarHBondContact NH1-OE2 3.35Å; R129-E149 IonicContact NH2-OE1 2.62Å; R129-E149 IonicContact NH2-OE2 3.53Å; R129-E149 PolarHBondContact NH2-OE2 3.02Å; T133-E149 WeakPolarHBondContact CA-OE1 3.42Å; T133-E149 WeakPolarHBondContact CB-OE1 3.35Å; T133-E149 HydrophobicContact CG2-CG 4.5Å; T133-E149 PolarHBondContact OG1-OE1 2.97Å; F147-E149 HydrophobicContact CE1-CG 3.94Å; F147-E149 HydrophobicContact CE2-CG 4.5Å; F147-E149 HydrophobicContact CZ-CG 3.57Å; E149-N157 VanDerWaalsContact O-CB 3.29Å; E149-N157 WeakPolarHBondContact O-CB 3.32Å; E149-N157 PolarHBondContact O-ND2 2.68Å
150	T	98.6	Very high	97.2	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.006	31%	0.305	C	S	.	.			trans	-131.8	158	-174.4	59.1	0	0	0	0	111.1	V119 G120 N121 K122 S123 F148 H156 N157 T161	V119-T150 HydrophobicContact CG1-CG2 3.77Å; V119-T150 WeakPolarHBondContact CG1-OG1 3.29Å; G120-T150 PolarHBondContact O-N 2.9Å; N121-T150 CarbonylContact C-O 3.56Å; N121-T150 WeakPolarHBondContact CA-O 3.33Å; N121-T150 PolarHBondContact OD1-O 3.36Å; N121-T150 PolarHBondContact OD1-OG1 3.08Å; K122-T150 PolarHBondContact N-O 3.06Å; S123-T150 WeakPolarHBondContact CB-O 3.14Å; S123-T150 PolarHBondContact N-O 3.36Å; S123-T150 PolarHBondContact OG-O 3.12Å; F148-T150 HydrophobicContact CB-CG2 4.33Å; T150-H156 WeakPolarHBondContact CA-O 3.44Å; T150-N157 HydrophobicContact CG2-CB 3.94Å; T150-T161 WeakPolarHBondContact CG2-OG1 3.48Å
151	S	98.1	Very high	97.2	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-136	107.9	168.5	167.8	0	0	0	0	109.2	D124 F153 T154 N155 H156	D124-S151 WeakPolarHBondContact OD1-CB 3.48Å; D124-S151 PolarHBondContact OD1-OG 2.83Å; S151-F153 PolarHBondContact O-N 3.05Å; S151-F153 PolarHBondContact OG-N 2.89Å; S151-T154 WeakPolarHBondContact CB-OG1 3.35Å; S151-T154 PolarHBondContact O-N 2.82Å; S151-T154 PolarHBondContact OG-N 3.06Å; S151-T154 PolarHBondContact OG-OG1 3Å; S151-N155 CarbonylContact O-C 3.5Å; S151-N155 VanDerWaalsContact O-CA 3.28Å; S151-N155 WeakPolarHBondContact O-CA 3.35Å; S151-N155 PolarHBondContact O-N 2.93Å; S151-H156 PolarHBondContact N-O 2.99Å; S151-H156 PolarHBondContact O-N 2.85Å; S151-H156 VanDerWaalsContact O-N 3.13Å
152	A	96.4	Very high	97.2	Very high	3 Å²	3	48.1 Å²	48.1	3%	0.025	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-29.1	171	0	0	0	0	0	111.8	C23 L24 R27 F33 N121	C23-A152 HydrophobicContact CB-CB 3.69Å; L24-A152 HydrophobicContact CD2-CB 4.13Å; R27-A152 PolarHBondContact NE-O 3.36Å; R27-A152 PolarHBondContact NH2-O 2.55Å; R27-A152 VanDerWaalsContact NH2-O 3.17Å; F33-A152 HydrophobicContact CD2-CB 4.19Å; F33-A152 HydrophobicContact CE2-CB 4.35Å; N121-A152 PolarHBondContact OD1-N 3.04Å
153	F	95.8	Very high	97.3	Very high	117 Å²	117	45.7 Å²	45.7	51%	0.513	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-53.9	178.6	178.1	-119.6	0	0	0	111.6	R27 F33 D124 S151	R27-F153 PolarHBondContact NH2-O 3.41Å; F33-F153 AromaticContact CD1-CD2 3.92Å; F33-F153 HydrophobicContact CD1-CD2 3.92Å; F33-F153 AromaticContact CE1-CD2 3.55Å; F33-F153 HydrophobicContact CE1-CD2 3.55Å; F33-F153 HydrophobicContact CE1-CE2 4.26Å; F33-F153 HydrophobicContact CE2-CB 4.27Å; F33-F153 HydrophobicContact CZ-CB 4.2Å; F33-F153 AromaticContact CZ-CD2 3.97Å; F33-F153 HydrophobicContact CZ-CD2 3.97Å; D124-F153 HydrophobicContact CB-CD1 4.37Å; D124-F153 WeakPolarHBondContact OD2-CD1 3.25Å; S151-F153 PolarHBondContact O-N 3.05Å; S151-F153 PolarHBondContact OG-N 2.89Å
154	T	96.6	Very high	97.5	Very high	79 Å²	79	46.5 Å²	46.5	49%	0.485	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-3.3	-177.2	62.2	0	0	0	0	114.1	D124 S151 H156	D124-T154 HydrophobicContact CB-CG2 3.89Å; S151-T154 WeakPolarHBondContact CB-OG1 3.35Å; S151-T154 PolarHBondContact O-N 2.82Å; S151-T154 PolarHBondContact OG-N 3.06Å; S151-T154 PolarHBondContact OG-OG1 3Å; T154-H156 PolarHBondContact O-N 3.43Å; T154-H156 WeakPolarHBondContact OG1-CB 3.4Å
155	N	97	Very high	97.7	Very high	61 Å²	61	43.1 Å²	43.1	33%	0.326	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	23.2	-171.4	-162.3	28.3	0	0	0	114.1	R27 N31 S151 I158	R27-N155 WeakPolarHBondContact CD-OD1 3.46Å; R27-N155 HydrophobicContact CG-CB 4.24Å; R27-N155 WeakPolarHBondContact CG-OD1 3.4Å; N31-N155 PolarHBondContact OD1-ND2 3.32Å; S151-N155 CarbonylContact O-C 3.5Å; S151-N155 VanDerWaalsContact O-CA 3.28Å; S151-N155 WeakPolarHBondContact O-CA 3.35Å; S151-N155 PolarHBondContact O-N 2.93Å; N155-I158 WeakPolarHBondContact OD1-CB 3.44Å; N155-I158 WeakPolarHBondContact OD1-CG1 3.49Å
