A0A077YX98_TRITR Loading...

Probable ubiquitin-conjugating enzyme E2 W

AlphaFold DB , UniProt , Accession A0A077YX98, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 168 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47	Very low	81.6	Confident	241 Å²	241	93.4 Å²	93.4	100%	1.187	46%	0.457	S	S	*	.				0	113.8	0	-173	179.1	-75.4	0	0	106.7	D3	M1-D3 PolarHBondContact O-N 3.34Å
2	V	61.1	Low	82.4	Confident	113 Å²	113	85.9 Å²	85.9	69%	0.685	42%	0.42	S	S	*	.			trans	-67.8	123.4	-179.3	178.2	0	0	0	0	108	R4 K7	V2-R4 PolarHBondContact O-N 2.99Å; V2-K7 HydrophobicContact CG1-CB 4.36Å
3	D	83.3	Confident	82.8	Confident	54 Å²	54	81.2 Å²	81.2	29%	0.289	40%	0.398	S	S	.	.			trans	-61.5	112.1	174.8	-173.2	-25.3	0	0	0	108.2	M1 V5 V6 K7 R35	M1-D3 PolarHBondContact O-N 3.34Å; D3-V5 PolarHBondContact O-N 2.93Å; D3-V5 VanDerWaalsContact OD1-CB 3.23Å; D3-V5 WeakPolarHBondContact OD1-CB 3.3Å; D3-V5 WeakPolarHBondContact OD1-CG2 3.46Å; D3-V5 PolarHBondContact OD1-N 2.87Å; D3-V6 HydrophobicContact CB-CB 3.99Å; D3-V6 HydrophobicContact CB-CG2 3.77Å; D3-V6 PolarHBondContact O-N 3.05Å; D3-V6 PolarHBondContact OD1-N 3.15Å; D3-K7 PolarHBondContact O-N 2.81Å; D3-R35 IonicContact OD2-CZ 3.78Å; D3-R35 IonicContact OD2-NE 3.95Å; D3-R35 IonicContact OD2-NH2 2.81Å; D3-R35 PolarHBondContact OD2-NH2 2.81Å
4	R	86.2	Confident	83.3	Confident	222 Å²	222	85.1 Å²	85.1	84%	0.838	41%	0.412	S	S	*	.	H	α-helix	trans	-60.7	-33.1	-176.8	-66.2	-179.8	-179.7	-178.9	0.1	111	V2 K7 R8	V2-R4 PolarHBondContact O-N 2.99Å; R4-K7 PolarHBondContact O-N 3.49Å; R4-R8 PolarHBondContact O-N 3.18Å
5	V	85.5	Confident	83.8	Confident	3 Å²	3	86.4 Å²	86.4	2%	0.018	41%	0.411	C	S	.	.	H	α-helix	trans	-63.9	-53	176.4	-174.1	0	0	0	0	108.8	D3 K7 R8 L9 F60 R62 Y64	D3-V5 PolarHBondContact O-N 2.93Å; D3-V5 VanDerWaalsContact OD1-CB 3.23Å; D3-V5 WeakPolarHBondContact OD1-CB 3.3Å; D3-V5 WeakPolarHBondContact OD1-CG2 3.46Å; D3-V5 PolarHBondContact OD1-N 2.87Å; V5-K7 VanDerWaalsContact C-N 3.28Å; V5-K7 PolarHBondContact O-N 2.95Å; V5-R8 WeakPolarHBondContact O-CA 3.23Å; V5-R8 WeakPolarHBondContact O-CB 3.41Å; V5-R8 PolarHBondContact O-N 3.06Å; V5-L9 HydrophobicContact CG1-CD1 3.79Å; V5-L9 HydrophobicContact CG1-CG 4.11Å; V5-L9 VanDerWaalsContact O-CG 3.31Å; V5-L9 WeakPolarHBondContact O-CG 3.17Å; V5-L9 PolarHBondContact O-N 3.29Å; V5-F60 HydrophobicContact CG1-CB 4.36Å; V5-R62 WeakPolarHBondContact CG2-O 3.47Å; V5-Y64 HydrophobicContact CG1-CD1 4.39Å; V5-Y64 WeakPolarHBondContact CG2-O 3.38Å
6	V	85.1	Confident	84.1	Confident	41 Å²	41	81.3 Å²	81.3	25%	0.248	39%	0.387	C	S	.	.	H	α-helix	trans	-56.7	-41.9	179.2	172.8	0	0	0	0	111.7	D3 R8 L9 N10 L34	D3-V6 HydrophobicContact CB-CB 3.99Å; D3-V6 HydrophobicContact CB-CG2 3.77Å; D3-V6 PolarHBondContact O-N 3.05Å; D3-V6 PolarHBondContact OD1-N 3.15Å; V6-R8 PolarHBondContact O-N 3.33Å; V6-L9 PolarHBondContact O-N 2.91Å; V6-N10 WeakPolarHBondContact O-CB 3.32Å; V6-N10 PolarHBondContact O-N 3.37Å; V6-N10 PolarHBondContact O-ND2 3.48Å; V6-L34 HydrophobicContact CG1-CD1 3.67Å
7	K	89.1	Confident	84.4	Confident	145 Å²	145	80.2 Å²	80.2	63%	0.63	39%	0.394	S	S	*	.	H	α-helix	trans	-62.3	-42.5	176.3	-173.1	179.5	178.8	-178.5	0	112.4	V2 D3 R4 V5 S11	V2-K7 HydrophobicContact CG1-CB 4.36Å; D3-K7 PolarHBondContact O-N 2.81Å; R4-K7 PolarHBondContact O-N 3.49Å; V5-K7 VanDerWaalsContact C-N 3.28Å; V5-K7 PolarHBondContact O-N 2.95Å; K7-S11 PolarHBondContact O-N 3.48Å; K7-S11 PolarHBondContact O-OG 2.82Å
8	R	91.2	Very high	84.8	Confident	61 Å²	61	81.9 Å²	81.9	23%	0.23	41%	0.405	C	S	.	.	H	α-helix	trans	-63.5	-48	175.9	172.4	64	-174.3	-108.4	-14.2	110.7	R4 V5 V6 S11 E12 Y64 P65 P112 M114	R4-R8 PolarHBondContact O-N 3.18Å; V5-R8 WeakPolarHBondContact O-CA 3.23Å; V5-R8 WeakPolarHBondContact O-CB 3.41Å; V5-R8 PolarHBondContact O-N 3.06Å; V6-R8 PolarHBondContact O-N 3.33Å; R8-S11 WeakPolarHBondContact O-CB 3.35Å; R8-S11 PolarHBondContact O-N 3.04Å; R8-S11 VanDerWaalsContact O-N 3.13Å; R8-E12 IonicContact CZ-OE1 2.8Å; R8-E12 IonicContact NE-OE1 3.2Å; R8-E12 PolarHBondContact NE-OE1 3.42Å; R8-E12 IonicContact NH2-OE1 2.68Å; R8-E12 PolarHBondContact NH2-OE1 2.73Å; R8-E12 PolarHBondContact O-N 3.1Å; R8-Y64 HydrophobicContact CG-CD1 4.19Å; R8-Y64 HydrophobicContact CG-CE1 3.76Å; R8-P65 HydrophobicContact CG-CG 4.29Å; R8-P112 PolarHBondContact NH1-O 2.93Å; R8-P112 PolarHBondContact NH2-O 3.49Å; R8-M114 PolarHBondContact NH2-O 2.85Å
9	L	89.6	Confident	85.2	Confident	1 Å²	1	84.9 Å²	84.9	1%	0.005	42%	0.418	C	S	.	.	H	α-helix	trans	-63.8	-42.7	-178.7	-64.2	-178.1	0	0	0	112.5	V5 V6 S11 E12 L13 L34 F60 Y64	V5-L9 HydrophobicContact CG1-CD1 3.79Å; V5-L9 HydrophobicContact CG1-CG 4.11Å; V5-L9 VanDerWaalsContact O-CG 3.31Å; V5-L9 WeakPolarHBondContact O-CG 3.17Å; V5-L9 PolarHBondContact O-N 3.29Å; V6-L9 PolarHBondContact O-N 2.91Å; L9-S11 PolarHBondContact O-N 3.02Å; L9-E12 PolarHBondContact O-N 3.25Å; L9-E12 VanDerWaalsContact O-N 3.11Å; L9-L13 WeakPolarHBondContact O-CB 3.33Å; L9-L13 WeakPolarHBondContact O-CG 3.4Å; L9-L13 PolarHBondContact O-N 3.07Å; L9-L34 WeakPolarHBondContact CD1-O 3.44Å; L9-F60 HydrophobicContact CD1-CB 4.11Å; L9-F60 HydrophobicContact CD1-CD2 3.48Å; L9-F60 VanDerWaalsContact CD1-CD2 3.48Å; L9-F60 HydrophobicContact CD1-CE2 3.98Å; L9-F60 HydrophobicContact CD1-CG 3.79Å; L9-F60 HydrophobicContact CD2-CD1 3.57Å; L9-F60 HydrophobicContact CD2-CD2 3.7Å; L9-F60 HydrophobicContact CD2-CE1 3.45Å; L9-F60 VanDerWaalsContact CD2-CE1 3.45Å; L9-F60 HydrophobicContact CD2-CE2 3.58Å; L9-F60 HydrophobicContact CD2-CG 3.7Å; L9-F60 HydrophobicContact CD2-CZ 3.48Å; L9-F60 VanDerWaalsContact CD2-CZ 3.48Å; L9-F60 HydrophobicContact CG-CD2 4.26Å; L9-F60 HydrophobicContact CG-CE2 4.42Å; L9-F60 HydrophobicContact CG-CG 4.38Å; L9-Y64 HydrophobicContact CD2-CD1 4.01Å; L9-Y64 HydrophobicContact CD2-CE1 3.73Å
10	N	88.3	Confident	85.5	Confident	77 Å²	77	85.2 Å²	85.2	41%	0.412	43%	0.426	S	S	.	.	H	α-helix	trans	-59	-37.4	173.9	-77.1	-25.7	0	0	0	112.2	V6 K14	V6-N10 WeakPolarHBondContact O-CB 3.32Å; V6-N10 PolarHBondContact O-N 3.37Å; V6-N10 PolarHBondContact O-ND2 3.48Å; N10-K14 WeakPolarHBondContact O-CB 3.26Å; N10-K14 PolarHBondContact O-N 3.28Å
11	S	91	Very high	85.9	Confident	69 Å²	69	81.7 Å²	81.7	48%	0.483	41%	0.409	S	S	.	.	H	α-helix	trans	-70.8	-36.6	177.6	-54.7	0	0	0	0	111.6	K7 R8 L9 R15	K7-S11 PolarHBondContact O-N 3.48Å; K7-S11 PolarHBondContact O-OG 2.82Å; R8-S11 WeakPolarHBondContact O-CB 3.35Å; R8-S11 PolarHBondContact O-N 3.04Å; R8-S11 VanDerWaalsContact O-N 3.13Å; L9-S11 PolarHBondContact O-N 3.02Å; S11-R15 WeakPolarHBondContact O-CB 3.1Å; S11-R15 PolarHBondContact O-N 2.75Å
12	E	90.9	Very high	88.2	Confident	4 Å²	4	74.9 Å²	74.9	2%	0.019	38%	0.383	C	S	.	.	H	α-helix	trans	-69.4	-44.4	175.1	-71.7	-167.4	-148.5	0	0	113	R8 L9 R15 L16 Y64 G115 V116	R8-E12 IonicContact CZ-OE1 2.8Å; R8-E12 IonicContact NE-OE1 3.2Å; R8-E12 PolarHBondContact NE-OE1 3.42Å; R8-E12 IonicContact NH2-OE1 2.68Å; R8-E12 PolarHBondContact NH2-OE1 2.73Å; R8-E12 PolarHBondContact O-N 3.1Å; L9-E12 PolarHBondContact O-N 3.25Å; L9-E12 VanDerWaalsContact O-N 3.11Å; E12-R15 PolarHBondContact O-N 3.08Å; E12-L16 WeakPolarHBondContact O-CB 3.32Å; E12-L16 PolarHBondContact O-N 2.88Å; E12-Y64 WeakPolarHBondContact OE1-CE1 3.46Å; E12-Y64 PolarHBondContact OE1-OH 3.03Å; E12-Y64 PolarHBondContact OE2-OH 3.4Å; E12-G115 WeakPolarHBondContact OE2-CA 3.31Å; E12-V116 WeakPolarHBondContact OE2-CG2 3.17Å; E12-V116 PolarHBondContact OE2-N 3Å
13	L	87.8	Confident	89.9	Confident	25 Å²	25	72.4 Å²	72.4	13%	0.131	37%	0.366	C	S	.	.	H	α-helix	trans	-64.3	-42.6	176.4	-70.8	177.1	0	0	0	111.2	L9 L16 A17 L34 I37	L9-L13 WeakPolarHBondContact O-CB 3.33Å; L9-L13 WeakPolarHBondContact O-CG 3.4Å; L9-L13 PolarHBondContact O-N 3.07Å; L13-L16 PolarHBondContact O-N 2.84Å; L13-A17 WeakPolarHBondContact O-CB 3.48Å; L13-A17 PolarHBondContact O-N 3.11Å; L13-L34 HydrophobicContact CD1-CD2 4.22Å; L13-I37 HydrophobicContact CD1-CG2 4.32Å; L13-I37 HydrophobicContact CD2-CD1 3.71Å; L13-I37 HydrophobicContact CD2-CG2 4.48Å
14	K	90.1	Very high	90.5	Very high	135 Å²	135	70.5 Å²	70.5	59%	0.587	36%	0.356	S	S	*	.	H	α-helix	trans	-59.5	-47.4	173.6	-178.9	175.8	178.3	-177.2	0	111.1	N10 L16 A17 D18	N10-K14 WeakPolarHBondContact O-CB 3.26Å; N10-K14 PolarHBondContact O-N 3.28Å; K14-L16 VanDerWaalsContact C-N 3.31Å; K14-L16 PolarHBondContact O-N 3.27Å; K14-A17 PolarHBondContact O-N 2.98Å; K14-A17 VanDerWaalsContact O-N 3.12Å; K14-D18 WeakPolarHBondContact CE-OD2 3.39Å; K14-D18 WeakPolarHBondContact CG-OD2 3.41Å; K14-D18 WeakPolarHBondContact O-CB 3.48Å; K14-D18 VanDerWaalsContact O-CG 3.31Å; K14-D18 PolarHBondContact O-N 3.13Å
15	R	91	Very high	90.8	Very high	105 Å²	105	64 Å²	64	40%	0.396	33%	0.334	S	S	.	.	H	α-helix	trans	-60.9	-40.3	176.5	-175.3	177.7	63	179.8	-1.1	112	S11 E12 A17 D18 E19	S11-R15 WeakPolarHBondContact O-CB 3.1Å; S11-R15 PolarHBondContact O-N 2.75Å; E12-R15 PolarHBondContact O-N 3.08Å; R15-A17 VanDerWaalsContact C-N 3.28Å; R15-A17 PolarHBondContact O-N 2.95Å; R15-D18 PolarHBondContact O-N 3.25Å; R15-E19 CarbonylContact O-C 3.57Å; R15-E19 WeakPolarHBondContact O-CA 3.48Å; R15-E19 WeakPolarHBondContact O-CB 3.29Å; R15-E19 PolarHBondContact O-N 2.93Å
16	L	88.9	Confident	91	Very high	5 Å²	5	66.4 Å²	66.4	3%	0.026	35%	0.347	C	S	.	.	H	α-helix	trans	-66	-30.7	176.4	-176.8	62.4	0	0	0	112.4	E12 L13 K14 E19 P20 V21 V24 I26 V39 V116	E12-L16 WeakPolarHBondContact O-CB 3.32Å; E12-L16 PolarHBondContact O-N 2.88Å; L13-L16 PolarHBondContact O-N 2.84Å; K14-L16 VanDerWaalsContact C-N 3.31Å; K14-L16 PolarHBondContact O-N 3.27Å; L16-E19 CarbonylContact O-C 3.45Å; L16-P20 VanDerWaalsContact O-CA 3.24Å; L16-P20 WeakPolarHBondContact O-CA 3.22Å; L16-V21 HydrophobicContact CD1-CB 4.46Å; L16-V21 HydrophobicContact CD1-CG2 4.05Å; L16-V24 HydrophobicContact CD1-CG1 4.37Å; L16-I26 HydrophobicContact CB-CD1 4.49Å; L16-I26 HydrophobicContact CD2-CD1 4.19Å; L16-I26 HydrophobicContact CD2-CG1 3.73Å; L16-I26 HydrophobicContact CG-CD1 4.27Å; L16-I26 HydrophobicContact CG-CG1 4.15Å; L16-V39 HydrophobicContact CD2-CG1 4.21Å; L16-V116 HydrophobicContact CD2-CG1 3.93Å