156	H	98.2	Very high	97.7	Very high	90 Å²	90	42.5 Å²	42.5	42%	0.417	21%	0.211	S	C	.	.	B	Isolated β-bridge	trans	-74.3	129.9	178.4	179.3	-111.4	0	0	0	111.6	T150 S151 T154 I158	T150-H156 WeakPolarHBondContact CA-O 3.44Å; S151-H156 PolarHBondContact N-O 2.99Å; S151-H156 PolarHBondContact O-N 2.85Å; S151-H156 VanDerWaalsContact O-N 3.13Å; T154-H156 PolarHBondContact O-N 3.43Å; T154-H156 WeakPolarHBondContact OG1-CB 3.4Å; H156-I158 PolarHBondContact O-N 2.96Å; H156-I158 VanDerWaalsContact O-N 3.08Å
157	N	97.9	Very high	97.7	Very high	57 Å²	57	43.6 Å²	43.6	31%	0.305	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	14.4	177.6	-76.1	-16	0	0	0	116.7	E149 T150 T161	E149-N157 VanDerWaalsContact O-CB 3.29Å; E149-N157 WeakPolarHBondContact O-CB 3.32Å; E149-N157 PolarHBondContact O-ND2 2.68Å; T150-N157 HydrophobicContact CG2-CB 3.94Å; N157-T161 VanDerWaalsContact O-CB 3.28Å; N157-T161 WeakPolarHBondContact O-CB 3.41Å; N157-T161 PolarHBondContact O-N 2.88Å; N157-T161 VanDerWaalsContact O-N 3.11Å; N157-T161 PolarHBondContact O-OG1 3.13Å
158	I	97.9	Very high	97.5	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-67.2	-61.1	-178	-56.3	-63.8	0	0	0	110.6	L24 R27 F28 N155 H156 E160 T161 F162	L24-I158 HydrophobicContact CD2-CD1 3.24Å; R27-I158 HydrophobicContact CB-CG2 4.37Å; R27-I158 HydrophobicContact CG-CB 4.37Å; R27-I158 HydrophobicContact CG-CG1 3.89Å; R27-I158 HydrophobicContact CG-CG2 4.09Å; F28-I158 HydrophobicContact CB-CG2 3.68Å; F28-I158 HydrophobicContact CD2-CG2 4.36Å; N155-I158 WeakPolarHBondContact OD1-CB 3.44Å; N155-I158 WeakPolarHBondContact OD1-CG1 3.49Å; H156-I158 PolarHBondContact O-N 2.96Å; H156-I158 VanDerWaalsContact O-N 3.08Å; I158-E160 VanDerWaalsContact C-N 3.29Å; I158-E160 PolarHBondContact O-N 2.89Å; I158-T161 PolarHBondContact O-N 3.26Å; I158-F162 HydrophobicContact CG2-CD2 4.27Å; I158-F162 HydrophobicContact CG2-CE2 4.33Å; I158-F162 WeakPolarHBondContact O-CD2 3.44Å; I158-F162 PolarHBondContact O-N 3.23Å
159	T	96.8	Very high	97.4	Very high	75 Å²	75	41.1 Å²	41.1	46%	0.46	20%	0.204	S	C	.	.	H	α-helix	trans	-60.4	-40	-178.4	-58	0	0	0	0	112.4	F162 T163	T159-F162 PolarHBondContact O-N 3.41Å; T159-T163 VanDerWaalsContact O-CB 3.27Å; T159-T163 WeakPolarHBondContact O-CB 3.38Å; T159-T163 PolarHBondContact O-N 3.33Å; T159-T163 PolarHBondContact O-OG1 3.19Å
160	E	97.8	Very high	97.2	Very high	124 Å²	124	40.4 Å²	40.4	58%	0.579	20%	0.201	S	C	*	.	H	α-helix	trans	-57.4	-52.7	178.1	-164.2	78.4	-177.4	0	0	110.8	F148 I158 F162 T163 R164	F148-E160 HydrophobicContact CE1-CG 3.9Å; I158-E160 VanDerWaalsContact C-N 3.29Å; I158-E160 PolarHBondContact O-N 2.89Å; E160-F162 PolarHBondContact O-N 3.17Å; E160-T163 PolarHBondContact O-N 2.84Å; E160-R164 VanDerWaalsContact O-CB 3.25Å; E160-R164 WeakPolarHBondContact O-CB 3.44Å; E160-R164 PolarHBondContact O-N 2.92Å
161	T	98.3	Very high	96.9	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.012	23%	0.228	C	C	.	.	H	α-helix	trans	-61.3	-44.6	-176.9	-57.4	0	0	0	0	111.8	F85 I117 V119 F148 T150 N157 I158 L165	F85-T161 HydrophobicContact CD1-CG2 4.17Å; F85-T161 HydrophobicContact CE1-CG2 3.93Å; I117-T161 HydrophobicContact CG2-CG2 4.13Å; V119-T161 HydrophobicContact CG2-CG2 3.71Å; F148-T161 HydrophobicContact CB-CG2 4.19Å; F148-T161 VanDerWaalsContact CB-OG1 3.32Å; F148-T161 WeakPolarHBondContact CB-OG1 3.45Å; F148-T161 HydrophobicContact CD2-CG2 4.19Å; F148-T161 HydrophobicContact CG-CG2 4.26Å; F148-T161 WeakPolarHBondContact CG-OG1 3.25Å; T150-T161 WeakPolarHBondContact CG2-OG1 3.48Å; N157-T161 VanDerWaalsContact O-CB 3.28Å; N157-T161 WeakPolarHBondContact O-CB 3.41Å; N157-T161 PolarHBondContact O-N 2.88Å; N157-T161 VanDerWaalsContact O-N 3.11Å; N157-T161 PolarHBondContact O-OG1 3.13Å; I158-T161 PolarHBondContact O-N 3.26Å; T161-L165 PolarHBondContact O-N 2.96Å
162	F	98	Very high	96.5	Very high	5 Å²	5	45.6 Å²	45.6	2%	0.022	24%	0.243	C	C	.	.	H	α-helix	trans	-71	-39.6	-179.7	-82	-94.6	0	0	0	112.9	L13 L24 F28 I61 F85 I158 T159 E160 A166	L13-F162 HydrophobicContact CD2-CE1 4.42Å; L13-F162 HydrophobicContact CD2-CZ 4.09Å; L24-F162 HydrophobicContact CB-CE2 4.32Å; L24-F162 HydrophobicContact CB-CZ 4.42Å; F28-F162 HydrophobicContact CB-CD2 3.92Å; F28-F162 HydrophobicContact CB-CE2 3.86Å; F28-F162 HydrophobicContact CB-CG 4.27Å; F28-F162 HydrophobicContact CB-CZ 4.19Å; F28-F162 HydrophobicContact CD1-CB 4.33Å; F28-F162 AromaticContact CD1-CD1 3.77Å; F28-F162 HydrophobicContact CD1-CD1 3.77Å; F28-F162 HydrophobicContact CD1-CD2 4.42Å; F28-F162 HydrophobicContact CD1-CE1 4.15Å; F28-F162 AromaticContact CD1-CG 3.92Å; F28-F162 HydrophobicContact CD1-CG 3.92Å; F28-F162 HydrophobicContact CD2-CB 3.59Å; F28-F162 HydrophobicContact CD2-CD1 4.39Å; F28-F162 AromaticContact CD2-CD2 3.86Å; F28-F162 HydrophobicContact CD2-CD2 3.86Å; F28-F162 AromaticContact CD2-CG 3.7Å; F28-F162 HydrophobicContact CD2-CG 3.7Å; F28-F162 HydrophobicContact CE1-CB 4.16Å; F28-F162 HydrophobicContact CE1-CD1 4.01Å; F28-F162 HydrophobicContact CE1-CG 4.18Å; F28-F162 HydrophobicContact CE2-CB 3.39Å; F28-F162 AromaticContact CE2-CG 3.98Å; F28-F162 HydrophobicContact CE2-CG 3.98Å; F28-F162 HydrophobicContact CG-CB 4.06Å; F28-F162 AromaticContact CG-CD1 3.97Å; F28-F162 HydrophobicContact CG-CD1 3.97Å; F28-F162 AromaticContact CG-CD2 3.79Å; F28-F162 HydrophobicContact CG-CD2 3.79Å; F28-F162 HydrophobicContact CG-CE1 4.36Å; F28-F162 HydrophobicContact CG-CE2 4.18Å; F28-F162 AromaticContact CG-CG 3.67Å; F28-F162 HydrophobicContact CG-CG 3.67Å; F28-F162 HydrophobicContact CG-CZ 4.44Å; F28-F162 HydrophobicContact CZ-CB 3.69Å; F28-F162 HydrophobicContact CZ-CD1 4.41Å; F28-F162 HydrophobicContact CZ-CG 4.2Å; I61-F162 HydrophobicContact CD1-CD1 3.75Å; I61-F162 HydrophobicContact CD1-CE1 3.62Å; I61-F162 HydrophobicContact CG1-CD1 4.49Å; I61-F162 HydrophobicContact CG1-CE1 4.28Å; I61-F162 HydrophobicContact CG2-CE1 4.24Å; F85-F162 HydrophobicContact CD2-CE1 4.33Å; F85-F162 AromaticContact CE2-CD1 3.68Å; F85-F162 HydrophobicContact CE2-CD1 3.68Å; F85-F162 AromaticContact CE2-CE1 3.6Å; F85-F162 HydrophobicContact CE2-CE1 3.6Å; F85-F162 HydrophobicContact CE2-CG 4.48Å; F85-F162 HydrophobicContact CE2-CZ 4.36Å; F85-F162 HydrophobicContact CZ-CB 4.4Å; F85-F162 AromaticContact CZ-CD1 3.54Å; F85-F162 HydrophobicContact CZ-CD1 3.54Å; F85-F162 AromaticContact CZ-CE1 3.89Å; F85-F162 HydrophobicContact CZ-CE1 3.89Å; F85-F162 AromaticContact CZ-CG 3.93Å; F85-F162 HydrophobicContact CZ-CG 3.93Å; I158-F162 HydrophobicContact CG2-CD2 4.27Å; I158-F162 HydrophobicContact CG2-CE2 4.33Å; I158-F162 WeakPolarHBondContact O-CD2 3.44Å; I158-F162 PolarHBondContact O-N 3.23Å; T159-F162 PolarHBondContact O-N 3.41Å; E160-F162 PolarHBondContact O-N 3.17Å; F162-A166 PolarHBondContact O-N 3.01Å
163	T	97.6	Very high	96	Very high	31 Å²	31	47 Å²	47	19%	0.19	25%	0.251	C	S	.	.	H	α-helix	trans	-64.8	-43.6	176.4	-54.9	0	0	0	0	110.3	T159 E160 L165 A166 E167	T159-T163 VanDerWaalsContact O-CB 3.27Å; T159-T163 WeakPolarHBondContact O-CB 3.38Å; T159-T163 PolarHBondContact O-N 3.33Å; T159-T163 PolarHBondContact O-OG1 3.19Å; E160-T163 PolarHBondContact O-N 2.84Å; T163-L165 PolarHBondContact O-N 2.89Å; T163-A166 WeakPolarHBondContact O-CA 3.18Å; T163-A166 WeakPolarHBondContact O-CB 3.44Å; T163-A166 PolarHBondContact O-N 2.81Å; T163-E167 HydrophobicContact CG2-CG 4.43Å; T163-E167 WeakPolarHBondContact O-CG 3.41Å; T163-E167 PolarHBondContact O-N 3.42Å
164	R	98.1	Very high	95.3	Very high	93 Å²	93	46.9 Å²	46.9	35%	0.351	25%	0.25	S	C	.	.	H	α-helix	trans	-58.1	-44.7	178.9	179.5	58.8	-178.3	165.4	0.4	112.9	I117 D146 F148 E160 A166 E167 Q168	I117-R164 HydrophobicContact CD1-CB 4.1Å; I117-R164 HydrophobicContact CD1-CG 3.76Å; D146-R164 IonicContact OD2-CZ 3.59Å; D146-R164 VanDerWaalsContact OD2-CZ 3.28Å; D146-R164 IonicContact OD2-NE 2.75Å; D146-R164 PolarHBondContact OD2-NE 3.31Å; D146-R164 IonicContact OD2-NH2 2.89Å; D146-R164 PolarHBondContact OD2-NH2 2.62Å; F148-R164 HydrophobicContact CE2-CB 4.26Å; F148-R164 HydrophobicContact CE2-CG 3.88Å; F148-R164 HydrophobicContact CZ-CB 4.11Å; F148-R164 HydrophobicContact CZ-CG 3.88Å; E160-R164 VanDerWaalsContact O-CB 3.25Å; E160-R164 WeakPolarHBondContact O-CB 3.44Å; E160-R164 PolarHBondContact O-N 2.92Å; R164-A166 VanDerWaalsContact C-N 3.34Å; R164-A166 PolarHBondContact O-N 3.03Å; R164-E167 IonicContact NH1-OE2 3.84Å; R164-E167 WeakPolarHBondContact O-CB 3.36Å; R164-E167 PolarHBondContact O-N 3.33Å; R164-Q168 WeakPolarHBondContact O-CG 3.38Å; R164-Q168 PolarHBondContact O-N 2.84Å