17	A	88.8	Confident	91.1	Very high	62 Å²	62	65 Å²	65	51%	0.512	34%	0.338	S	S	.	.	H	α-helix	trans	-77	-43.1	174.8	0	0	0	0	0	112.7	L13 K14 R15 I26	L13-A17 WeakPolarHBondContact O-CB 3.48Å; L13-A17 PolarHBondContact O-N 3.11Å; K14-A17 PolarHBondContact O-N 2.98Å; K14-A17 VanDerWaalsContact O-N 3.12Å; R15-A17 VanDerWaalsContact C-N 3.28Å; R15-A17 PolarHBondContact O-N 2.95Å; A17-I26 HydrophobicContact CB-CD1 4.36Å
18	D	92.3	Very high	90.3	Very high	111 Å²	111	63 Å²	63	59%	0.594	34%	0.338	S	S	*	.	H	α-helix	trans	-71.6	-37.2	-180	-67.7	-15.6	0	0	0	111.4	K14 R15	K14-D18 WeakPolarHBondContact CE-OD2 3.39Å; K14-D18 WeakPolarHBondContact CG-OD2 3.41Å; K14-D18 WeakPolarHBondContact O-CB 3.48Å; K14-D18 VanDerWaalsContact O-CG 3.31Å; K14-D18 PolarHBondContact O-N 3.13Å; R15-D18 PolarHBondContact O-N 3.25Å
19	E	92.3	Very high	89.4	Confident	140 Å²	140	66.5 Å²	66.5	65%	0.654	36%	0.357	S	S	*	.	S	Bend	trans	-128	77.7	-179.8	-65.6	176.5	-169.8	0	0	109.9	R15 L16 V21	R15-E19 CarbonylContact O-C 3.57Å; R15-E19 WeakPolarHBondContact O-CA 3.48Å; R15-E19 WeakPolarHBondContact O-CB 3.29Å; R15-E19 PolarHBondContact O-N 2.93Å; L16-E19 CarbonylContact O-C 3.45Å; E19-V21 PolarHBondContact O-N 3.01Å
20	P	91.3	Very high	88.1	Confident	90 Å²	90	71.3 Å²	71.3	58%	0.584	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-65.4	132.6	-177.5	26.3	-34	0	0	0	111.2	L16	L16-P20 VanDerWaalsContact O-CA 3.24Å; L16-P20 WeakPolarHBondContact O-CA 3.22Å
21	V	93.8	Very high	87	Confident	11 Å²	11	71.4 Å²	71.4	7%	0.067	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-71.5	128.9	170.4	178	0	0	0	0	108.1	L16 E19 N23 V24 L121 L124	L16-V21 HydrophobicContact CD1-CB 4.46Å; L16-V21 HydrophobicContact CD1-CG2 4.05Å; E19-V21 PolarHBondContact O-N 3.01Å; V21-N23 PolarHBondContact O-N 2.83Å; V21-V24 HydrophobicContact CB-CB 3.89Å; V21-V24 HydrophobicContact CB-CG2 3.57Å; V21-V24 HydrophobicContact CG1-CB 4.32Å; V21-V24 HydrophobicContact CG1-CG2 3.46Å; V21-V24 VanDerWaalsContact CG1-CG2 3.46Å; V21-V24 WeakPolarHBondContact O-CB 3.41Å; V21-V24 PolarHBondContact O-N 3.12Å; V21-L121 HydrophobicContact CG1-CD1 4.47Å; V21-L121 HydrophobicContact CG1-CD2 3.35Å; V21-L121 HydrophobicContact CG1-CG 3.59Å; V21-L121 HydrophobicContact CG2-CD1 4.46Å; V21-L121 HydrophobicContact CG2-CG 4.24Å; V21-L124 HydrophobicContact CG1-CD1 4.45Å
22	P	94.9	Very high	86	Confident	99 Å²	99	77.5 Å²	77.5	64%	0.643	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	137.9	175.1	-27.5	35	0	0	0	111.2	V24 L124	P22-V24 PolarHBondContact O-N 2.86Å; P22-L124 WeakPolarHBondContact O-CD1 2.83Å
23	N	96.8	Very high	85.4	Confident	60 Å²	60	81.4 Å²	81.4	32%	0.321	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	2.9	-177	-67.8	68.8	0	0	0	116.1	V21 L41 N42 G43 L124	V21-N23 PolarHBondContact O-N 2.83Å; N23-L41 CarbonylContact O-C 3.57Å; N23-L41 WeakPolarHBondContact O-CA 3.46Å; N23-N42 HydrophobicContact CB-CB 4.37Å; N23-N42 VanDerWaalsContact CB-O 3.28Å; N23-N42 WeakPolarHBondContact CB-O 3.3Å; N23-N42 PolarHBondContact ND2-O 2.68Å; N23-N42 PolarHBondContact O-N 2.86Å; N23-G43 PolarHBondContact ND2-O 3.07Å; N23-L124 HydrophobicContact CB-CD1 4.09Å; N23-L124 HydrophobicContact CB-CD2 4.28Å
24	V	95.9	Very high	84.9	Confident	14 Å²	14	82.4 Å²	82.4	9%	0.085	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	139	175.2	-171.4	0	0	0	0	109.5	L16 V21 P22 V39 G40 L41 C120 L124	L16-V24 HydrophobicContact CD1-CG1 4.37Å; V21-V24 HydrophobicContact CB-CB 3.89Å; V21-V24 HydrophobicContact CB-CG2 3.57Å; V21-V24 HydrophobicContact CG1-CB 4.32Å; V21-V24 HydrophobicContact CG1-CG2 3.46Å; V21-V24 VanDerWaalsContact CG1-CG2 3.46Å; V21-V24 WeakPolarHBondContact O-CB 3.41Å; V21-V24 PolarHBondContact O-N 3.12Å; P22-V24 PolarHBondContact O-N 2.86Å; V24-V39 HydrophobicContact CG1-CB 4.34Å; V24-G40 WeakPolarHBondContact CA-O 3.36Å; V24-L41 HydrophobicContact CB-CD2 4.19Å; V24-L41 HydrophobicContact CG1-CD2 4.04Å; V24-L41 HydrophobicContact CG2-CD2 3.61Å; V24-C120 HydrophobicContact CG1-CB 4.12Å; V24-C120 HydrophobicContact CG2-CB 3.76Å; V24-L124 HydrophobicContact CG2-CD1 3.51Å
25	F	93.1	Very high	84.6	Confident	85 Å²	85	79.8 Å²	79.8	37%	0.373	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	151.2	171.4	58.6	-87.1	0	0	0	110.7	V39 G40 T53	F25-V39 CarbonylContact O-C 3.59Å; F25-V39 VanDerWaalsContact O-CA 3.32Å; F25-V39 WeakPolarHBondContact O-CA 3.37Å; F25-V39 WeakPolarHBondContact O-CB 3.37Å; F25-G40 PolarHBondContact N-O 2.76Å; F25-G40 PolarHBondContact O-N 2.78Å; F25-T53 HydrophobicContact CE1-CG2 4.03Å; F25-T53 HydrophobicContact CZ-CG2 3.73Å
26	I	89.9	Confident	84.5	Confident	54 Å²	54	76.5 Å²	76.5	28%	0.277	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	126.4	176.4	-61.3	173.7	0	0	0	107.9	L16 A17 T28	L16-I26 HydrophobicContact CB-CD1 4.49Å; L16-I26 HydrophobicContact CD2-CD1 4.19Å; L16-I26 HydrophobicContact CD2-CG1 3.73Å; L16-I26 HydrophobicContact CG-CD1 4.27Å; L16-I26 HydrophobicContact CG-CG1 4.15Å; A17-I26 HydrophobicContact CB-CD1 4.36Å; I26-T28 HydrophobicContact CG2-CG2 4.41Å
27	D	85.1	Confident	84.6	Confident	13 Å²	13	76.4 Å²	76.4	7%	0.07	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	109.2	172.3	-174.5	-9.6	0	0	0	108.5	E29 T38 K55	D27-E29 VanDerWaalsContact C-N 3.26Å; D27-E29 PolarHBondContact O-N 3.04Å; D27-E29 WeakPolarHBondContact OD1-CB 3.39Å; D27-E29 VanDerWaalsContact OD1-CG 3.29Å; D27-E29 WeakPolarHBondContact OD1-CG 3.38Å; D27-E29 PolarHBondContact OD1-N 2.82Å; D27-E29 VanDerWaalsContact OD1-N 3.08Å; D27-T38 HydrophobicContact CB-CG2 3.76Å; D27-T38 WeakPolarHBondContact CB-O 3.49Å; D27-T38 PolarHBondContact N-O 3.49Å; D27-K55 WeakPolarHBondContact OD2-CD 3.32Å; D27-K55 WeakPolarHBondContact OD2-CE 3.19Å; D27-K55 IonicContact OD2-NZ 2.86Å; D27-K55 PolarHBondContact OD2-NZ 3.42Å
28	T	74	Confident	84.8	Confident	102 Å²	102	74 Å²	74	63%	0.626	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-82.7	0.4	-174.7	56.3	0	0	0	0	113.5	I26 N30 L31	I26-T28 HydrophobicContact CG2-CG2 4.41Å; T28-N30 PolarHBondContact O-N 2.9Å; T28-N30 VanDerWaalsContact O-N 3.15Å; T28-L31 HydrophobicContact CG2-CD1 4.27Å
29	E	71.4	Confident	84.9	Confident	134 Å²	134	68.8 Å²	68.8	63%	0.626	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-65.2	-17.2	-174.5	-71.2	178.7	166.8	0	0	113.5	D27 K55	D27-E29 VanDerWaalsContact C-N 3.26Å; D27-E29 PolarHBondContact O-N 3.04Å; D27-E29 WeakPolarHBondContact OD1-CB 3.39Å; D27-E29 VanDerWaalsContact OD1-CG 3.29Å; D27-E29 WeakPolarHBondContact OD1-CG 3.38Å; D27-E29 PolarHBondContact OD1-N 2.82Å; D27-E29 VanDerWaalsContact OD1-N 3.08Å; E29-K55 IonicContact OE2-NZ 2.73Å; E29-K55 PolarHBondContact OE2-NZ 2.83Å
30	N	61.9	Low	85.1	Confident	102 Å²	102	62.1 Å²	62.1	55%	0.545	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-147.5	81.6	177.7	-70	-74.3	0	0	0	112.4	T28	T28-N30 PolarHBondContact O-N 2.9Å; T28-N30 VanDerWaalsContact O-N 3.15Å
31	L	66.2	Low	85.3	Confident	80 Å²	80	57.8 Å²	57.8	42%	0.419	30%	0.299	S	S	.	.			trans	-101.8	8.8	174.9	-67.2	175.9	0	0	0	113.9	T28	T28-L31 HydrophobicContact CG2-CD1 4.27Å
32	E	69.3	Low	85.5	Confident	197 Å²	197	60.1 Å²	60.1	92%	0.921	31%	0.311	S	S	*	.	S	Bend	trans	-69.5	-36.6	-175.8	-64	-170.9	170.1	0	0	113.1
33	D	77.9	Confident	85.6	Confident	86 Å²	86	55.8 Å²	55.8	46%	0.46	28%	0.284	S	S	.	.			trans	-111.4	103	173.5	-177.1	7.8	0	0	0	109.9	R35 T36	D33-R35 PolarHBondContact O-N 2.9Å; D33-R35 VanDerWaalsContact OD1-CB 3.3Å; D33-R35 WeakPolarHBondContact OD1-CB 3.18Å; D33-R35 PolarHBondContact OD1-N 2.87Å; D33-T36 CarbonylContact O-C 3.44Å; D33-T36 PolarHBondContact O-N 2.86Å
34	L	77.4	Confident	85.7	Confident	46 Å²	46	55 Å²	55	24%	0.241	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-16	177.3	-68.8	175.3	0	0	0	113.2	V6 L9 L13 T36	V6-L34 HydrophobicContact CG1-CD1 3.67Å; L9-L34 WeakPolarHBondContact CD1-O 3.44Å; L13-L34 HydrophobicContact CD1-CD2 4.22Å; L34-T36 PolarHBondContact O-N 2.63Å
35	R	84.6	Confident	85.7	Confident	79 Å²	79	64.8 Å²	64.8	30%	0.298	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-11.7	173.1	-62.1	-171.1	177.5	142.8	3.7	113.5	D3 D33 T59 F60	D3-R35 IonicContact OD2-CZ 3.78Å; D3-R35 IonicContact OD2-NE 3.95Å; D3-R35 IonicContact OD2-NH2 2.81Å; D3-R35 PolarHBondContact OD2-NH2 2.81Å; D33-R35 PolarHBondContact O-N 2.9Å; D33-R35 VanDerWaalsContact OD1-CB 3.3Å; D33-R35 WeakPolarHBondContact OD1-CB 3.18Å; D33-R35 PolarHBondContact OD1-N 2.87Å; R35-T59 CarbonylContact O-C 3.55Å; R35-T59 WeakPolarHBondContact O-CA 3.25Å; R35-F60 VanDerWaalsContact O-CD2 3.32Å; R35-F60 WeakPolarHBondContact O-CD2 3.46Å; R35-F60 PolarHBondContact O-N 2.89Å
36	T	89.1	Confident	85.9	Confident	36 Å²	36	64.4 Å²	64.4	22%	0.221	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	108.7	174.5	-52.7	0	0	0	0	109.4	D33 L34 Q57 F58	D33-T36 CarbonylContact O-C 3.44Å; D33-T36 PolarHBondContact O-N 2.86Å; L34-T36 PolarHBondContact O-N 2.63Å; T36-Q57 HydrophobicContact CG2-CG 3.67Å; T36-Q57 VanDerWaalsContact CG2-NE2 3.35Å; T36-F58 CarbonylContact C-O 3.49Å; T36-F58 VanDerWaalsContact CA-O 3.26Å; T36-F58 WeakPolarHBondContact CA-O 3.45Å
37	I	91.1	Very high	86.3	Confident	4 Å²	4	63.2 Å²	63.2	2%	0.021	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	150.9	176.7	69.5	176.2	0	0	0	109.8	L13 Q57 F58 F60 V116	L13-I37 HydrophobicContact CD1-CG2 4.32Å; L13-I37 HydrophobicContact CD2-CD1 3.71Å; L13-I37 HydrophobicContact CD2-CG2 4.48Å; I37-Q57 WeakPolarHBondContact O-CA 3.36Å; I37-F58 HydrophobicContact CD1-CB 4.26Å; I37-F58 HydrophobicContact CD1-CG 4.49Å; I37-F58 HydrophobicContact CG1-CB 3.66Å; I37-F58 HydrophobicContact CG1-CD2 4.47Å; I37-F58 HydrophobicContact CG1-CG 4.26Å; I37-F58 PolarHBondContact N-O 3.32Å; I37-F58 PolarHBondContact O-N 3.41Å; I37-F60 HydrophobicContact CD1-CE2 3.9Å; I37-F60 HydrophobicContact CD1-CZ 3.93Å; I37-F60 HydrophobicContact CG1-CE2 3.83Å; I37-F60 HydrophobicContact CG1-CZ 4.25Å; I37-F60 HydrophobicContact CG2-CE2 4.4Å; I37-V116 HydrophobicContact CD1-CG1 4.19Å; I37-V116 HydrophobicContact CD1-CG2 3.62Å