165	L	98	Very high	94.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.8	-41.1	176.1	-176.4	61.8	0	0	0	111.2	L11 F85 Q115 I117 T161 T163 E167 Q168 V169	L11-L165 HydrophobicContact CD1-CD2 4.32Å; L11-L165 HydrophobicContact CD2-CD2 3.96Å; L11-L165 HydrophobicContact CD2-CG 4.21Å; F85-L165 HydrophobicContact CD1-CD2 3.92Å; F85-L165 HydrophobicContact CD2-CD2 3.81Å; F85-L165 HydrophobicContact CE1-CB 3.71Å; F85-L165 HydrophobicContact CE1-CD2 3.51Å; F85-L165 HydrophobicContact CE1-CG 4.25Å; F85-L165 HydrophobicContact CE2-CD2 3.4Å; F85-L165 VanDerWaalsContact CE2-CD2 3.4Å; F85-L165 HydrophobicContact CG-CD2 4.06Å; F85-L165 HydrophobicContact CZ-CB 3.7Å; F85-L165 HydrophobicContact CZ-CD2 3.23Å; F85-L165 HydrophobicContact CZ-CG 4.09Å; Q115-L165 HydrophobicContact CB-CD1 3.7Å; I117-L165 HydrophobicContact CD1-CB 3.74Å; I117-L165 HydrophobicContact CD1-CD1 4.33Å; I117-L165 HydrophobicContact CG1-CB 4.34Å; I117-L165 HydrophobicContact CG1-CD1 4.06Å; T161-L165 PolarHBondContact O-N 2.96Å; T163-L165 PolarHBondContact O-N 2.89Å; L165-E167 VanDerWaalsContact C-N 3.31Å; L165-E167 PolarHBondContact O-N 3.19Å; L165-Q168 PolarHBondContact O-N 3.28Å; L165-V169 HydrophobicContact CD1-CG2 4.44Å; L165-V169 HydrophobicContact CG-CG2 4.47Å; L165-V169 VanDerWaalsContact O-CG2 3.29Å; L165-V169 WeakPolarHBondContact O-CG2 3.44Å; L165-V169 PolarHBondContact O-N 3.31Å
166	A	97.1	Very high	93.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.7	-38.2	177.7	0	0	0	0	0	112.1	F9 L50 I52 I59 F162 T163 R164 V169 L170	F9-A166 WeakPolarHBondContact CE2-O 3.44Å; L50-A166 HydrophobicContact CD1-CB 4.22Å; I52-A166 HydrophobicContact CD1-CB 3.52Å; I59-A166 HydrophobicContact CG2-CB 4.22Å; F162-A166 PolarHBondContact O-N 3.01Å; T163-A166 WeakPolarHBondContact O-CA 3.18Å; T163-A166 WeakPolarHBondContact O-CB 3.44Å; T163-A166 PolarHBondContact O-N 2.81Å; R164-A166 VanDerWaalsContact C-N 3.34Å; R164-A166 PolarHBondContact O-N 3.03Å; A166-V169 PolarHBondContact O-N 3.06Å; A166-L170 WeakPolarHBondContact O-CB 3.5Å; A166-L170 PolarHBondContact O-N 2.95Å
167	E	96.6	Very high	92	Very high	74 Å²	74	49.1 Å²	49.1	35%	0.346	25%	0.254	S	S	.	.	H	α-helix	trans	-62.9	-46.6	172.3	-72	170.4	176.3	0	0	112.3	I52 T163 R164 L165 V169 L170 A171	I52-E167 HydrophobicContact CD1-CG 4.35Å; I52-E167 HydrophobicContact CG2-CG 3.7Å; T163-E167 HydrophobicContact CG2-CG 4.43Å; T163-E167 WeakPolarHBondContact O-CG 3.41Å; T163-E167 PolarHBondContact O-N 3.42Å; R164-E167 IonicContact NH1-OE2 3.84Å; R164-E167 WeakPolarHBondContact O-CB 3.36Å; R164-E167 PolarHBondContact O-N 3.33Å; L165-E167 VanDerWaalsContact C-N 3.31Å; L165-E167 PolarHBondContact O-N 3.19Å; E167-V169 VanDerWaalsContact C-N 3.3Å; E167-V169 PolarHBondContact O-N 3.02Å; E167-L170 PolarHBondContact O-N 3Å; E167-A171 WeakPolarHBondContact O-CB 3.41Å; E167-A171 PolarHBondContact O-N 3.4Å
168	Q	96.3	Very high	90.9	Very high	25 Å²	25	49.4 Å²	49.4	12%	0.117	26%	0.255	C	S	.	.	H	α-helix	trans	-58.7	-44.5	176.3	-72.5	-179.6	-20.9	0	0	111	Q115 D146 R164 L165 A171 A172	Q115-Q168 HydrophobicContact CB-CB 4.04Å; Q115-Q168 HydrophobicContact CG-CB 3.94Å; D146-Q168 PolarHBondContact OD2-NE2 3.32Å; R164-Q168 WeakPolarHBondContact O-CG 3.38Å; R164-Q168 PolarHBondContact O-N 2.84Å; L165-Q168 PolarHBondContact O-N 3.28Å; Q168-A171 PolarHBondContact O-N 3.31Å; Q168-A172 WeakPolarHBondContact O-CB 3.27Å; Q168-A172 PolarHBondContact O-N 3.18Å
169	V	95.8	Very high	89.5	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.7	-43.7	176.9	174.6	0	0	0	0	110.7	F9 L11 Q82 Q115 L165 A166 E167 A171 A172 N173	F9-V169 HydrophobicContact CB-CG1 4.26Å; F9-V169 HydrophobicContact CD1-CG1 3.73Å; F9-V169 HydrophobicContact CD2-CB 4.04Å; F9-V169 HydrophobicContact CD2-CG1 3.69Å; F9-V169 HydrophobicContact CE1-CG1 3.93Å; F9-V169 HydrophobicContact CE2-CB 4.15Å; F9-V169 HydrophobicContact CE2-CG1 3.88Å; F9-V169 HydrophobicContact CG-CB 4.44Å; F9-V169 HydrophobicContact CG-CG1 3.63Å; F9-V169 HydrophobicContact CZ-CG1 4.01Å; L11-V169 HydrophobicContact CD2-CG2 4.27Å; Q82-V169 HydrophobicContact CB-CG1 3.76Å; Q82-V169 HydrophobicContact CB-CG2 4.43Å; Q82-V169 WeakPolarHBondContact O-CG2 3.4Å; Q115-V169 HydrophobicContact CB-CG2 3.91Å; Q115-V169 HydrophobicContact CG-CG2 3.94Å; L165-V169 HydrophobicContact CD1-CG2 4.44Å; L165-V169 HydrophobicContact CG-CG2 4.47Å; L165-V169 VanDerWaalsContact O-CG2 3.29Å; L165-V169 WeakPolarHBondContact O-CG2 3.44Å; L165-V169 PolarHBondContact O-N 3.31Å; A166-V169 PolarHBondContact O-N 3.06Å; E167-V169 VanDerWaalsContact C-N 3.3Å; E167-V169 PolarHBondContact O-N 3.02Å; V169-A171 PolarHBondContact O-N 3.22Å; V169-A172 PolarHBondContact O-N 3.32Å; V169-N173 PolarHBondContact O-N 2.86Å; V169-N173 VanDerWaalsContact O-N 3.14Å; V169-N173 PolarHBondContact O-ND2 3.24Å
170	L	93.8	Very high	88	Confident	11 Å²	11	56 Å²	56	6%	0.058	29%	0.287	C	S	.	.	H	α-helix	trans	-60.4	-46.5	176.9	-176.3	63.6	0	0	0	111.4	F9 I52 I55 A166 E167 N173 K174 L177	F9-L170 HydrophobicContact CE2-CB 3.88Å; F9-L170 HydrophobicContact CE2-CD1 4.39Å; F9-L170 HydrophobicContact CZ-CB 3.9Å; F9-L170 HydrophobicContact CZ-CD1 3.78Å; F9-L170 HydrophobicContact CZ-CG 4.46Å; I52-L170 HydrophobicContact CB-CD2 4.2Å; I52-L170 HydrophobicContact CG2-CD2 3.76Å; I55-L170 HydrophobicContact CD1-CD1 4.15Å; I55-L170 HydrophobicContact CD1-CD2 4.26Å; A166-L170 WeakPolarHBondContact O-CB 3.5Å; A166-L170 PolarHBondContact O-N 2.95Å; E167-L170 PolarHBondContact O-N 3Å; L170-N173 CarbonylContact O-C 3.52Å; L170-N173 PolarHBondContact O-N 2.97Å; L170-K174 WeakPolarHBondContact O-CA 3.34Å; L170-K174 PolarHBondContact O-N 2.84Å; L170-L177 HydrophobicContact CD1-CD1 3.49Å; L170-L177 VanDerWaalsContact CD1-CD1 3.49Å
171	A	92.8	Very high	86.5	Confident	69 Å²	69	55.6 Å²	55.6	57%	0.57	28%	0.28	S	S	*	.	H	α-helix	trans	-62.4	-43.6	178.4	0	0	0	0	0	112.1	E167 Q168 V169 N173 K174	E167-A171 WeakPolarHBondContact O-CB 3.41Å; E167-A171 PolarHBondContact O-N 3.4Å; Q168-A171 PolarHBondContact O-N 3.31Å; V169-A171 PolarHBondContact O-N 3.22Å; A171-N173 PolarHBondContact O-N 3.37Å; A171-K174 WeakPolarHBondContact O-CB 3.36Å; A171-K174 PolarHBondContact O-N 3.11Å
172	A	90.6	Very high	84.9	Confident	40 Å²	40	60 Å²	60	33%	0.331	30%	0.302	S	S	.	.	H	α-helix	trans	-63.8	-28.9	178.6	0	0	0	0	0	113.2	Q115 Q168 V169	Q115-A172 HydrophobicContact CG-CB 4.2Å; Q168-A172 WeakPolarHBondContact O-CB 3.27Å; Q168-A172 PolarHBondContact O-N 3.18Å; V169-A172 PolarHBondContact O-N 3.32Å
173	N	85	Confident	83.2	Confident	34 Å²	34	62.1 Å²	62.1	18%	0.182	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	3.9	-179.9	-63.4	-74.5	0	0	0	113.2	V169 L170 A171 K175 D176 L177	V169-N173 PolarHBondContact O-N 2.86Å; V169-N173 VanDerWaalsContact O-N 3.14Å; V169-N173 PolarHBondContact O-ND2 3.24Å; L170-N173 CarbonylContact O-C 3.52Å; L170-N173 PolarHBondContact O-N 2.97Å; A171-N173 PolarHBondContact O-N 3.37Å; N173-K175 VanDerWaalsContact C-N 3.32Å; N173-K175 PolarHBondContact O-N 2.77Å; N173-D176 PolarHBondContact O-N 3.07Å; N173-L177 WeakPolarHBondContact O-CG 3.18Å; N173-L177 PolarHBondContact O-N 3.02Å
174	K	80.8	Confident	81.6	Confident	113 Å²	113	64.5 Å²	64.5	49%	0.491	33%	0.329	S	S	.	.	H	α-helix	trans	-58.5	-40.6	-171.5	-167.8	170.1	-178.2	169.4	0	112.9	L170 A171 D176 L177 D178	L170-K174 WeakPolarHBondContact O-CA 3.34Å; L170-K174 PolarHBondContact O-N 2.84Å; A171-K174 WeakPolarHBondContact O-CB 3.36Å; A171-K174 PolarHBondContact O-N 3.11Å; K174-D176 VanDerWaalsContact C-N 3.35Å; K174-D176 PolarHBondContact O-N 3.37Å; K174-L177 PolarHBondContact O-N 3.06Å; K174-D178 WeakPolarHBondContact O-CB 3.37Å; K174-D178 PolarHBondContact O-N 2.66Å
175	K	74.8	Confident	80.1	Confident	172 Å²	172	64.6 Å²	64.6	75%	0.748	34%	0.337	S	S	*	.	H	α-helix	trans	-60.6	-43	176.2	-66.9	-176.2	179.7	179.1	0	112.4	N173 L177 D178 L179	N173-K175 VanDerWaalsContact C-N 3.32Å; N173-K175 PolarHBondContact O-N 2.77Å; K175-L177 VanDerWaalsContact C-N 3.31Å; K175-D178 PolarHBondContact O-N 3.2Å; K175-L179 VanDerWaalsContact O-CG 3.28Å; K175-L179 WeakPolarHBondContact O-CG 3.48Å; K175-L179 PolarHBondContact O-N 2.97Å; K175-L179 VanDerWaalsContact O-N 3.1Å
176	D	74.2	Confident	78.6	Confident	73 Å²	73	68.5 Å²	68.5	39%	0.39	36%	0.357	S	S	.	.	H	α-helix	trans	-69.2	-34.6	179.7	-58.1	-28.4	0	0	0	110.7	N173 K174 L180	N173-D176 PolarHBondContact O-N 3.07Å; K174-D176 VanDerWaalsContact C-N 3.35Å; K174-D176 PolarHBondContact O-N 3.37Å; D176-L180 WeakPolarHBondContact O-CG 3.46Å; D176-L180 PolarHBondContact O-N 3.38Å; D176-L180 VanDerWaalsContact O-N 3.17Å