38	T	93	Very high	86.9	Confident	12 Å²	12	66.1 Å²	66.1	7%	0.074	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	139.4	171.5	-56.7	0	0	0	0	109.4	D27 K55 L56 V85	D27-T38 HydrophobicContact CB-CG2 3.76Å; D27-T38 WeakPolarHBondContact CB-O 3.49Å; D27-T38 PolarHBondContact N-O 3.49Å; T38-K55 HydrophobicContact CG2-CB 4.01Å; T38-K55 HydrophobicContact CG2-CD 4.29Å; T38-K55 HydrophobicContact CG2-CG 4.46Å; T38-L56 CarbonylContact C-O 3.56Å; T38-L56 VanDerWaalsContact CA-O 3.3Å; T38-L56 WeakPolarHBondContact CA-O 3.35Å; T38-V85 HydrophobicContact CG2-CG2 4.5Å
39	V	94	Very high	88.1	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143	171.4	-59.2	0	0	0	0	109.2	L16 V24 F25 K55 L56 F58 V116	L16-V39 HydrophobicContact CD2-CG1 4.21Å; V24-V39 HydrophobicContact CG1-CB 4.34Å; F25-V39 CarbonylContact O-C 3.59Å; F25-V39 VanDerWaalsContact O-CA 3.32Å; F25-V39 WeakPolarHBondContact O-CA 3.37Å; F25-V39 WeakPolarHBondContact O-CB 3.37Å; V39-K55 WeakPolarHBondContact O-CA 3.43Å; V39-L56 HydrophobicContact CG2-CB 3.82Å; V39-L56 HydrophobicContact CG2-CD1 4.46Å; V39-L56 PolarHBondContact N-O 3.15Å; V39-L56 PolarHBondContact O-N 2.89Å; V39-F58 HydrophobicContact CG2-CD2 4.12Å; V39-F58 HydrophobicContact CG2-CE2 3.5Å; V39-F58 VanDerWaalsContact CG2-CE2 3.5Å; V39-F58 HydrophobicContact CG2-CZ 4.42Å; V39-V116 HydrophobicContact CG1-CG1 4.17Å
40	G	95.5	Very high	89.3	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	143.4	172.2	0	0	0	0	0	111.8	V24 F25 F54	V24-G40 WeakPolarHBondContact CA-O 3.36Å; F25-G40 PolarHBondContact N-O 2.76Å; F25-G40 PolarHBondContact O-N 2.78Å; G40-F54 CarbonylContact C-O 3.59Å; G40-F54 WeakPolarHBondContact CA-O 3.46Å
41	L	97	Very high	91	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	120.1	172	-63.2	-170.4	0	0	0	109.8	N23 V24 T53 F54 L56 F84 C120 I123 L124	N23-L41 CarbonylContact O-C 3.57Å; N23-L41 WeakPolarHBondContact O-CA 3.46Å; V24-L41 HydrophobicContact CB-CD2 4.19Å; V24-L41 HydrophobicContact CG1-CD2 4.04Å; V24-L41 HydrophobicContact CG2-CD2 3.61Å; L41-T53 CarbonylContact O-C 3.59Å; L41-T53 WeakPolarHBondContact O-CA 3.47Å; L41-F54 HydrophobicContact CB-CB 4.47Å; L41-F54 PolarHBondContact N-O 3.34Å; L41-F54 PolarHBondContact O-N 3.41Å; L41-L56 HydrophobicContact CD1-CD1 3.41Å; L41-L56 VanDerWaalsContact CD1-CD1 3.41Å; L41-L56 HydrophobicContact CD1-CG 3.92Å; L41-L56 HydrophobicContact CD2-CD1 4.42Å; L41-L56 HydrophobicContact CG-CD1 3.92Å; L41-L56 HydrophobicContact CG-CG 4.24Å; L41-F84 HydrophobicContact CD1-CE1 4.37Å; L41-C120 HydrophobicContact CD2-CB 4.26Å; L41-I123 HydrophobicContact CD1-CG2 3.85Å; L41-L124 HydrophobicContact CB-CD2 4.22Å; L41-L124 HydrophobicContact CD1-CD2 4.24Å; L41-L124 HydrophobicContact CD1-CG 4.27Å; L41-L124 HydrophobicContact CD2-CD1 4.19Å; L41-L124 HydrophobicContact CD2-CD2 4.24Å; L41-L124 HydrophobicContact CD2-CG 4.05Å; L41-L124 HydrophobicContact CG-CD2 4.5Å
42	N	97.7	Very high	92.5	Very high	59 Å²	59	56.3 Å²	56.3	32%	0.316	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	133.2	169.2	-69.2	-33.5	0	0	0	109.9	N23 V44 T53	N23-N42 HydrophobicContact CB-CB 4.37Å; N23-N42 VanDerWaalsContact CB-O 3.28Å; N23-N42 WeakPolarHBondContact CB-O 3.3Å; N23-N42 PolarHBondContact ND2-O 2.68Å; N23-N42 PolarHBondContact O-N 2.86Å; N42-V44 PolarHBondContact O-N 2.76Å; N42-T53 WeakPolarHBondContact OD1-CG2 3.37Å; N42-T53 PolarHBondContact OD1-OG1 2.73Å
43	G	97.5	Very high	93.8	Very high	8 Å²	8	50.1 Å²	50.1	8%	0.082	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-56.8	136.1	174.2	0	0	0	0	0	111.7	N23 Y49 Q52	N23-G43 PolarHBondContact ND2-O 3.07Å; G43-Y49 WeakPolarHBondContact CA-O 3.45Å; G43-Q52 PolarHBondContact N-O 3.07Å
44	V	97.5	Very high	94.8	Very high	45 Å²	45	46.1 Å²	46.1	27%	0.273	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-71.3	140.1	-178.9	178.9	0	0	0	0	109.4	N42 T47 L124 S128	N42-V44 PolarHBondContact O-N 2.76Å; V44-T47 HydrophobicContact CB-CG2 3.82Å; V44-T47 HydrophobicContact CG1-CG2 4.18Å; V44-T47 WeakPolarHBondContact O-CB 3.4Å; V44-T47 WeakPolarHBondContact O-CG2 3.35Å; V44-T47 PolarHBondContact O-N 2.82Å; V44-T47 PolarHBondContact O-OG1 3.4Å; V44-L124 HydrophobicContact CG2-CD2 4.42Å; V44-S128 WeakPolarHBondContact CG2-OG 3.39Å
45	R	97.4	Very high	95.7	Very high	219 Å²	219	47.1 Å²	47.1	83%	0.826	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	138	-180	-72.3	-173.1	176.3	-166	-0.5	111.8	T47 D50	R45-T47 PolarHBondContact O-N 2.87Å; R45-D50 VanDerWaalsContact CA-OD2 3.27Å; R45-D50 WeakPolarHBondContact CA-OD2 3.46Å
46	G	96.9	Very high	96.2	Very high	77 Å²	77	43.3 Å²	43.3	79%	0.794	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	5.9	-179.5	0	0	0	0	0	115.1	D50	G46-D50 PolarHBondContact N-OD2 3.24Å
47	T	97.6	Very high	96.5	Very high	29 Å²	29	44.3 Å²	44.3	18%	0.178	26%	0.256	C	S	.	.	S	Bend	trans	-96.7	170.7	172.1	73.8	0	0	0	0	111	V44 R45 Y49 D50	V44-T47 HydrophobicContact CB-CG2 3.82Å; V44-T47 HydrophobicContact CG1-CG2 4.18Å; V44-T47 WeakPolarHBondContact O-CB 3.4Å; V44-T47 WeakPolarHBondContact O-CG2 3.35Å; V44-T47 PolarHBondContact O-N 2.82Å; V44-T47 PolarHBondContact O-OG1 3.4Å; R45-T47 PolarHBondContact O-N 2.87Å; T47-Y49 PolarHBondContact O-N 3.31Å; T47-Y49 PolarHBondContact OG1-N 3.44Å; T47-D50 WeakPolarHBondContact O-CB 3.02Å; T47-D50 PolarHBondContact O-N 3.15Å
48	L	98.2	Very high	96.6	Very high	74 Å²	74	44.1 Å²	44.1	39%	0.387	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-17.4	174.1	-65	-179.7	0	0	0	113.7	C130 K131 K133	L48-C130 WeakPolarHBondContact CD1-O 2.9Å; L48-K131 VanDerWaalsContact CD1-C 3.49Å; L48-K133 HydrophobicContact CB-CG 4.33Å; L48-K133 HydrophobicContact CD1-CG 4.22Å; L48-K133 WeakPolarHBondContact O-CE 3.44Å; L48-K133 PolarHBondContact O-NZ 2.92Å
49	Y	98.2	Very high	96.5	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	4.9	-175.8	-54.6	-80.7	0	0	0	112.9	G43 T47 G51 Q52 F54 P90 V91 H92 L127 C130 K133	G43-Y49 WeakPolarHBondContact CA-O 3.45Å; T47-Y49 PolarHBondContact O-N 3.31Å; T47-Y49 PolarHBondContact OG1-N 3.44Å; Y49-G51 PolarHBondContact O-N 2.82Å; Y49-Q52 VanDerWaalsContact O-CB 3.28Å; Y49-Q52 WeakPolarHBondContact O-CB 3.24Å; Y49-Q52 WeakPolarHBondContact O-CG 3.43Å; Y49-Q52 PolarHBondContact O-N 3.48Å; Y49-F54 HydrophobicContact CD1-CE2 4.16Å; Y49-F54 AromaticContact CD1-CZ 3.7Å; Y49-F54 HydrophobicContact CD1-CZ 3.7Å; Y49-F54 HydrophobicContact CG-CE2 4.34Å; Y49-F54 HydrophobicContact CG-CZ 4.29Å; Y49-P90 HydrophobicContact CD1-CB 4.24Å; Y49-P90 HydrophobicContact CE1-CB 3.85Å; Y49-V91 PolarHBondContact OH-O 2.83Å; Y49-H92 WeakPolarHBondContact OH-CB 3.38Å; Y49-H92 PolarHBondContact OH-CD2 3.42Å; Y49-H92 VanDerWaalsContact OH-CD2 3.31Å; Y49-L127 HydrophobicContact CD2-CB 3.92Å; Y49-L127 HydrophobicContact CD2-CD2 4.36Å; Y49-L127 WeakPolarHBondContact CD2-O 3.32Å; Y49-L127 HydrophobicContact CE1-CD2 4.24Å; Y49-L127 HydrophobicContact CE2-CB 4.02Å; Y49-L127 HydrophobicContact CE2-CD2 3.95Å; Y49-L127 WeakPolarHBondContact CE2-O 3.44Å; Y49-C130 HydrophobicContact CE2-CB 3.86Å; Y49-K133 HydrophobicContact CE1-CD 4.41Å; Y49-K133 HydrophobicContact CE1-CG 4.4Å
50	D	97.8	Very high	96.3	Very high	79 Å²	79	45.7 Å²	45.7	42%	0.422	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	137.8	177.6	-163.4	-7.6	0	0	0	111.6	R45 G46 T47 Q52	R45-D50 VanDerWaalsContact CA-OD2 3.27Å; R45-D50 WeakPolarHBondContact CA-OD2 3.46Å; G46-D50 PolarHBondContact N-OD2 3.24Å; T47-D50 WeakPolarHBondContact O-CB 3.02Å; T47-D50 PolarHBondContact O-N 3.15Å; D50-Q52 PolarHBondContact O-N 3.17Å
51	G	97.2	Very high	95.9	Very high	73 Å²	73	48.3 Å²	48.3	75%	0.753	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	0.9	-176.3	0	0	0	0	0	116.1	Y49	Y49-G51 PolarHBondContact O-N 2.82Å
52	Q	97.8	Very high	95.4	Very high	58 Å²	58	57.2 Å²	57.2	27%	0.271	31%	0.312	S	S	.	.			trans	-99.9	146.6	178.2	-52.8	-171.4	10	0	0	111.5	G43 Y49 D50 F54	G43-Q52 PolarHBondContact N-O 3.07Å; Y49-Q52 VanDerWaalsContact O-CB 3.28Å; Y49-Q52 WeakPolarHBondContact O-CB 3.24Å; Y49-Q52 WeakPolarHBondContact O-CG 3.43Å; Y49-Q52 PolarHBondContact O-N 3.48Å; D50-Q52 PolarHBondContact O-N 3.17Å; Q52-F54 HydrophobicContact CB-CE1 4.2Å; Q52-F54 HydrophobicContact CB-CE2 3.9Å; Q52-F54 HydrophobicContact CB-CZ 3.52Å; Q52-F54 HydrophobicContact CG-CZ 4.39Å
53	T	97.3	Very high	94.9	Very high	68 Å²	68	57.2 Å²	57.2	42%	0.417	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	131.7	172.5	-57.7	0	0	0	0	109.4	F25 L41 N42 N88	F25-T53 HydrophobicContact CE1-CG2 4.03Å; F25-T53 HydrophobicContact CZ-CG2 3.73Å; L41-T53 CarbonylContact O-C 3.59Å; L41-T53 WeakPolarHBondContact O-CA 3.47Å; N42-T53 WeakPolarHBondContact OD1-CG2 3.37Å; N42-T53 PolarHBondContact OD1-OG1 2.73Å; T53-N88 PolarHBondContact O-ND2 2.93Å
54	F	97.6	Very high	94.5	Very high	2 Å²	2	57 Å²	57	1%	0.009	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	155.1	177.2	-49.2	-75	0	0	0	109.6	G40 L41 Y49 Q52 F84 N88 P90 L127	G40-F54 CarbonylContact C-O 3.59Å; G40-F54 WeakPolarHBondContact CA-O 3.46Å; L41-F54 HydrophobicContact CB-CB 4.47Å; L41-F54 PolarHBondContact N-O 3.34Å; L41-F54 PolarHBondContact O-N 3.41Å; Y49-F54 HydrophobicContact CD1-CE2 4.16Å; Y49-F54 AromaticContact CD1-CZ 3.7Å; Y49-F54 HydrophobicContact CD1-CZ 3.7Å; Y49-F54 HydrophobicContact CG-CE2 4.34Å; Y49-F54 HydrophobicContact CG-CZ 4.29Å; Q52-F54 HydrophobicContact CB-CE1 4.2Å; Q52-F54 HydrophobicContact CB-CE2 3.9Å; Q52-F54 HydrophobicContact CB-CZ 3.52Å; Q52-F54 HydrophobicContact CG-CZ 4.39Å; F54-F84 HydrophobicContact CB-CD1 3.85Å; F54-F84 HydrophobicContact CB-CE1 3.74Å; F54-F84 HydrophobicContact CG-CE1 4.24Å; F54-N88 HydrophobicContact CD1-CB 4.49Å; F54-N88 WeakPolarHBondContact CD1-ND2 3.42Å; F54-N88 WeakPolarHBondContact CD1-O 3.42Å; F54-N88 VanDerWaalsContact CE1-ND2 3.25Å; F54-N88 WeakPolarHBondContact CE1-ND2 3.45Å; F54-P90 HydrophobicContact CD1-CB 4Å; F54-P90 HydrophobicContact CD1-CG 4.04Å; F54-P90 HydrophobicContact CE1-CB 3.65Å; F54-P90 HydrophobicContact CE1-CG 4.21Å; F54-P90 HydrophobicContact CG-CG 4.4Å; F54-P90 HydrophobicContact CZ-CB 3.95Å; F54-L127 HydrophobicContact CD2-CD1 4.36Å; F54-L127 HydrophobicContact CE2-CD1 4.45Å