177	L	73.3	Confident	77.1	Confident	32 Å²	32	74.6 Å²	74.6	17%	0.168	39%	0.386	C	S	.	.	H	α-helix	trans	-72.9	-38	175.7	-67.2	175	0	0	0	113.4	V7 L170 N173 K174 K175 L179 L180 R181	V7-L177 HydrophobicContact CG1-CD1 3.98Å; V7-L177 HydrophobicContact CG1-CD2 3.42Å; V7-L177 VanDerWaalsContact CG1-CD2 3.42Å; V7-L177 HydrophobicContact CG1-CG 4.35Å; L170-L177 HydrophobicContact CD1-CD1 3.49Å; L170-L177 VanDerWaalsContact CD1-CD1 3.49Å; N173-L177 WeakPolarHBondContact O-CG 3.18Å; N173-L177 PolarHBondContact O-N 3.02Å; K174-L177 PolarHBondContact O-N 3.06Å; K175-L177 VanDerWaalsContact C-N 3.31Å; L177-L179 VanDerWaalsContact C-N 3.34Å; L177-L180 PolarHBondContact O-N 2.82Å; L177-R181 WeakPolarHBondContact O-CB 3.38Å; L177-R181 WeakPolarHBondContact O-CG 3.49Å; L177-R181 PolarHBondContact O-N 2.71Å
178	D	75.4	Confident	75.6	Confident	64 Å²	64	76.1 Å²	76.1	34%	0.342	40%	0.396	S	S	.	.	H	α-helix	trans	-66.3	-40.1	176.8	-70.3	-22.4	0	0	0	110.2	K174 K175 R181 I182	K174-D178 WeakPolarHBondContact O-CB 3.37Å; K174-D178 PolarHBondContact O-N 2.66Å; K175-D178 PolarHBondContact O-N 3.2Å; D178-R181 PolarHBondContact O-N 3.14Å; D178-I182 WeakPolarHBondContact O-CD1 3.31Å; D178-I182 VanDerWaalsContact O-CG1 3.27Å; D178-I182 WeakPolarHBondContact O-CG1 3.46Å; D178-I182 PolarHBondContact O-N 2.67Å
179	L	69.2	Low	74.2	Confident	115 Å²	115	79.5 Å²	79.5	60%	0.602	42%	0.415	S	S	*	.	H	α-helix	trans	-61.6	-43.5	173	-71.1	170	0	0	0	112.5	K175 L177 R181 I182 S183	K175-L179 VanDerWaalsContact O-CG 3.28Å; K175-L179 WeakPolarHBondContact O-CG 3.48Å; K175-L179 PolarHBondContact O-N 2.97Å; K175-L179 VanDerWaalsContact O-N 3.1Å; L177-L179 VanDerWaalsContact C-N 3.34Å; L179-R181 VanDerWaalsContact C-N 3.34Å; L179-I182 PolarHBondContact O-N 2.9Å; L179-S183 PolarHBondContact O-N 2.78Å
180	L	64.9	Low	72.8	Confident	100 Å²	100	84.4 Å²	84.4	52%	0.524	44%	0.44	S	S	.	.	H	α-helix	trans	-66.5	-34.7	175.4	-75	167.2	0	0	0	112.5	D176 L177 S183 L184	D176-L180 WeakPolarHBondContact O-CG 3.46Å; D176-L180 PolarHBondContact O-N 3.38Å; D176-L180 VanDerWaalsContact O-N 3.17Å; L177-L180 PolarHBondContact O-N 2.82Å; L180-S183 PolarHBondContact O-OG 3.15Å; L180-S183 VanDerWaalsContact O-OG 3.08Å; L180-L184 WeakPolarHBondContact O-CB 3.38Å; L180-L184 WeakPolarHBondContact O-CD1 3.26Å; L180-L184 VanDerWaalsContact O-CG 3.25Å; L180-L184 WeakPolarHBondContact O-CG 3.23Å; L180-L184 PolarHBondContact O-N 3.25Å; L180-L184 VanDerWaalsContact O-N 3.07Å
181	R	65.4	Low	71.4	Confident	114 Å²	114	87 Å²	87	43%	0.43	46%	0.457	S	S	.	.	H	α-helix	trans	-68.1	-40.4	174.9	-84.3	179.3	166.2	171.8	-5.5	111.9	L177 D178 L179 N185	L177-R181 WeakPolarHBondContact O-CB 3.38Å; L177-R181 WeakPolarHBondContact O-CG 3.49Å; L177-R181 PolarHBondContact O-N 2.71Å; D178-R181 PolarHBondContact O-N 3.14Å; L179-R181 VanDerWaalsContact C-N 3.34Å; R181-N185 WeakPolarHBondContact O-CB 3.14Å; R181-N185 PolarHBondContact O-N 3.34Å
182	I	64.8	Low	70.2	Confident	95 Å²	95	86 Å²	86	49%	0.487	45%	0.448	S	S	.	.	H	α-helix	trans	-61.8	-49.1	174.9	-69.3	160	0	0	0	109.5	D178 L179 L184 N185 D186	D178-I182 WeakPolarHBondContact O-CD1 3.31Å; D178-I182 VanDerWaalsContact O-CG1 3.27Å; D178-I182 WeakPolarHBondContact O-CG1 3.46Å; D178-I182 PolarHBondContact O-N 2.67Å; L179-I182 PolarHBondContact O-N 2.9Å; I182-L184 VanDerWaalsContact C-N 3.34Å; I182-L184 PolarHBondContact O-N 3.37Å; I182-N185 PolarHBondContact O-N 2.92Å; I182-D186 WeakPolarHBondContact O-CB 3.45Å; I182-D186 VanDerWaalsContact O-CG 3.32Å; I182-D186 PolarHBondContact O-N 3.31Å
183	S	62.8	Low	68.8	Low	50 Å²	50	89 Å²	89	35%	0.35	46%	0.458	S	S	.	.	H	α-helix	trans	-61.8	-40.2	-179.4	77.9	0	0	0	0	113	L179 L180 D186 E187	L179-S183 PolarHBondContact O-N 2.78Å; L180-S183 PolarHBondContact O-OG 3.15Å; L180-S183 VanDerWaalsContact O-OG 3.08Å; S183-D186 PolarHBondContact O-N 3.21Å; S183-E187 WeakPolarHBondContact O-CG 2.92Å; S183-E187 PolarHBondContact O-N 2.93Å
184	L	63.9	Low	67.7	Low	80 Å²	80	93.6 Å²	93.6	42%	0.419	48%	0.479	S	S	.	.	H	α-helix	trans	-68.5	-37.8	177.3	-73.7	167.2	0	0	0	112.3	L180 I182 L188	L180-L184 WeakPolarHBondContact O-CB 3.38Å; L180-L184 WeakPolarHBondContact O-CD1 3.26Å; L180-L184 VanDerWaalsContact O-CG 3.25Å; L180-L184 WeakPolarHBondContact O-CG 3.23Å; L180-L184 PolarHBondContact O-N 3.25Å; L180-L184 VanDerWaalsContact O-N 3.07Å; I182-L184 VanDerWaalsContact C-N 3.34Å; I182-L184 PolarHBondContact O-N 3.37Å; L184-L188 WeakPolarHBondContact O-CB 3.18Å; L184-L188 WeakPolarHBondContact O-CD1 3.11Å; L184-L188 VanDerWaalsContact O-CG 3.26Å; L184-L188 WeakPolarHBondContact O-CG 3.15Å; L184-L188 PolarHBondContact O-N 3.46Å
185	N	67.6	Low	66.6	Low	96 Å²	96	95.3 Å²	95.3	51%	0.513	49%	0.489	S	S	.	.	H	α-helix	trans	-69.2	-36.9	175.1	-83.1	7.8	0	0	0	111.5	R181 I182 L188 N189	R181-N185 WeakPolarHBondContact O-CB 3.14Å; R181-N185 PolarHBondContact O-N 3.34Å; I182-N185 PolarHBondContact O-N 2.92Å; N185-L188 PolarHBondContact O-N 2.98Å; N185-N189 VanDerWaalsContact O-CB 3.25Å; N185-N189 WeakPolarHBondContact O-CB 3.32Å; N185-N189 PolarHBondContact O-N 2.59Å; N185-N189 PolarHBondContact O-ND2 3.42Å
186	D	65.1	Low	65.7	Low	82 Å²	82	93.9 Å²	93.9	44%	0.439	49%	0.485	S	S	.	.	H	α-helix	trans	-66.4	-41.9	175.1	-71.2	-20.1	0	0	0	111.1	I182 S183 N189 L190	I182-D186 WeakPolarHBondContact O-CB 3.45Å; I182-D186 VanDerWaalsContact O-CG 3.32Å; I182-D186 PolarHBondContact O-N 3.31Å; S183-D186 PolarHBondContact O-N 3.21Å; D186-N189 PolarHBondContact O-N 3.01Å; D186-L190 WeakPolarHBondContact O-CB 3.47Å; D186-L190 WeakPolarHBondContact O-CD1 3.3Å; D186-L190 PolarHBondContact O-N 2.92Å
187	E	66.3	Low	64.8	Low	127 Å²	127	97.7 Å²	97.7	59%	0.593	50%	0.5	S	S	*	.	H	α-helix	trans	-62.1	-45.5	172.8	-78.4	179.2	177.3	0	0	112.2	S183 N189 L190 T191	S183-E187 WeakPolarHBondContact O-CG 2.92Å; S183-E187 PolarHBondContact O-N 2.93Å; E187-N189 VanDerWaalsContact C-N 3.34Å; E187-N189 PolarHBondContact O-N 3.35Å; E187-L190 PolarHBondContact O-N 3.37Å; E187-T191 WeakPolarHBondContact O-CG2 3.49Å; E187-T191 PolarHBondContact O-N 2.69Å; E187-T191 PolarHBondContact O-OG1 2.99Å
188	L	65.2	Low	63.6	Low	107 Å²	107	99.2 Å²	99.2	56%	0.56	52%	0.523	S	S	*	.	H	α-helix	trans	-63.5	-40.2	177.1	-76	165.5	0	0	0	112	L184 N185 T191 A192	L184-L188 WeakPolarHBondContact O-CB 3.18Å; L184-L188 WeakPolarHBondContact O-CD1 3.11Å; L184-L188 VanDerWaalsContact O-CG 3.26Å; L184-L188 WeakPolarHBondContact O-CG 3.15Å; L184-L188 PolarHBondContact O-N 3.46Å; N185-L188 PolarHBondContact O-N 2.98Å; L188-T191 WeakPolarHBondContact CA-OG1 3.31Å; L188-T191 PolarHBondContact O-N 3.37Å; L188-T191 PolarHBondContact O-OG1 3.17Å; L188-A192 WeakPolarHBondContact O-CB 3.34Å; L188-A192 PolarHBondContact O-N 3.07Å
189	N	67.4	Low	62.4	Low	95 Å²	95	103.6 Å²	103.6	51%	0.508	55%	0.546	S	S	.	.	H	α-helix	trans	-67.3	-41.2	175.8	-73.9	-23.6	0	0	0	111.4	N185 D186 E187 A192 L193	N185-N189 VanDerWaalsContact O-CB 3.25Å; N185-N189 WeakPolarHBondContact O-CB 3.32Å; N185-N189 PolarHBondContact O-N 2.59Å; N185-N189 PolarHBondContact O-ND2 3.42Å; D186-N189 PolarHBondContact O-N 3.01Å; E187-N189 VanDerWaalsContact C-N 3.34Å; E187-N189 PolarHBondContact O-N 3.35Å; N189-A192 PolarHBondContact O-N 3.19Å; N189-L193 WeakPolarHBondContact O-CB 3.32Å; N189-L193 WeakPolarHBondContact O-CG 3.22Å; N189-L193 PolarHBondContact O-N 3.12Å
190	L	65.7	Low	61.1	Low	103 Å²	103	102.8 Å²	102.8	54%	0.539	55%	0.549	S	S	.	.	H	α-helix	trans	-60.9	-45.7	173.6	-101.3	95.3	0	0	0	111.4	D186 E187 A192 L193 E194	D186-L190 WeakPolarHBondContact O-CB 3.47Å; D186-L190 WeakPolarHBondContact O-CD1 3.3Å; D186-L190 PolarHBondContact O-N 2.92Å; E187-L190 PolarHBondContact O-N 3.37Å; L190-A192 VanDerWaalsContact C-N 3.3Å; L190-A192 PolarHBondContact O-N 2.98Å; L190-L193 PolarHBondContact O-N 3.41Å; L190-E194 WeakPolarHBondContact O-CG 3.3Å; L190-E194 PolarHBondContact O-N 3.02Å
191	T	65.1	Low	60.1	Low	67 Å²	67	106.4 Å²	106.4	41%	0.411	57%	0.569	S	S	.	*	H	α-helix	trans	-63.6	-35.9	177.7	51.9	0	0	0	0	112.5	E187 L188 E195	E187-T191 WeakPolarHBondContact O-CG2 3.49Å; E187-T191 PolarHBondContact O-N 2.69Å; E187-T191 PolarHBondContact O-OG1 2.99Å; L188-T191 WeakPolarHBondContact CA-OG1 3.31Å; L188-T191 PolarHBondContact O-N 3.37Å; L188-T191 PolarHBondContact O-OG1 3.17Å; T191-E195 WeakPolarHBondContact O-CG 3.44Å; T191-E195 PolarHBondContact O-N 3.44Å; T191-E195 VanDerWaalsContact O-N 3.12Å
192	A	66.4	Low	59.2	Low	47 Å²	47	104.4 Å²	104.4	39%	0.388	58%	0.584	S	S	.	*	H	α-helix	trans	-69.3	-34.9	176	0	0	0	0	0	112.2	L188 N189 L190 E196	L188-A192 WeakPolarHBondContact O-CB 3.34Å; L188-A192 PolarHBondContact O-N 3.07Å; N189-A192 PolarHBondContact O-N 3.19Å; L190-A192 VanDerWaalsContact C-N 3.3Å; L190-A192 PolarHBondContact O-N 2.98Å; A192-E196 PolarHBondContact O-N 3.22Å
193	L	60.9	Low	58.4	Low	103 Å²	103	105.2 Å²	105.2	54%	0.539	60%	0.598	S	S	.	*	H	α-helix	trans	-72.2	-38.5	175.8	-68.9	169.2	0	0	0	112	N189 L190 E195 E196 E197	N189-L193 WeakPolarHBondContact O-CB 3.32Å; N189-L193 WeakPolarHBondContact O-CG 3.22Å; N189-L193 PolarHBondContact O-N 3.12Å; L190-L193 PolarHBondContact O-N 3.41Å; L193-E195 VanDerWaalsContact C-N 3.31Å; L193-E195 PolarHBondContact O-N 3.48Å; L193-E196 PolarHBondContact O-N 3.2Å; L193-E197 PolarHBondContact O-N 3.01Å