55	K	96.8	Very high	94	Very high	66 Å²	66	55.3 Å²	55.3	29%	0.287	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	133.9	171.7	-63.8	-171.4	177.9	-153.7	0	109.5	D27 E29 T38 V39 F84 V85	D27-K55 WeakPolarHBondContact OD2-CD 3.32Å; D27-K55 WeakPolarHBondContact OD2-CE 3.19Å; D27-K55 IonicContact OD2-NZ 2.86Å; D27-K55 PolarHBondContact OD2-NZ 3.42Å; E29-K55 IonicContact OE2-NZ 2.73Å; E29-K55 PolarHBondContact OE2-NZ 2.83Å; T38-K55 HydrophobicContact CG2-CB 4.01Å; T38-K55 HydrophobicContact CG2-CD 4.29Å; T38-K55 HydrophobicContact CG2-CG 4.46Å; V39-K55 WeakPolarHBondContact O-CA 3.43Å; K55-F84 CarbonylContact O-C 3.55Å; K55-F84 VanDerWaalsContact O-CA 3.3Å; K55-F84 WeakPolarHBondContact O-CA 3.35Å; K55-V85 HydrophobicContact CB-CG2 3.76Å; K55-V85 PolarHBondContact O-N 3.25Å
56	L	96	Very high	93.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126.8	170.7	-74.2	178.7	0	0	0	109.2	T38 V39 L41 F58 V82 I83 F84 I101 I123	T38-L56 CarbonylContact C-O 3.56Å; T38-L56 VanDerWaalsContact CA-O 3.3Å; T38-L56 WeakPolarHBondContact CA-O 3.35Å; V39-L56 HydrophobicContact CG2-CB 3.82Å; V39-L56 HydrophobicContact CG2-CD1 4.46Å; V39-L56 PolarHBondContact N-O 3.15Å; V39-L56 PolarHBondContact O-N 2.89Å; L41-L56 HydrophobicContact CD1-CD1 3.41Å; L41-L56 VanDerWaalsContact CD1-CD1 3.41Å; L41-L56 HydrophobicContact CD1-CG 3.92Å; L41-L56 HydrophobicContact CD2-CD1 4.42Å; L41-L56 HydrophobicContact CG-CD1 3.92Å; L41-L56 HydrophobicContact CG-CG 4.24Å; L56-F58 HydrophobicContact CB-CD2 4.32Å; L56-F58 HydrophobicContact CB-CE2 3.81Å; L56-F58 HydrophobicContact CD1-CE2 4.16Å; L56-F58 HydrophobicContact CD1-CZ 4.48Å; L56-V82 HydrophobicContact CB-CG1 4.49Å; L56-V82 HydrophobicContact CD1-CG1 4.41Å; L56-V82 HydrophobicContact CD2-CG1 4.14Å; L56-I83 CarbonylContact C-O 3.6Å; L56-I83 WeakPolarHBondContact CA-O 3.5Å; L56-F84 HydrophobicContact CD2-CD1 3.5Å; L56-F84 VanDerWaalsContact CD2-CD1 3.5Å; L56-F84 HydrophobicContact CD2-CD2 3.97Å; L56-F84 HydrophobicContact CD2-CE1 3.5Å; L56-F84 HydrophobicContact CD2-CE2 3.98Å; L56-F84 HydrophobicContact CD2-CG 3.74Å; L56-F84 HydrophobicContact CD2-CZ 3.75Å; L56-F84 HydrophobicContact CG-CD1 4.18Å; L56-F84 HydrophobicContact CG-CE1 4Å; L56-I101 HydrophobicContact CD2-CD1 3.72Å; L56-I123 HydrophobicContact CD1-CB 4.48Å; L56-I123 HydrophobicContact CD1-CD1 3.57Å; L56-I123 HydrophobicContact CD1-CG2 4.23Å; L56-I123 HydrophobicContact CD2-CD1 4.2Å
57	Q	94.1	Very high	92.6	Very high	57 Å²	57	50.1 Å²	50.1	27%	0.266	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	129.2	169.4	-178.1	174.8	65.8	0	0	109.3	T36 I37 V82 I83 V85	T36-Q57 HydrophobicContact CG2-CG 3.67Å; T36-Q57 VanDerWaalsContact CG2-NE2 3.35Å; I37-Q57 WeakPolarHBondContact O-CA 3.36Å; Q57-V82 WeakPolarHBondContact O-CA 3.49Å; Q57-I83 HydrophobicContact CB-CG1 4.27Å; Q57-I83 PolarHBondContact N-O 3.46Å; Q57-I83 PolarHBondContact O-N 3.02Å; Q57-I83 VanDerWaalsContact O-N 3.09Å; Q57-V85 HydrophobicContact CB-CB 4.5Å; Q57-V85 HydrophobicContact CB-CG1 3.6Å; Q57-V85 HydrophobicContact CB-CG2 4.04Å
58	F	93.1	Very high	91.6	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	123	173.5	-71.3	-115.3	0	0	0	108.1	T36 I37 V39 L56 F60 L80 Q81 V82 V116 I119	T36-F58 CarbonylContact C-O 3.49Å; T36-F58 VanDerWaalsContact CA-O 3.26Å; T36-F58 WeakPolarHBondContact CA-O 3.45Å; I37-F58 HydrophobicContact CD1-CB 4.26Å; I37-F58 HydrophobicContact CD1-CG 4.49Å; I37-F58 HydrophobicContact CG1-CB 3.66Å; I37-F58 HydrophobicContact CG1-CD2 4.47Å; I37-F58 HydrophobicContact CG1-CG 4.26Å; I37-F58 PolarHBondContact N-O 3.32Å; I37-F58 PolarHBondContact O-N 3.41Å; V39-F58 HydrophobicContact CG2-CD2 4.12Å; V39-F58 HydrophobicContact CG2-CE2 3.5Å; V39-F58 VanDerWaalsContact CG2-CE2 3.5Å; V39-F58 HydrophobicContact CG2-CZ 4.42Å; L56-F58 HydrophobicContact CB-CD2 4.32Å; L56-F58 HydrophobicContact CB-CE2 3.81Å; L56-F58 HydrophobicContact CD1-CE2 4.16Å; L56-F58 HydrophobicContact CD1-CZ 4.48Å; F58-F60 HydrophobicContact CB-CE2 3.89Å; F58-F60 HydrophobicContact CB-CZ 3.76Å; F58-F60 HydrophobicContact CD1-CZ 4.2Å; F58-F60 HydrophobicContact CG-CZ 4.38Å; F58-L80 HydrophobicContact CB-CD1 4.16Å; F58-L80 HydrophobicContact CD1-CD1 3.99Å; F58-L80 HydrophobicContact CD1-CD2 4.31Å; F58-Q81 CarbonylContact C-O 3.56Å; F58-Q81 WeakPolarHBondContact CA-O 3.4Å; F58-V82 HydrophobicContact CD1-CG1 4.45Å; F58-V82 HydrophobicContact CD1-CG2 3.55Å; F58-V82 HydrophobicContact CD2-CG1 4.24Å; F58-V82 HydrophobicContact CE1-CG1 4.2Å; F58-V82 HydrophobicContact CE1-CG2 3.67Å; F58-V82 HydrophobicContact CE2-CG1 3.95Å; F58-V82 HydrophobicContact CG-CG1 4.46Å; F58-V82 HydrophobicContact CG-CG2 4.05Å; F58-V82 HydrophobicContact CZ-CG1 3.92Å; F58-V82 HydrophobicContact CZ-CG2 4.26Å; F58-V116 HydrophobicContact CD1-CG2 4.15Å; F58-V116 HydrophobicContact CE1-CB 4.34Å; F58-V116 HydrophobicContact CE1-CG1 4.13Å; F58-V116 HydrophobicContact CE1-CG2 4.3Å; F58-V116 HydrophobicContact CE2-CG1 4.39Å; F58-V116 HydrophobicContact CZ-CG1 4.07Å; F58-I119 HydrophobicContact CE1-CB 3.92Å; F58-I119 HydrophobicContact CE1-CD1 3.91Å; F58-I119 HydrophobicContact CE1-CG2 3.74Å; F58-I119 HydrophobicContact CZ-CB 4.2Å; F58-I119 HydrophobicContact CZ-CG2 3.78Å
59	T	90.8	Very high	90.6	Very high	39 Å²	39	52.4 Å²	52.4	24%	0.239	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	118.9	176.5	-51.9	0	0	0	0	109.3	R35 L80 Q81	R35-T59 CarbonylContact O-C 3.55Å; R35-T59 WeakPolarHBondContact O-CA 3.25Å; T59-L80 WeakPolarHBondContact O-CA 3.31Å; T59-Q81 PolarHBondContact N-O 2.92Å; T59-Q81 PolarHBondContact O-N 3.24Å
60	F	90.1	Very high	89.8	Confident	6 Å²	6	59.4 Å²	59.4	3%	0.026	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127.2	-173.8	-54.8	-84.8	0	0	0	111.4	V5 L9 R35 I37 F58 Y64 L80 V116	V5-F60 HydrophobicContact CG1-CB 4.36Å; L9-F60 HydrophobicContact CD1-CB 4.11Å; L9-F60 HydrophobicContact CD1-CD2 3.48Å; L9-F60 VanDerWaalsContact CD1-CD2 3.48Å; L9-F60 HydrophobicContact CD1-CE2 3.98Å; L9-F60 HydrophobicContact CD1-CG 3.79Å; L9-F60 HydrophobicContact CD2-CD1 3.57Å; L9-F60 HydrophobicContact CD2-CD2 3.7Å; L9-F60 HydrophobicContact CD2-CE1 3.45Å; L9-F60 VanDerWaalsContact CD2-CE1 3.45Å; L9-F60 HydrophobicContact CD2-CE2 3.58Å; L9-F60 HydrophobicContact CD2-CG 3.7Å; L9-F60 HydrophobicContact CD2-CZ 3.48Å; L9-F60 VanDerWaalsContact CD2-CZ 3.48Å; L9-F60 HydrophobicContact CG-CD2 4.26Å; L9-F60 HydrophobicContact CG-CE2 4.42Å; L9-F60 HydrophobicContact CG-CG 4.38Å; R35-F60 VanDerWaalsContact O-CD2 3.32Å; R35-F60 WeakPolarHBondContact O-CD2 3.46Å; R35-F60 PolarHBondContact O-N 2.89Å; I37-F60 HydrophobicContact CD1-CE2 3.9Å; I37-F60 HydrophobicContact CD1-CZ 3.93Å; I37-F60 HydrophobicContact CG1-CE2 3.83Å; I37-F60 HydrophobicContact CG1-CZ 4.25Å; I37-F60 HydrophobicContact CG2-CE2 4.4Å; F58-F60 HydrophobicContact CB-CE2 3.89Å; F58-F60 HydrophobicContact CB-CZ 3.76Å; F58-F60 HydrophobicContact CD1-CZ 4.2Å; F58-F60 HydrophobicContact CG-CZ 4.38Å; F60-Y64 HydrophobicContact CB-CG 4.4Å; F60-Y64 AromaticContact CD1-CD1 3.88Å; F60-Y64 HydrophobicContact CD1-CD1 3.88Å; F60-Y64 AromaticContact CD1-CD2 3.74Å; F60-Y64 HydrophobicContact CD1-CD2 3.74Å; F60-Y64 AromaticContact CD1-CE1 3.94Å; F60-Y64 HydrophobicContact CD1-CE1 3.94Å; F60-Y64 AromaticContact CD1-CE2 3.77Å; F60-Y64 HydrophobicContact CD1-CE2 3.77Å; F60-Y64 AromaticContact CD1-CG 3.78Å; F60-Y64 HydrophobicContact CD1-CG 3.78Å; F60-Y64 AromaticContact CD1-CZ 3.89Å; F60-Y64 HydrophobicContact CE1-CD1 4.49Å; F60-Y64 HydrophobicContact CE1-CD2 4.41Å; F60-Y64 HydrophobicContact CE1-CE1 4.09Å; F60-Y64 AromaticContact CE1-CE2 3.97Å; F60-Y64 HydrophobicContact CE1-CE2 3.97Å; F60-Y64 AromaticContact CE1-CZ 3.82Å; F60-L80 HydrophobicContact CD1-CD1 3.6Å; F60-L80 HydrophobicContact CE1-CD1 3.56Å; F60-L80 HydrophobicContact CE1-CD2 4.26Å; F60-L80 HydrophobicContact CE1-CG 4.48Å; F60-L80 HydrophobicContact CG-CD1 4.29Å; F60-L80 HydrophobicContact CZ-CD1 4.23Å; F60-V116 HydrophobicContact CE1-CG2 4.45Å; F60-V116 HydrophobicContact CZ-CG2 3.85Å
61	D	88	Confident	88.6	Confident	55 Å²	55	58.7 Å²	58.7	29%	0.294	31%	0.31	S	S	.	.			trans	-74.4	163.2	171.1	-178.4	-106.5	0	0	0	111.6	N63 Y64 R78 L79	D61-N63 PolarHBondContact O-N 3.49Å; D61-N63 VanDerWaalsContact O-N 3.1Å; D61-N63 WeakPolarHBondContact OD1-CB 3.41Å; D61-N63 PolarHBondContact OD1-N 3.14Å; D61-N63 PolarHBondContact OD1-ND2 3.24Å; D61-Y64 WeakPolarHBondContact O-CB 3.4Å; D61-Y64 PolarHBondContact O-N 2.96Å; D61-R78 VanDerWaalsContact CB-O 3.25Å; D61-R78 WeakPolarHBondContact CB-O 3.45Å; D61-L79 PolarHBondContact N-O 3.39Å
62	R	86.6	Confident	87.4	Confident	187 Å²	187	58.8 Å²	58.8	71%	0.706	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.8	178.8	-59.2	-178.4	-176.9	-163.8	0.8	113.6	V5	V5-R62 WeakPolarHBondContact CG2-O 3.47Å
63	N	86.2	Confident	85.9	Confident	58 Å²	58	64.9 Å²	64.9	31%	0.31	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-9.3	179.4	-62.2	-62.6	0	0	0	113.2	D61 F66 P68 L79	D61-N63 PolarHBondContact O-N 3.49Å; D61-N63 VanDerWaalsContact O-N 3.1Å; D61-N63 WeakPolarHBondContact OD1-CB 3.41Å; D61-N63 PolarHBondContact OD1-N 3.14Å; D61-N63 PolarHBondContact OD1-ND2 3.24Å; N63-F66 CarbonylContact O-C 3.59Å; N63-F66 PolarHBondContact O-N 3.27Å; N63-P68 HydrophobicContact CB-CG 4.15Å; N63-P68 WeakPolarHBondContact OD1-CG 3.3Å; N63-L79 HydrophobicContact CB-CD2 3.4Å
64	Y	89	Confident	84.5	Confident	5 Å²	5	66.4 Å²	66.4	2%	0.02	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	133.4	179.7	-176.5	-91.8	0	0	0	111.9	V5 R8 L9 E12 F60 D61 L80 W110	V5-Y64 HydrophobicContact CG1-CD1 4.39Å; V5-Y64 WeakPolarHBondContact CG2-O 3.38Å; R8-Y64 HydrophobicContact CG-CD1 4.19Å; R8-Y64 HydrophobicContact CG-CE1 3.76Å; L9-Y64 HydrophobicContact CD2-CD1 4.01Å; L9-Y64 HydrophobicContact CD2-CE1 3.73Å; E12-Y64 WeakPolarHBondContact OE1-CE1 3.46Å; E12-Y64 PolarHBondContact OE1-OH 3.03Å; E12-Y64 PolarHBondContact OE2-OH 3.4Å; F60-Y64 HydrophobicContact CB-CG 4.4Å; F60-Y64 AromaticContact CD1-CD1 3.88Å; F60-Y64 HydrophobicContact CD1-CD1 3.88Å; F60-Y64 AromaticContact CD1-CD2 3.74Å; F60-Y64 HydrophobicContact CD1-CD2 3.74Å; F60-Y64 AromaticContact CD1-CE1 3.94Å; F60-Y64 HydrophobicContact CD1-CE1 3.94Å; F60-Y64 AromaticContact CD1-CE2 3.77Å; F60-Y64 HydrophobicContact CD1-CE2 3.77Å; F60-Y64 AromaticContact CD1-CG 3.78Å; F60-Y64 HydrophobicContact CD1-CG 3.78Å; F60-Y64 AromaticContact CD1-CZ 3.89Å; F60-Y64 HydrophobicContact CE1-CD1 4.49Å; F60-Y64 HydrophobicContact CE1-CD2 4.41Å; F60-Y64 HydrophobicContact CE1-CE1 4.09Å; F60-Y64 AromaticContact CE1-CE2 3.97Å; F60-Y64 HydrophobicContact CE1-CE2 3.97Å; F60-Y64 AromaticContact CE1-CZ 3.82Å; D61-Y64 WeakPolarHBondContact O-CB 3.4Å; D61-Y64 PolarHBondContact O-N 2.96Å; Y64-L80 HydrophobicContact CD2-CB 4.11Å; Y64-L80 HydrophobicContact CE2-CB 4.18Å; Y64-L80 HydrophobicContact CE2-CD2 4.02Å; Y64-W110 AromaticContact CD2-CZ2 3.98Å; Y64-W110 HydrophobicContact CD2-CZ2 3.98Å; Y64-W110 AromaticContact CE2-CH2 3.47Å; Y64-W110 HydrophobicContact CE2-CH2 3.47Å; Y64-W110 VanDerWaalsContact CE2-CH2 3.47Å; Y64-W110 AromaticContact CE2-CZ2 3.26Å; Y64-W110 HydrophobicContact CE2-CZ2 3.26Å; Y64-W110 AromaticContact CZ-CH2 4Å
65	P	88.4	Confident	83	Confident	9 Å²	9	69.4 Å²	69.4	6%	0.058	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	cis	-97.9	5.3	5.4	39.3	-36.8	0	0	0	114	R8 P112	R8-P65 HydrophobicContact CG-CG 4.29Å; P65-P112 HydrophobicContact CB-CB 4.21Å; P65-P112 HydrophobicContact CG-CB 4.4Å; P65-P112 WeakPolarHBondContact O-CG 3.41Å
66	F	85.9	Confident	81.3	Confident	139 Å²	139	67.3 Å²	67.3	61%	0.61	33%	0.334	S	S	*	.			trans	-107.3	129.1	-170.5	-62.9	-73.7	0	0	0	112.2	N63 P68 P112	N63-F66 CarbonylContact O-C 3.59Å; N63-F66 PolarHBondContact O-N 3.27Å; F66-P68 WeakPolarHBondContact O-CD 3.34Å; F66-P112 HydrophobicContact CD1-CB 3.8Å; F66-P112 HydrophobicContact CD1-CG 3.71Å; F66-P112 HydrophobicContact CE1-CB 3.66Å; F66-P112 HydrophobicContact CE1-CG 3.99Å; F66-P112 HydrophobicContact CZ-CB 4.4Å
67	T	77.3	Confident	79.8	Confident	48 Å²	48	69 Å²	69	29%	0.294	34%	0.341	S	S	.	.			trans	-74.1	125.7	173.1	-53.4	0	0	0	0	109.5	F71 S76 L79	T67-F71 HydrophobicContact CG2-CB 3.36Å; T67-F71 HydrophobicContact CG2-CD2 4.16Å; T67-F71 HydrophobicContact CG2-CG 4.18Å; T67-S76 PolarHBondContact OG1-OG 2.81Å; T67-L79 WeakPolarHBondContact OG1-CD1 3.42Å
68	P	77.4	Confident	78.9	Confident	25 Å²	25	72.9 Å²	72.9	16%	0.162	35%	0.353	C	S	.	.			trans	-55.8	145.9	170.5	-25.2	35.3	0	0	0	111	N63 F66 E70 F71	N63-P68 HydrophobicContact CB-CG 4.15Å; N63-P68 WeakPolarHBondContact OD1-CG 3.3Å; F66-P68 WeakPolarHBondContact O-CD 3.34Å; P68-E70 WeakPolarHBondContact CB-OE2 3.36Å; P68-E70 PolarHBondContact O-N 3.03Å; P68-E70 VanDerWaalsContact O-N 3.08Å; P68-F71 HydrophobicContact CB-CD1 3.92Å; P68-F71 HydrophobicContact CB-CE1 4.2Å; P68-F71 HydrophobicContact CB-CG 4.23Å; P68-F71 HydrophobicContact CG-CD1 3.98Å; P68-F71 HydrophobicContact CG-CD2 4.18Å; P68-F71 HydrophobicContact CG-CE1 3.92Å; P68-F71 HydrophobicContact CG-CE2 4.12Å; P68-F71 HydrophobicContact CG-CG 4.13Å; P68-F71 HydrophobicContact CG-CZ 3.99Å; P68-F71 WeakPolarHBondContact O-CB 3.2Å; P68-F71 PolarHBondContact O-N 2.98Å
69	P	78	Confident	78.4	Confident	125 Å²	125	72.9 Å²	72.9	81%	0.812	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-28.2	-179	-25.8	34.7	0	0	0	114.4	F71	P69-F71 VanDerWaalsContact C-N 3.28Å
70	E	80	Confident	78.2	Confident	149 Å²	149	71.5 Å²	71.5	70%	0.696	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-13.1	-178.6	-52.4	75.4	-162.3	0	0	112.7	P68 T72	P68-E70 WeakPolarHBondContact CB-OE2 3.36Å; P68-E70 PolarHBondContact O-N 3.03Å; P68-E70 VanDerWaalsContact O-N 3.08Å; E70-T72 PolarHBondContact O-N 3.08Å
71	F	73.3	Confident	78.3	Confident	64 Å²	64	73.1 Å²	73.1	28%	0.281	35%	0.352	S	S	.	.			trans	-78.5	125.4	-176.8	-83.6	27.3	0	0	0	110.3	T67 P68 P69 Q75	T67-F71 HydrophobicContact CG2-CB 3.36Å; T67-F71 HydrophobicContact CG2-CD2 4.16Å; T67-F71 HydrophobicContact CG2-CG 4.18Å; P68-F71 HydrophobicContact CB-CD1 3.92Å; P68-F71 HydrophobicContact CB-CE1 4.2Å; P68-F71 HydrophobicContact CB-CG 4.23Å; P68-F71 HydrophobicContact CG-CD1 3.98Å; P68-F71 HydrophobicContact CG-CD2 4.18Å; P68-F71 HydrophobicContact CG-CE1 3.92Å; P68-F71 HydrophobicContact CG-CE2 4.12Å; P68-F71 HydrophobicContact CG-CG 4.13Å; P68-F71 HydrophobicContact CG-CZ 3.99Å; P68-F71 WeakPolarHBondContact O-CB 3.2Å; P68-F71 PolarHBondContact O-N 2.98Å; P69-F71 VanDerWaalsContact C-N 3.28Å; F71-Q75 HydrophobicContact CB-CB 3.71Å; F71-Q75 HydrophobicContact CD1-CB 4.36Å; F71-Q75 HydrophobicContact CD2-CB 3.5Å; F71-Q75 VanDerWaalsContact CD2-CB 3.5Å; F71-Q75 HydrophobicContact CE2-CB 4.2Å; F71-Q75 HydrophobicContact CG-CB 3.58Å; F71-Q75 HydrophobicContact CG-CG 4.49Å
72	T	70.7	Confident	78.5	Confident	75 Å²	75	70.8 Å²	70.8	46%	0.46	34%	0.339	S	S	.	.			trans	-60.7	160.8	166.5	60.1	0	0	0	0	110.5	E70 L74 Q75 S76	E70-T72 PolarHBondContact O-N 3.08Å; T72-L74 PolarHBondContact O-N 3.48Å; T72-Q75 PolarHBondContact O-N 2.92Å; T72-Q75 PolarHBondContact OG1-N 2.86Å; T72-Q75 PolarHBondContact OG1-OE1 3.09Å; T72-S76 PolarHBondContact O-N 3.28Å
73	K	67.8	Low	78.9	Confident	186 Å²	186	62.7 Å²	62.7	81%	0.809	31%	0.31	S	S	*	.	H	α-helix	trans	-50.2	-33.2	170.7	-74.1	-170.8	177.6	-173.4	0	112.4	S76	K73-S76 WeakPolarHBondContact O-CB 3.49Å; K73-S76 PolarHBondContact O-N 2.76Å
74	L	66.8	Low	79.5	Confident	99 Å²	99	60 Å²	60	52%	0.518	30%	0.296	S	S	.	.	H	α-helix	trans	-64.8	-42.7	175.9	-64.1	174.4	0	0	0	112.3	T72 S76 R77 F154	T72-L74 PolarHBondContact O-N 3.48Å; L74-S76 VanDerWaalsContact C-N 3.33Å; L74-R77 WeakPolarHBondContact O-CB 3.37Å; L74-R77 PolarHBondContact O-N 2.97Å; L74-F154 HydrophobicContact CD2-CD2 3.57Å; L74-F154 HydrophobicContact CD2-CE2 3.76Å
75	Q	66.3	Low	79.8	Confident	66 Å²	66	61.4 Å²	61.4	31%	0.308	30%	0.304	S	S	.	.	H	α-helix	trans	-72.9	-27.8	178.2	-70.2	166.1	-61.5	0	0	112.2	F71 T72 R77 R78	F71-Q75 HydrophobicContact CB-CB 3.71Å; F71-Q75 HydrophobicContact CD1-CB 4.36Å; F71-Q75 HydrophobicContact CD2-CB 3.5Å; F71-Q75 VanDerWaalsContact CD2-CB 3.5Å; F71-Q75 HydrophobicContact CE2-CB 4.2Å; F71-Q75 HydrophobicContact CG-CB 3.58Å; F71-Q75 HydrophobicContact CG-CG 4.49Å; T72-Q75 PolarHBondContact O-N 2.92Å; T72-Q75 PolarHBondContact OG1-N 2.86Å; T72-Q75 PolarHBondContact OG1-OE1 3.09Å; Q75-R77 PolarHBondContact O-N 2.87Å; Q75-R78 VanDerWaalsContact O-CB 3.32Å; Q75-R78 WeakPolarHBondContact O-CB 3.37Å; Q75-R78 PolarHBondContact O-N 2.8Å
76	S	62.3	Low	80	Confident	22 Å²	22	63.3 Å²	63.3	15%	0.154	33%	0.326	C	S	.	.	H	α-helix	trans	-57.4	-30.8	170.6	-163.7	0	0	0	0	112.7	T67 T72 K73 L74 R78 L79	T67-S76 PolarHBondContact OG1-OG 2.81Å; T72-S76 PolarHBondContact O-N 3.28Å; K73-S76 WeakPolarHBondContact O-CB 3.49Å; K73-S76 PolarHBondContact O-N 2.76Å; L74-S76 VanDerWaalsContact C-N 3.33Å; S76-R78 PolarHBondContact O-N 2.84Å; S76-R78 VanDerWaalsContact O-N 3.14Å; S76-L79 WeakPolarHBondContact O-CG 3.49Å; S76-L79 PolarHBondContact O-N 3.24Å
77	R	64.8	Low	80.3	Confident	35 Å²	35	65.4 Å²	65.4	13%	0.132	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-10.3	175.3	-55.2	-173.5	134	172.2	1.3	113.5	L74 Q75 W155	L74-R77 WeakPolarHBondContact O-CB 3.37Å; L74-R77 PolarHBondContact O-N 2.97Å; Q75-R77 PolarHBondContact O-N 2.87Å; R77-W155 PolarHBondContact NH2-O 3.14Å; R77-W155 VanDerWaalsContact NH2-O 3.08Å
78	R	75.1	Confident	81.2	Confident	139 Å²	139	66.1 Å²	66.1	53%	0.525	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-4.4	-179.5	-53.3	-164.8	168.4	165.8	-0.2	113.2	D61 Q75 S76 L80 S151	D61-R78 VanDerWaalsContact CB-O 3.25Å; D61-R78 WeakPolarHBondContact CB-O 3.45Å; Q75-R78 VanDerWaalsContact O-CB 3.32Å; Q75-R78 WeakPolarHBondContact O-CB 3.37Å; Q75-R78 PolarHBondContact O-N 2.8Å; S76-R78 PolarHBondContact O-N 2.84Å; S76-R78 VanDerWaalsContact O-N 3.14Å; R78-L80 VanDerWaalsContact C-N 3.28Å; R78-L80 PolarHBondContact O-N 3.26Å; R78-S151 PolarHBondContact NE-O 2.72Å
79	L	82.1	Confident	82.2	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.344	C	S	.	.	S	Bend	trans	-63.2	-36.7	179.7	-69.5	-173.3	0	0	0	112.9	D61 N63 T67 S76	D61-L79 PolarHBondContact N-O 3.39Å; N63-L79 HydrophobicContact CB-CD2 3.4Å; T67-L79 WeakPolarHBondContact OG1-CD1 3.42Å; S76-L79 WeakPolarHBondContact O-CG 3.49Å; S76-L79 PolarHBondContact O-N 3.24Å
80	L	87.2	Confident	83.1	Confident	10 Å²	10	60.3 Å²	60.3	5%	0.052	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	127.7	-176	170.1	58	0	0	0	109.1	F58 T59 F60 Y64 R78 V82 W110 I119	F58-L80 HydrophobicContact CB-CD1 4.16Å; F58-L80 HydrophobicContact CD1-CD1 3.99Å; F58-L80 HydrophobicContact CD1-CD2 4.31Å; T59-L80 WeakPolarHBondContact O-CA 3.31Å; F60-L80 HydrophobicContact CD1-CD1 3.6Å; F60-L80 HydrophobicContact CE1-CD1 3.56Å; F60-L80 HydrophobicContact CE1-CD2 4.26Å; F60-L80 HydrophobicContact CE1-CG 4.48Å; F60-L80 HydrophobicContact CG-CD1 4.29Å; F60-L80 HydrophobicContact CZ-CD1 4.23Å; Y64-L80 HydrophobicContact CD2-CB 4.11Å; Y64-L80 HydrophobicContact CE2-CB 4.18Å; Y64-L80 HydrophobicContact CE2-CD2 4.02Å; R78-L80 VanDerWaalsContact C-N 3.28Å; R78-L80 PolarHBondContact O-N 3.26Å; L80-V82 HydrophobicContact CD1-CG2 3.88Å; L80-V82 HydrophobicContact CD2-CG2 4.05Å; L80-V82 HydrophobicContact CG-CG2 3.79Å; L80-W110 HydrophobicContact CD2-CH2 3.87Å; L80-W110 HydrophobicContact CD2-CZ3 3.87Å; L80-I119 HydrophobicContact CD2-CD1 3.21Å; L80-I119 HydrophobicContact CG-CD1 4.49Å