194	E	63.6	Low	57.4	Low	130 Å²	130	109.1 Å²	109.1	61%	0.607	63%	0.625	S	S	*	*	H	α-helix	trans	-64.8	-34.2	174.4	-72.3	176	170.4	0	0	112.2	L190 G198	L190-E194 WeakPolarHBondContact O-CG 3.3Å; L190-E194 PolarHBondContact O-N 3.02Å; E194-G198 PolarHBondContact O-N 3.08Å
195	E	57.3	Low	56.1	Low	150 Å²	150	109 Å²	109	70%	0.701	64%	0.644	S	S	*	*	H	α-helix	trans	-69.7	-32.1	173.6	-75.6	179	176.5	0	0	112.9	T191 L193	T191-E195 WeakPolarHBondContact O-CG 3.44Å; T191-E195 PolarHBondContact O-N 3.44Å; T191-E195 VanDerWaalsContact O-N 3.12Å; L193-E195 VanDerWaalsContact C-N 3.31Å; L193-E195 PolarHBondContact O-N 3.48Å
196	E	55.5	Low	54.7	Low	142 Å²	142	111.1 Å²	111.1	66%	0.664	66%	0.655	S	S	*	*	H	α-helix	trans	-76.4	-39.3	174.6	-75.3	-168.1	168.3	0	0	112.6	A192 L193 G198 L199 C200	A192-E196 PolarHBondContact O-N 3.22Å; L193-E196 PolarHBondContact O-N 3.2Å; E196-G198 VanDerWaalsContact C-N 3.32Å; E196-G198 PolarHBondContact O-N 3.44Å; E196-L199 PolarHBondContact O-N 3.18Å; E196-C200 PolarHBondContact O-SG 3.28Å; E196-C200 VanDerWaalsContact O-SG 3.39Å
197	E	54.3	Low	53.7	Low	152 Å²	152	114.1 Å²	114.1	71%	0.71	67%	0.666	S	S	*	*	H	α-helix	trans	-68	-30.8	177.5	-72.6	-167.2	162.8	0	0	112.6	L193 L199 C200	L193-E197 PolarHBondContact O-N 3.01Å; E197-L199 PolarHBondContact O-N 3.03Å; E197-C200 PolarHBondContact O-N 3.16Å; E197-C200 PolarHBondContact O-SG 3.11Å
198	G	48.6	Very low	52.4	Low	64 Å²	64	116.5 Å²	116.5	66%	0.66	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-9	174.6	0	0	0	0	0	115.4	E194 E196	E194-G198 PolarHBondContact O-N 3.08Å; E196-G198 VanDerWaalsContact C-N 3.32Å; E196-G198 PolarHBondContact O-N 3.44Å
199	L	49.7	Very low	51.5	Low	157 Å²	157	120.9 Å²	120.9	82%	0.822	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	-3	179.9	-127.7	81.1	0	0	0	113.9	E196 E197	E196-L199 PolarHBondContact O-N 3.18Å; E197-L199 PolarHBondContact O-N 3.03Å
200	C	43.3	Very low	50.1	Low	98 Å²	98	121.3 Å²	121.3	66%	0.662	71%	0.708	S	S	*	*	S	Bend	trans	-94.7	-11.1	-170.1	-41.5	0	0	0	0	115.5	E196 E197 G202	E196-C200 PolarHBondContact O-SG 3.28Å; E196-C200 VanDerWaalsContact O-SG 3.39Å; E197-C200 PolarHBondContact O-N 3.16Å; E197-C200 PolarHBondContact O-SG 3.11Å; C200-G202 PolarHBondContact O-N 3.35Å
201	D	44	Very low	48.9	Very low	175 Å²	175	121.8 Å²	121.8	94%	0.936	72%	0.719	S	S	*	*	S	Bend	trans	-105.2	73	-171.2	-132.3	13.1	0	0	0	111.2
202	G	46.4	Very low	47.5	Very low	73 Å²	73	129.6 Å²	129.6	75%	0.753	74%	0.741	S	S	*	*			trans	-166.6	33.2	-172.2	0	0	0	0	0	117	C200	C200-G202 PolarHBondContact O-N 3.35Å
203	S	47.5	Very low	46.5	Very low	111 Å²	111	136.6 Å²	136.6	78%	0.776	79%	0.785	S	S	*	*			trans	-154.5	109.5	160.1	65.8	0	0	0	0	113.8
204	S	41	Very low	45.8	Very low	133 Å²	133	138.3 Å²	138.3	93%	0.93	80%	0.797	S	S	*	*			trans	-157.1	116.5	153.8	-69.7	0	0	0	0	109.8
205	G	36.6	Very low	44.8	Very low	78 Å²	78	138.7 Å²	138.7	80%	0.804	81%	0.807	S	S	*	*			trans	116.4	71	147.6	0	0	0	0	0	119.9
206	D	39.5	Very low	44.1	Very low	140 Å²	140	138.1 Å²	138.1	75%	0.749	81%	0.813	S	S	*	*				32.7	135.7	127.1	-122.8	-12.8	0	0	0	124.1
207	Q	43.1	Very low	43.5	Very low	145 Å²	145	137.9 Å²	137.9	68%	0.678	82%	0.822	S	S	*	*			trans	60.6	116.5	148.8	-77.6	159.7	46.8	0	0	121.6
208	Q	39.4	Very low	42.8	Very low	177 Å²	177	137 Å²	137	83%	0.827	83%	0.829	S	S	*	*				175.4	147.9	87.9	-120.2	159.1	16.2	0	0	114
209	K	46.8	Very low	42.4	Very low	199 Å²	199	141.9 Å²	141.9	87%	0.865	84%	0.84	S	S	*	*			trans	-19.8	139.4	166.6	-62.5	171	176.3	176.5	0	117.8
210	A	37.6	Very low	41.9	Very low	103 Å²	103	140.8 Å²	140.8	85%	0.851	84%	0.842	S	S	*	*				174	146.4	104.6	0	0	0	0	0	112.4
211	C	39.6	Very low	41.8	Very low	113 Å²	113	144.1 Å²	144.1	76%	0.764	86%	0.856	S	S	*	*			trans	-84.4	142.4	175.2	-160.9	0	0	0	0	110
212	W	37.2	Very low	41.6	Very low	232 Å²	232	141.5 Å²	141.5	88%	0.879	85%	0.849	S	S	*	*				164.3	142.6	125.5	-101.1	23.2	0	0	0	114.5
213	C	44.5	Very low	41.2	Very low	194 Å²	194	147.7 Å²	147.7	100%	1.311	86%	0.858	S	S	*	*			trans	70.9	0	164.2	-65.6	0	0	0	0	119

Retrieved 213 of 213 residues in 269.3 ms (Link to these results)

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