81	Q	90.3	Very high	84	Confident	39 Å²	39	55.8 Å²	55.8	18%	0.182	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	128.6	171	168.3	172.6	97.9	0	0	109.2	F58 T59 I83 S149 P150	F58-Q81 CarbonylContact C-O 3.56Å; F58-Q81 WeakPolarHBondContact CA-O 3.4Å; T59-Q81 PolarHBondContact N-O 2.92Å; T59-Q81 PolarHBondContact O-N 3.24Å; Q81-I83 HydrophobicContact CG-CG2 4.17Å; Q81-S149 PolarHBondContact NE2-OG 3.2Å; Q81-P150 HydrophobicContact CG-CG 3.74Å
82	V	94	Very high	85.2	Confident	6 Å²	6	53 Å²	53	4%	0.036	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	121.6	175.1	-172.9	0	0	0	0	109	L56 Q57 F58 L80 I101 L106 I119 I123	L56-V82 HydrophobicContact CB-CG1 4.49Å; L56-V82 HydrophobicContact CD1-CG1 4.41Å; L56-V82 HydrophobicContact CD2-CG1 4.14Å; Q57-V82 WeakPolarHBondContact O-CA 3.49Å; F58-V82 HydrophobicContact CD1-CG1 4.45Å; F58-V82 HydrophobicContact CD1-CG2 3.55Å; F58-V82 HydrophobicContact CD2-CG1 4.24Å; F58-V82 HydrophobicContact CE1-CG1 4.2Å; F58-V82 HydrophobicContact CE1-CG2 3.67Å; F58-V82 HydrophobicContact CE2-CG1 3.95Å; F58-V82 HydrophobicContact CG-CG1 4.46Å; F58-V82 HydrophobicContact CG-CG2 4.05Å; F58-V82 HydrophobicContact CZ-CG1 3.92Å; F58-V82 HydrophobicContact CZ-CG2 4.26Å; L80-V82 HydrophobicContact CD1-CG2 3.88Å; L80-V82 HydrophobicContact CD2-CG2 4.05Å; L80-V82 HydrophobicContact CG-CG2 3.79Å; V82-I101 HydrophobicContact CG1-CD1 4.34Å; V82-L106 HydrophobicContact CB-CD1 4.12Å; V82-L106 HydrophobicContact CB-CD2 3.85Å; V82-L106 HydrophobicContact CG2-CD2 3.71Å; V82-I119 HydrophobicContact CG1-CG2 4.36Å; V82-I119 HydrophobicContact CG2-CD1 4.44Å; V82-I119 HydrophobicContact CG2-CG2 4.29Å; V82-I123 HydrophobicContact CG1-CD1 3.96Å
83	I	95	Very high	86.4	Confident	17 Å²	17	51.1 Å²	51.1	9%	0.087	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	150.3	179.8	60.6	168.9	0	0	0	110.2	L56 Q57 Q81 V85 G99 P150	L56-I83 CarbonylContact C-O 3.6Å; L56-I83 WeakPolarHBondContact CA-O 3.5Å; Q57-I83 HydrophobicContact CB-CG1 4.27Å; Q57-I83 PolarHBondContact N-O 3.46Å; Q57-I83 PolarHBondContact O-N 3.02Å; Q57-I83 VanDerWaalsContact O-N 3.09Å; Q81-I83 HydrophobicContact CG-CG2 4.17Å; I83-V85 HydrophobicContact CD1-CG1 3.86Å; I83-V85 HydrophobicContact CG1-CG1 3.84Å; I83-G99 WeakPolarHBondContact CA-O 3.39Å; I83-P150 HydrophobicContact CG2-CG 3.76Å
84	F	97.2	Very high	87.8	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.009	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	139	163.2	-72.9	-80	0	0	0	109.8	L41 F54 K55 L56 I89 P90 V95 G99 I101 I123 L127	L41-F84 HydrophobicContact CD1-CE1 4.37Å; F54-F84 HydrophobicContact CB-CD1 3.85Å; F54-F84 HydrophobicContact CB-CE1 3.74Å; F54-F84 HydrophobicContact CG-CE1 4.24Å; K55-F84 CarbonylContact O-C 3.55Å; K55-F84 VanDerWaalsContact O-CA 3.3Å; K55-F84 WeakPolarHBondContact O-CA 3.35Å; L56-F84 HydrophobicContact CD2-CD1 3.5Å; L56-F84 VanDerWaalsContact CD2-CD1 3.5Å; L56-F84 HydrophobicContact CD2-CD2 3.97Å; L56-F84 HydrophobicContact CD2-CE1 3.5Å; L56-F84 HydrophobicContact CD2-CE2 3.98Å; L56-F84 HydrophobicContact CD2-CG 3.74Å; L56-F84 HydrophobicContact CD2-CZ 3.75Å; L56-F84 HydrophobicContact CG-CD1 4.18Å; L56-F84 HydrophobicContact CG-CE1 4Å; F84-I89 HydrophobicContact CB-CD1 3.66Å; F84-I89 HydrophobicContact CB-CG2 4.17Å; F84-P90 HydrophobicContact CD1-CG 3.87Å; F84-P90 HydrophobicContact CD2-CG 3.86Å; F84-P90 HydrophobicContact CE1-CG 3.66Å; F84-P90 HydrophobicContact CE2-CG 3.64Å; F84-P90 HydrophobicContact CG-CG 3.96Å; F84-P90 HydrophobicContact CZ-CG 3.54Å; F84-V95 HydrophobicContact CD2-CG1 3.64Å; F84-V95 HydrophobicContact CD2-CG2 4.13Å; F84-V95 HydrophobicContact CE2-CG1 4.07Å; F84-V95 HydrophobicContact CE2-CG2 3.7Å; F84-G99 PolarHBondContact N-O 2.9Å; F84-G99 WeakPolarHBondContact O-CA 3.25Å; F84-I101 HydrophobicContact CD2-CD1 3.61Å; F84-I101 HydrophobicContact CD2-CG1 3.68Å; F84-I101 HydrophobicContact CE2-CD1 3.49Å; F84-I101 VanDerWaalsContact CE2-CD1 3.49Å; F84-I101 HydrophobicContact CE2-CG1 3.8Å; F84-I101 HydrophobicContact CZ-CD1 4.36Å; F84-I123 HydrophobicContact CE2-CG2 4.21Å; F84-I123 HydrophobicContact CZ-CG2 3.62Å; F84-L127 HydrophobicContact CZ-CD1 4.14Å
85	V	95.1	Very high	89.2	Confident	34 Å²	34	41.4 Å²	41.4	21%	0.206	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	165.6	178.6	-62.5	0	0	0	0	111	T38 K55 Q57 I83	T38-V85 HydrophobicContact CG2-CG2 4.5Å; K55-V85 HydrophobicContact CB-CG2 3.76Å; K55-V85 PolarHBondContact O-N 3.25Å; Q57-V85 HydrophobicContact CB-CB 4.5Å; Q57-V85 HydrophobicContact CB-CG1 3.6Å; Q57-V85 HydrophobicContact CB-CG2 4.04Å; I83-V85 HydrophobicContact CD1-CG1 3.86Å; I83-V85 HydrophobicContact CG1-CG1 3.84Å
86	G	92.9	Very high	90.6	Very high	50 Å²	50	38.4 Å²	38.4	52%	0.515	21%	0.206	S	C	.	.	S	Bend	trans	85.3	-171.8	-177.3	0	0	0	0	0	113.4	N88	G86-N88 VanDerWaalsContact C-N 3.33Å; G86-N88 PolarHBondContact O-N 3.33Å
87	D	93	Very high	92.2	Very high	182 Å²	182	39.8 Å²	39.8	97%	0.973	22%	0.216	S	C	*	.	S	Bend	trans	-78.4	-19	-171.2	-58.4	-39	0	0	0	113.5
88	N	96.3	Very high	93.5	Very high	64 Å²	64	40.3 Å²	40.3	34%	0.342	22%	0.221	S	C	.	.			trans	-106.3	89.6	-179.5	-171.5	23.1	0	0	0	110.7	T53 F54 G86	T53-N88 PolarHBondContact O-ND2 2.93Å; F54-N88 HydrophobicContact CD1-CB 4.49Å; F54-N88 WeakPolarHBondContact CD1-ND2 3.42Å; F54-N88 WeakPolarHBondContact CD1-O 3.42Å; F54-N88 VanDerWaalsContact CE1-ND2 3.25Å; F54-N88 WeakPolarHBondContact CE1-ND2 3.45Å; G86-N88 VanDerWaalsContact C-N 3.33Å; G86-N88 PolarHBondContact O-N 3.33Å
89	I	98	Very high	94.5	Very high	26 Å²	26	33.7 Å²	33.7	13%	0.133	20%	0.196	C	C	.	.			trans	-97	120.1	173	-53.4	-59	0	0	0	109.1	F84 V91 V95 R135	F84-I89 HydrophobicContact CB-CD1 3.66Å; F84-I89 HydrophobicContact CB-CG2 4.17Å; I89-V91 PolarHBondContact O-N 2.82Å; I89-V95 HydrophobicContact CG2-CG1 3.87Å; I89-R135 PolarHBondContact O-NH2 3.01Å
90	P	98	Very high	95.1	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	20%	0.197	C	C	.	.			trans	-60.9	134.5	-174.1	22.8	-29.5	0	0	0	111.1	Y49 F54 F84 H92 V95 L127 R135	Y49-P90 HydrophobicContact CD1-CB 4.24Å; Y49-P90 HydrophobicContact CE1-CB 3.85Å; F54-P90 HydrophobicContact CD1-CB 4Å; F54-P90 HydrophobicContact CD1-CG 4.04Å; F54-P90 HydrophobicContact CE1-CB 3.65Å; F54-P90 HydrophobicContact CE1-CG 4.21Å; F54-P90 HydrophobicContact CG-CG 4.4Å; F54-P90 HydrophobicContact CZ-CB 3.95Å; F84-P90 HydrophobicContact CD1-CG 3.87Å; F84-P90 HydrophobicContact CD2-CG 3.86Å; F84-P90 HydrophobicContact CE1-CG 3.66Å; F84-P90 HydrophobicContact CE2-CG 3.64Å; F84-P90 HydrophobicContact CG-CG 3.96Å; F84-P90 HydrophobicContact CZ-CG 3.54Å; P90-H92 PolarHBondContact O-N 2.97Å; P90-V95 HydrophobicContact CG-CG1 4.17Å; P90-V95 HydrophobicContact CG-CG2 4.39Å; P90-L127 HydrophobicContact CB-CD2 3.98Å; P90-L127 HydrophobicContact CG-CD2 4.18Å; P90-R135 PolarHBondContact O-NH1 3.21Å
91	V	98.3	Very high	95.4	Very high	54 Å²	54	33.7 Å²	33.7	33%	0.327	20%	0.196	S	C	.	.			trans	-81.4	97.4	173.7	-178.7	0	0	0	0	108.3	Y49 I89 K133 R135	Y49-V91 PolarHBondContact OH-O 2.83Å; I89-V91 PolarHBondContact O-N 2.82Å; V91-K133 HydrophobicContact CB-CB 4.25Å; V91-K133 HydrophobicContact CG1-CB 4.14Å; V91-K133 WeakPolarHBondContact O-CA 3.28Å; V91-R135 HydrophobicContact CG1-CG 4.29Å
92	H	98	Very high	95.5	Very high	5 Å²	5	32 Å²	32	2%	0.023	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-140.3	145.3	-173.5	-176.8	-93.3	0	0	0	111.3	Y49 P90 H94 V95 M126 L127 C130 K134 P136	Y49-H92 WeakPolarHBondContact OH-CB 3.38Å; Y49-H92 PolarHBondContact OH-CD2 3.42Å; Y49-H92 VanDerWaalsContact OH-CD2 3.31Å; P90-H92 PolarHBondContact O-N 2.97Å; H92-H94 AromaticContact CE1-CD2 3.58Å; H92-H94 PolarHBondContact ND1-N 3.11Å; H92-H94 PolarHBondContact O-N 2.96Å; H92-V95 HydrophobicContact CB-CB 3.97Å; H92-V95 HydrophobicContact CB-CG2 3.81Å; H92-V95 PolarHBondContact O-N 3.01Å; H92-M126 WeakPolarHBondContact CE1-CG 3.24Å; H92-M126 PolarHBondContact NE2-O 3.4Å; H92-L127 HydrophobicContact CB-CD2 4.19Å; H92-C130 PolarHBondContact CD2-SG 3.37Å; H92-K134 CarbonylContact C-O 2.77Å; H92-K134 VanDerWaalsContact CA-O 3.24Å; H92-K134 WeakPolarHBondContact CA-O 3.22Å; H92-K134 PolarHBondContact N-O 3.21Å; H92-K134 VanDerWaalsContact O-O 3.11Å; H92-P136 WeakPolarHBondContact O-CD 3.42Å
93	P	96.7	Very high	95.4	Very high	37 Å²	37	33.2 Å²	33.2	24%	0.24	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-17.1	-178.1	-27.8	33.7	0	0	0	115.7	K134 P136	P93-K134 WeakPolarHBondContact CD-O 3.48Å; P93-K134 HydrophobicContact CG-CG 3.8Å; P93-P136 WeakPolarHBondContact O-CG 3.37Å
94	H	95.9	Very high	95.1	Very high	80 Å²	80	33.8 Å²	33.8	37%	0.37	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	12.5	178.6	-62.6	-70	0	0	0	113.5	H92 C102 M126	H92-H94 AromaticContact CE1-CD2 3.58Å; H92-H94 PolarHBondContact ND1-N 3.11Å; H92-H94 PolarHBondContact O-N 2.96Å; H94-C102 HydrophobicContact CB-CB 4.3Å; H94-C102 WeakPolarHBondContact CB-O 3.2Å; H94-C102 PolarHBondContact O-N 3.31Å; H94-M126 HydrophobicContact CB-SD 3.75Å
95	V	96.7	Very high	94.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-125.7	115.7	178.4	-177.4	0	0	0	0	110.6	F84 I89 P90 H92 H100 M126 R135 P136	F84-V95 HydrophobicContact CD2-CG1 3.64Å; F84-V95 HydrophobicContact CD2-CG2 4.13Å; F84-V95 HydrophobicContact CE2-CG1 4.07Å; F84-V95 HydrophobicContact CE2-CG2 3.7Å; I89-V95 HydrophobicContact CG2-CG1 3.87Å; P90-V95 HydrophobicContact CG-CG1 4.17Å; P90-V95 HydrophobicContact CG-CG2 4.39Å; H92-V95 HydrophobicContact CB-CB 3.97Å; H92-V95 HydrophobicContact CB-CG2 3.81Å; H92-V95 PolarHBondContact O-N 3.01Å; V95-H100 WeakPolarHBondContact CA-O 3.42Å; V95-M126 HydrophobicContact CG2-CE 3.83Å; V95-R135 PolarHBondContact O-NH1 3.01Å; V95-P136 VanDerWaalsContact O-CD 3.27Å; V95-P136 WeakPolarHBondContact O-CD 3.37Å
96	Y	95.5	Very high	94.4	Very high	3 Å²	3	34.3 Å²	34.3	1%	0.012	20%	0.202	C	C	.	.			trans	-73.3	153.2	176.7	-68.9	-91.9	0	0	0	110.8	N98 G99 H100 C102 R135 P136 D138 N139 Y142 W155 L162	Y96-N98 WeakPolarHBondContact CB-OD1 3.45Å; Y96-N98 PolarHBondContact O-N 2.79Å; Y96-G99 WeakPolarHBondContact O-CA 3.46Å; Y96-G99 PolarHBondContact O-N 3.45Å; Y96-H100 HydrophobicContact CD2-CB 4.36Å; Y96-H100 PolarHBondContact N-O 2.99Å; Y96-C102 HydrophobicContact CE2-CB 4.05Å; Y96-R135 PolarHBondContact O-NH1 2.92Å; Y96-P136 HydrophobicContact CD1-CB 4.35Å; Y96-P136 HydrophobicContact CD1-CG 4.02Å; Y96-P136 HydrophobicContact CD2-CG 4.01Å; Y96-P136 HydrophobicContact CE1-CB 3.65Å; Y96-P136 HydrophobicContact CE1-CG 3.75Å; Y96-P136 HydrophobicContact CE2-CB 4.12Å; Y96-P136 HydrophobicContact CE2-CG 3.65Å; Y96-P136 HydrophobicContact CG-CG 4.13Å; Y96-P136 VanDerWaalsContact CZ-CB 3.48Å; Y96-P136 WeakPolarHBondContact OH-CB 3.36Å; Y96-D138 WeakPolarHBondContact CE1-OD1 3.16Å; Y96-D138 PolarHBondContact OH-OD1 3.31Å; Y96-D138 PolarHBondContact OH-OD2 3.47Å; Y96-N139 WeakPolarHBondContact CA-OD1 3.32Å; Y96-N139 HydrophobicContact CD1-CB 4.32Å; Y96-Y142 AromaticContact CD1-CD1 3.18Å; Y96-Y142 HydrophobicContact CD1-CD1 3.18Å; Y96-Y142 HydrophobicContact CD1-CD2 4.39Å; Y96-Y142 AromaticContact CD1-CE1 3.97Å; Y96-Y142 HydrophobicContact CD1-CE1 3.97Å; Y96-Y142 AromaticContact CD1-CG 3.45Å; Y96-Y142 HydrophobicContact CD1-CG 3.45Å; Y96-Y142 VanDerWaalsContact CD1-CG 3.45Å; Y96-Y142 HydrophobicContact CD2-CD1 4.25Å; Y96-Y142 HydrophobicContact CD2-CE1 4.24Å; Y96-Y142 AromaticContact CE1-CD1 3.7Å; Y96-Y142 HydrophobicContact CE1-CD1 3.7Å; Y96-Y142 HydrophobicContact CE1-CD2 4.08Å; Y96-Y142 AromaticContact CE1-CG 3.43Å; Y96-Y142 HydrophobicContact CE1-CG 3.43Å; Y96-Y142 VanDerWaalsContact CE1-CG 3.43Å; Y96-Y142 AromaticContact CG-CD1 3.51Å; Y96-Y142 HydrophobicContact CG-CD1 3.51Å; Y96-Y142 AromaticContact CG-CE1 3.82Å; Y96-Y142 HydrophobicContact CG-CE1 3.82Å; Y96-Y142 HydrophobicContact CG-CG 4.13Å; Y96-W155 HydrophobicContact CD1-CH2 4.36Å; Y96-W155 AromaticContact CD2-CH2 3.51Å; Y96-W155 HydrophobicContact CD2-CH2 3.51Å; Y96-W155 AromaticContact CD2-CZ2 3.92Å; Y96-W155 HydrophobicContact CD2-CZ2 3.92Å; Y96-W155 HydrophobicContact CD2-CZ3 4.49Å; Y96-W155 AromaticContact CE1-CH2 3.83Å; Y96-W155 HydrophobicContact CE1-CH2 3.83Å; Y96-W155 HydrophobicContact CE1-CZ3 4.19Å; Y96-W155 AromaticContact CE2-CH2 2.9Å; Y96-W155 HydrophobicContact CE2-CH2 2.9Å; Y96-W155 AromaticContact CE2-CZ2 3.61Å; Y96-W155 HydrophobicContact CE2-CZ2 3.61Å; Y96-W155 AromaticContact CE2-CZ3 3.53Å; Y96-W155 HydrophobicContact CE2-CZ3 3.53Å; Y96-W155 HydrophobicContact CG-CH2 4.23Å; Y96-W155 AromaticContact CZ-CH2 3.09Å; Y96-W155 AromaticContact CZ-CZ3 3.33Å; Y96-W155 WeakPolarHBondContact OH-CH2 3.4Å; Y96-W155 WeakPolarHBondContact OH-CZ3 3.47Å; Y96-L162 WeakPolarHBondContact OH-CD2 3.18Å
97	S	95.4	Very high	94	Very high	52 Å²	52	32.3 Å²	32.3	36%	0.364	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-20.8	-179.6	51.2	0	0	0	0	114.2	G99 N139	S97-G99 VanDerWaalsContact C-N 3.25Å; S97-G99 PolarHBondContact O-N 3.22Å; S97-N139 PolarHBondContact N-OD1 3.21Å; S97-N139 PolarHBondContact OG-ND2 3.39Å; S97-N139 PolarHBondContact OG-OD1 3.38Å; S97-N139 VanDerWaalsContact OG-OD1 3.04Å
98	N	93.3	Very high	93.4	Very high	45 Å²	45	29 Å²	29	24%	0.241	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	7.8	170.3	68.1	-8.3	0	0	0	113.6	Y96 H100 V143	Y96-N98 WeakPolarHBondContact CB-OD1 3.45Å; Y96-N98 PolarHBondContact O-N 2.79Å; N98-H100 PolarHBondContact ND2-CE1 3.09Å; N98-H100 PolarHBondContact ND2-ND1 3.29Å; N98-H100 PolarHBondContact ND2-NE2 3Å; N98-H100 WeakPolarHBondContact OD1-CB 3.47Å; N98-H100 PolarHBondContact OD1-CD2 2.98Å; N98-H100 VanDerWaalsContact OD1-CG 3.31Å; N98-H100 PolarHBondContact OD1-N 3.25Å; N98-V143 HydrophobicContact CB-CG1 4.26Å; N98-V143 HydrophobicContact CB-CG2 4.1Å
99	G	95.8	Very high	92.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	89.2	-5.9	177.4	0	0	0	0	0	115.3	I83 F84 Y96 S97	I83-G99 WeakPolarHBondContact CA-O 3.39Å; F84-G99 PolarHBondContact N-O 2.9Å; F84-G99 WeakPolarHBondContact O-CA 3.25Å; Y96-G99 WeakPolarHBondContact O-CA 3.46Å; Y96-G99 PolarHBondContact O-N 3.45Å; S97-G99 VanDerWaalsContact C-N 3.25Å; S97-G99 PolarHBondContact O-N 3.22Å
100	H	94.6	Very high	92.4	Very high	3 Å²	3	30.4 Å²	30.4	1%	0.014	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-67.1	144.9	179.9	-62.4	-173.9	0	0	0	111.1	V95 Y96 N98 Y142 G147 P150	V95-H100 WeakPolarHBondContact CA-O 3.42Å; Y96-H100 HydrophobicContact CD2-CB 4.36Å; Y96-H100 PolarHBondContact N-O 2.99Å; N98-H100 PolarHBondContact ND2-CE1 3.09Å; N98-H100 PolarHBondContact ND2-ND1 3.29Å; N98-H100 PolarHBondContact ND2-NE2 3Å; N98-H100 WeakPolarHBondContact OD1-CB 3.47Å; N98-H100 PolarHBondContact OD1-CD2 2.98Å; N98-H100 VanDerWaalsContact OD1-CG 3.31Å; N98-H100 PolarHBondContact OD1-N 3.25Å; H100-Y142 HydrophobicContact CB-CE1 3.93Å; H100-Y142 AromaticContact CG-CE1 3.92Å; H100-Y142 AromaticContact ND1-CE1 3.32Å; H100-Y142 VanDerWaalsContact ND1-CE1 3.32Å; H100-Y142 WeakPolarHBondContact ND1-CE1 3.38Å; H100-Y142 AromaticContact ND1-CZ 3.43Å; H100-Y142 PolarHBondContact ND1-OH 2.95Å; H100-G147 PolarHBondContact CE1-O 2.88Å; H100-P150 HydrophobicContact CB-CB 4.27Å; H100-P150 VanDerWaalsContact CE1-CD 3.43Å; H100-P150 WeakPolarHBondContact CE1-CD 3.39Å; H100-P150 VanDerWaalsContact CE1-N 3.3Å; H100-P150 WeakPolarHBondContact NE2-CD 3.25Å
101	I	94.4	Very high	92	Very high	8 Å²	8	32.8 Å²	32.8	4%	0.041	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-117.4	127	-173.4	-50.7	174.9	0	0	0	109.4	L56 V82 F84 L103 L106 I123 M126	L56-I101 HydrophobicContact CD2-CD1 3.72Å; V82-I101 HydrophobicContact CG1-CD1 4.34Å; F84-I101 HydrophobicContact CD2-CD1 3.61Å; F84-I101 HydrophobicContact CD2-CG1 3.68Å; F84-I101 HydrophobicContact CE2-CD1 3.49Å; F84-I101 VanDerWaalsContact CE2-CD1 3.49Å; F84-I101 HydrophobicContact CE2-CG1 3.8Å; F84-I101 HydrophobicContact CZ-CD1 4.36Å; I101-L103 HydrophobicContact CG2-CB 3.94Å; I101-L103 PolarHBondContact O-N 3.49Å; I101-L106 HydrophobicContact CB-CD1 3.83Å; I101-L106 HydrophobicContact CD1-CD1 4.44Å; I101-L106 HydrophobicContact CG2-CD1 4.04Å; I101-I123 HydrophobicContact CD1-CD1 3.78Å; I101-I123 HydrophobicContact CD1-CG1 4.44Å; I101-M126 HydrophobicContact CG2-CE 4.19Å; I101-M126 HydrophobicContact CG2-SD 4.38Å
102	C	91.9	Very high	91.5	Very high	4 Å²	4	32.3 Å²	32.3	3%	0.027	18%	0.18	C	C	.	.			trans	-95.9	79.1	175.6	-169.1	0	0	0	0	109.1	H94 Y96 W155 Y157	H94-C102 HydrophobicContact CB-CB 4.3Å; H94-C102 WeakPolarHBondContact CB-O 3.2Å; H94-C102 PolarHBondContact O-N 3.31Å; Y96-C102 HydrophobicContact CE2-CB 4.05Å; C102-W155 HydrophobicContact CB-CD2 4.41Å; C102-Y157 WeakPolarHBondContact CA-OH 3.43Å; C102-Y157 HydrophobicContact CB-CE1 4.48Å; C102-Y157 WeakPolarHBondContact SG-CE1 3.44Å; C102-Y157 VanDerWaalsContact SG-CZ 3.57Å; C102-Y157 PolarHBondContact SG-OH 2.88Å
103	L	91.2	Very high	91.2	Very high	31 Å²	31	36.2 Å²	36.2	16%	0.162	21%	0.213	C	C	.	.			trans	-131	129	176.6	-165.4	67.1	0	0	0	110.2	I101 I105 L106 I123 M126 Y157	I101-L103 HydrophobicContact CG2-CB 3.94Å; I101-L103 PolarHBondContact O-N 3.49Å; L103-I105 HydrophobicContact CD2-CD1 3.88Å; L103-I105 HydrophobicContact CD2-CG1 3.53Å; L103-I105 HydrophobicContact CG-CG1 3.74Å; L103-I105 PolarHBondContact O-N 3.04Å; L103-L106 HydrophobicContact CB-CD1 4.32Å; L103-L106 HydrophobicContact CB-CG 4.39Å; L103-L106 WeakPolarHBondContact O-CB 3.4Å; L103-L106 PolarHBondContact O-N 2.8Å; L103-I123 HydrophobicContact CD2-CG1 4.01Å; L103-M126 HydrophobicContact CD1-SD 4.09Å; L103-Y157 WeakPolarHBondContact CA-OH 3.43Å; L103-Y157 PolarHBondContact N-OH 3.21Å; L103-Y157 PolarHBondContact O-OH 3.26Å
104	S	88.5	Confident	91	Very high	29 Å²	29	36.2 Å²	36.2	20%	0.203	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-60.8	-31.7	-171.7	62.2	0	0	0	0	113.5	L106 G107 E108 D109 Y157	S104-L106 PolarHBondContact O-N 3.39Å; S104-G107 CarbonylContact O-C 3.27Å; S104-G107 VanDerWaalsContact O-C 3.27Å; S104-G107 WeakPolarHBondContact O-CA 3.37Å; S104-G107 PolarHBondContact O-N 2.76Å; S104-E108 PolarHBondContact O-N 3.07Å; S104-D109 WeakPolarHBondContact CB-OD2 3.28Å; S104-D109 PolarHBondContact O-N 3.36Å; S104-D109 PolarHBondContact OG-OD2 3.04Å; S104-Y157 PolarHBondContact N-OH 2.87Å
105	I	89.4	Confident	90.8	Very high	20 Å²	20	32.4 Å²	32.4	10%	0.103	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-64.9	-19.9	177.2	66.9	146.4	0	0	0	114.1	L103 D109 M114 I119	L103-I105 HydrophobicContact CD2-CD1 3.88Å; L103-I105 HydrophobicContact CD2-CG1 3.53Å; L103-I105 HydrophobicContact CG-CG1 3.74Å; L103-I105 PolarHBondContact O-N 3.04Å; I105-D109 HydrophobicContact CG2-CB 4.3Å; I105-M114 HydrophobicContact CB-CE 3.77Å; I105-M114 HydrophobicContact CB-SD 4.37Å; I105-M114 HydrophobicContact CD1-CE 4.33Å; I105-M114 HydrophobicContact CG2-CE 3.7Å; I105-I119 HydrophobicContact CD1-CB 4.37Å; I105-I119 HydrophobicContact CD1-CG1 4.02Å; I105-I119 HydrophobicContact CD1-CG2 4.46Å
106	L	88	Confident	90.6	Very high	27 Å²	27	32.4 Å²	32.4	14%	0.141	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-85.7	1.6	172.8	-58.5	178.9	0	0	0	111.6	V82 I101 L103 S104 I119	V82-L106 HydrophobicContact CB-CD1 4.12Å; V82-L106 HydrophobicContact CB-CD2 3.85Å; V82-L106 HydrophobicContact CG2-CD2 3.71Å; I101-L106 HydrophobicContact CB-CD1 3.83Å; I101-L106 HydrophobicContact CD1-CD1 4.44Å; I101-L106 HydrophobicContact CG2-CD1 4.04Å; L103-L106 HydrophobicContact CB-CD1 4.32Å; L103-L106 HydrophobicContact CB-CG 4.39Å; L103-L106 WeakPolarHBondContact O-CB 3.4Å; L103-L106 PolarHBondContact O-N 2.8Å; S104-L106 PolarHBondContact O-N 3.39Å; L106-I119 HydrophobicContact CD2-CD1 4.25Å; L106-I119 HydrophobicContact CD2-CG1 4.33Å; L106-I119 HydrophobicContact CD2-CG2 3.83Å
107	G	84.2	Confident	90.5	Very high	7 Å²	7	32.9 Å²	32.9	7%	0.072	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.3	-99.7	-175.3	0	0	0	0	0	112.5	S104 W110	S104-G107 CarbonylContact O-C 3.27Å; S104-G107 VanDerWaalsContact O-C 3.27Å; S104-G107 WeakPolarHBondContact O-CA 3.37Å; S104-G107 PolarHBondContact O-N 2.76Å; G107-W110 WeakPolarHBondContact O-CB 3.28Å; G107-W110 PolarHBondContact O-N 3.24Å
108	E	80.9	Confident	90.5	Very high	113 Å²	113	32.1 Å²	32.1	53%	0.528	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-29.1	-169.5	67.2	-169	151	0	0	114.3	S104 W110 Y157	S104-E108 PolarHBondContact O-N 3.07Å; E108-W110 VanDerWaalsContact C-N 3.32Å; E108-Y157 VanDerWaalsContact OE1-CD2 3.3Å; E108-Y157 WeakPolarHBondContact OE1-CD2 3.45Å
109	D	87	Confident	90.6	Very high	92 Å²	92	30 Å²	30	49%	0.492	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	5.8	179.4	-64.6	-27.1	0	0	0	112.1	S104 I105 S111	S104-D109 WeakPolarHBondContact CB-OD2 3.28Å; S104-D109 PolarHBondContact O-N 3.36Å; S104-D109 PolarHBondContact OG-OD2 3.04Å; I105-D109 HydrophobicContact CG2-CB 4.3Å; D109-S111 PolarHBondContact O-N 3.42Å
110	W	87.1	Confident	90.6	Very high	28 Å²	28	30 Å²	30	11%	0.106	18%	0.179	C	C	.	.			trans	-61.7	135.6	176.4	174.4	-101.6	0	0	0	110.9	Y64 L80 G107 E108 M114 I119	Y64-W110 AromaticContact CD2-CZ2 3.98Å; Y64-W110 HydrophobicContact CD2-CZ2 3.98Å; Y64-W110 AromaticContact CE2-CH2 3.47Å; Y64-W110 HydrophobicContact CE2-CH2 3.47Å; Y64-W110 VanDerWaalsContact CE2-CH2 3.47Å; Y64-W110 AromaticContact CE2-CZ2 3.26Å; Y64-W110 HydrophobicContact CE2-CZ2 3.26Å; Y64-W110 AromaticContact CZ-CH2 4Å; L80-W110 HydrophobicContact CD2-CH2 3.87Å; L80-W110 HydrophobicContact CD2-CZ3 3.87Å; G107-W110 WeakPolarHBondContact O-CB 3.28Å; G107-W110 PolarHBondContact O-N 3.24Å; E108-W110 VanDerWaalsContact C-N 3.32Å; W110-M114 HydrophobicContact CE3-CB 4.02Å; W110-M114 HydrophobicContact CE3-SD 4.15Å; W110-M114 HydrophobicContact CH2-CB 3.93Å; W110-M114 WeakPolarHBondContact CH2-O 3.44Å; W110-M114 HydrophobicContact CZ3-CB 3.51Å; W110-I119 HydrophobicContact CE3-CD1 4.33Å; W110-I119 HydrophobicContact CH2-CD1 4.23Å; W110-I119 HydrophobicContact CZ3-CD1 3.49Å; W110-I119 VanDerWaalsContact CZ3-CD1 3.49Å; W110-I119 HydrophobicContact CZ3-CG1 4.16Å
111	S	88.4	Confident	90.6	Very high	51 Å²	51	34.1 Å²	34.1	36%	0.357	20%	0.201	S	C	.	.			trans	-135.9	145.7	174.8	168.8	0	0	0	0	110.6	D109 A113 M114	D109-S111 PolarHBondContact O-N 3.42Å; S111-A113 PolarHBondContact O-N 2.89Å; S111-A113 PolarHBondContact OG-N 2.87Å; S111-M114 VanDerWaalsContact O-CB 3.31Å; S111-M114 WeakPolarHBondContact O-CB 3.36Å; S111-M114 PolarHBondContact O-N 3.39Å
112	P	89.3	Confident	90.8	Very high	44 Å²	44	35.6 Å²	35.6	29%	0.286	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-15.9	175.6	-22.4	31.3	0	0	0	114.9	R8 P65 F66 M114	R8-P112 PolarHBondContact NH1-O 2.93Å; R8-P112 PolarHBondContact NH2-O 3.49Å; P65-P112 HydrophobicContact CB-CB 4.21Å; P65-P112 HydrophobicContact CG-CB 4.4Å; P65-P112 WeakPolarHBondContact O-CG 3.41Å; F66-P112 HydrophobicContact CD1-CB 3.8Å; F66-P112 HydrophobicContact CD1-CG 3.71Å; F66-P112 HydrophobicContact CE1-CB 3.66Å; F66-P112 HydrophobicContact CE1-CG 3.99Å; F66-P112 HydrophobicContact CZ-CB 4.4Å; P112-M114 VanDerWaalsContact C-N 3.31Å
113	A	90.7	Very high	91	Very high	87 Å²	87	35.4 Å²	35.4	72%	0.719	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-21.5	173.8	0	0	0	0	0	113.1	S111	S111-A113 PolarHBondContact O-N 2.89Å; S111-A113 PolarHBondContact OG-N 2.87Å
114	M	91.9	Very high	91.3	Very high	37 Å²	37	34.5 Å²	34.5	18%	0.182	21%	0.206	C	C	.	.			trans	-78.4	155.8	175.9	-57	179.5	110.8	0	0	110.4	R8 I105 W110 S111 P112 S118	R8-M114 PolarHBondContact NH2-O 2.85Å; I105-M114 HydrophobicContact CB-CE 3.77Å; I105-M114 HydrophobicContact CB-SD 4.37Å; I105-M114 HydrophobicContact CD1-CE 4.33Å; I105-M114 HydrophobicContact CG2-CE 3.7Å; W110-M114 HydrophobicContact CE3-CB 4.02Å; W110-M114 HydrophobicContact CE3-SD 4.15Å; W110-M114 HydrophobicContact CH2-CB 3.93Å; W110-M114 WeakPolarHBondContact CH2-O 3.44Å; W110-M114 HydrophobicContact CZ3-CB 3.51Å; S111-M114 VanDerWaalsContact O-CB 3.31Å; S111-M114 WeakPolarHBondContact O-CB 3.36Å; S111-M114 PolarHBondContact O-N 3.39Å; P112-M114 VanDerWaalsContact C-N 3.31Å; M114-S118 WeakPolarHBondContact CA-OG 3.46Å
115	G	91.9	Very high	91.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.223	C	C	.	.			trans	-154.1	-167.7	174.2	0	0	0	0	0	112	E12 S117 S118 I119	E12-G115 WeakPolarHBondContact OE2-CA 3.31Å; G115-S117 PolarHBondContact O-N 3.23Å; G115-S118 PolarHBondContact N-OG 3.05Å; G115-S118 PolarHBondContact O-N 3.49Å; G115-S118 PolarHBondContact O-OG 2.85Å; G115-I119 WeakPolarHBondContact O-CG1 3.21Å; G115-I119 PolarHBondContact O-N 3.47Å
116	V	93.2	Very high	92.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-51.7	-52.4	-177.3	179.7	0	0	0	0	111.2	E12 L16 I37 V39 F58 F60 S118 I119 C120	E12-V116 WeakPolarHBondContact OE2-CG2 3.17Å; E12-V116 PolarHBondContact OE2-N 3Å; L16-V116 HydrophobicContact CD2-CG1 3.93Å; I37-V116 HydrophobicContact CD1-CG1 4.19Å; I37-V116 HydrophobicContact CD1-CG2 3.62Å; V39-V116 HydrophobicContact CG1-CG1 4.17Å; F58-V116 HydrophobicContact CD1-CG2 4.15Å; F58-V116 HydrophobicContact CE1-CB 4.34Å; F58-V116 HydrophobicContact CE1-CG1 4.13Å; F58-V116 HydrophobicContact CE1-CG2 4.3Å; F58-V116 HydrophobicContact CE2-CG1 4.39Å; F58-V116 HydrophobicContact CZ-CG1 4.07Å; F60-V116 HydrophobicContact CE1-CG2 4.45Å; F60-V116 HydrophobicContact CZ-CG2 3.85Å; V116-S118 PolarHBondContact O-N 3.38Å; V116-I119 PolarHBondContact O-N 2.85Å; V116-C120 PolarHBondContact O-N 3.44Å; V116-C120 PolarHBondContact O-SG 3.41Å
117	S	94.4	Very high	92.6	Very high	13 Å²	13	35.6 Å²	35.6	9%	0.091	22%	0.216	C	C	.	.	H	α-helix	trans	-58.1	-47	-178.4	-47.5	0	0	0	0	113.2	G115 C120 L121	G115-S117 PolarHBondContact O-N 3.23Å; S117-C120 PolarHBondContact O-N 3.04Å; S117-L121 WeakPolarHBondContact O-CG 3.39Å; S117-L121 PolarHBondContact O-N 3.35Å
118	S	94.4	Very high	93.2	Very high	35 Å²	35	37.1 Å²	37.1	25%	0.245	23%	0.226	C	C	.	.	H	α-helix	trans	-68.2	-36	-179.4	55	0	0	0	0	111.9	M114 G115 V116 L121 S122	M114-S118 WeakPolarHBondContact CA-OG 3.46Å; G115-S118 PolarHBondContact N-OG 3.05Å; G115-S118 PolarHBondContact O-N 3.49Å; G115-S118 PolarHBondContact O-OG 2.85Å; V116-S118 PolarHBondContact O-N 3.38Å; S118-L121 PolarHBondContact O-N 2.93Å; S118-S122 PolarHBondContact O-N 3.38Å; S118-S122 PolarHBondContact O-OG 3.49Å
119	I	95.1	Very high	93.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66.1	-46.5	175.3	-71.2	165.9	0	0	0	110.8	F58 L80 V82 I105 L106 W110 G115 V116 L121 S122 I123	F58-I119 HydrophobicContact CE1-CB 3.92Å; F58-I119 HydrophobicContact CE1-CD1 3.91Å; F58-I119 HydrophobicContact CE1-CG2 3.74Å; F58-I119 HydrophobicContact CZ-CB 4.2Å; F58-I119 HydrophobicContact CZ-CG2 3.78Å; L80-I119 HydrophobicContact CD2-CD1 3.21Å; L80-I119 HydrophobicContact CG-CD1 4.49Å; V82-I119 HydrophobicContact CG1-CG2 4.36Å; V82-I119 HydrophobicContact CG2-CD1 4.44Å; V82-I119 HydrophobicContact CG2-CG2 4.29Å; I105-I119 HydrophobicContact CD1-CB 4.37Å; I105-I119 HydrophobicContact CD1-CG1 4.02Å; I105-I119 HydrophobicContact CD1-CG2 4.46Å; L106-I119 HydrophobicContact CD2-CD1 4.25Å; L106-I119 HydrophobicContact CD2-CG1 4.33Å; L106-I119 HydrophobicContact CD2-CG2 3.83Å; W110-I119 HydrophobicContact CE3-CD1 4.33Å; W110-I119 HydrophobicContact CH2-CD1 4.23Å; W110-I119 HydrophobicContact CZ3-CD1 3.49Å; W110-I119 VanDerWaalsContact CZ3-CD1 3.49Å; W110-I119 HydrophobicContact CZ3-CG1 4.16Å; G115-I119 WeakPolarHBondContact O-CG1 3.21Å; G115-I119 PolarHBondContact O-N 3.47Å; V116-I119 PolarHBondContact O-N 2.85Å; I119-L121 VanDerWaalsContact C-N 3.29Å; I119-L121 PolarHBondContact O-N 3.16Å; I119-S122 PolarHBondContact O-N 3.14Å; I119-S122 VanDerWaalsContact O-N 3.16Å; I119-I123 HydrophobicContact CG2-CD1 3.65Å; I119-I123 HydrophobicContact CG2-CG1 4.34Å; I119-I123 WeakPolarHBondContact O-CG1 3.35Å; I119-I123 PolarHBondContact O-N 2.79Å
120	C	96.2	Very high	94.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.1	-43.2	177	-68	0	0	0	0	111.4	V24 L41 V116 S117 S122 I123 L124	V24-C120 HydrophobicContact CG1-CB 4.12Å; V24-C120 HydrophobicContact CG2-CB 3.76Å; L41-C120 HydrophobicContact CD2-CB 4.26Å; V116-C120 PolarHBondContact O-N 3.44Å; V116-C120 PolarHBondContact O-SG 3.41Å; S117-C120 PolarHBondContact O-N 3.04Å; C120-S122 PolarHBondContact O-N 3.46Å; C120-I123 PolarHBondContact O-N 3.3Å; C120-L124 WeakPolarHBondContact O-CB 3.27Å; C120-L124 WeakPolarHBondContact O-CG 3.47Å; C120-L124 PolarHBondContact O-N 3.4Å
121	L	95.6	Very high	94.9	Very high	91 Å²	91	39.1 Å²	39.1	48%	0.476	24%	0.24	S	C	.	.	H	α-helix	trans	-58.5	-46.3	174.5	-80.5	170.7	0	0	0	112.3	V21 S117 S118 I119 L124 S125	V21-L121 HydrophobicContact CG1-CD1 4.47Å; V21-L121 HydrophobicContact CG1-CD2 3.35Å; V21-L121 HydrophobicContact CG1-CG 3.59Å; V21-L121 HydrophobicContact CG2-CD1 4.46Å; V21-L121 HydrophobicContact CG2-CG 4.24Å; S117-L121 WeakPolarHBondContact O-CG 3.39Å; S117-L121 PolarHBondContact O-N 3.35Å; S118-L121 PolarHBondContact O-N 2.93Å; I119-L121 VanDerWaalsContact C-N 3.29Å; I119-L121 PolarHBondContact O-N 3.16Å; L121-L124 PolarHBondContact O-N 3.5Å; L121-S125 VanDerWaalsContact O-CB 3.3Å; L121-S125 WeakPolarHBondContact O-CB 3.07Å; L121-S125 PolarHBondContact O-N 3.48Å
122	S	96.8	Very high	95.3	Very high	39 Å²	39	42 Å²	42	27%	0.273	25%	0.248	S	C	.	.	H	α-helix	trans	-64.9	-40.2	178.5	-63.5	0	0	0	0	112.5	S118 I119 C120 S125 M126	S118-S122 PolarHBondContact O-N 3.38Å; S118-S122 PolarHBondContact O-OG 3.49Å; I119-S122 PolarHBondContact O-N 3.14Å; I119-S122 VanDerWaalsContact O-N 3.16Å; C120-S122 PolarHBondContact O-N 3.46Å; S122-S125 PolarHBondContact O-N 3.15Å; S122-M126 WeakPolarHBondContact O-CB 3.4Å; S122-M126 PolarHBondContact O-N 2.97Å
123	I	97.5	Very high	95.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-68.3	-42.5	176.8	-67.1	168.4	0	0	0	111	L41 L56 V82 F84 I101 L103 I119 C120 S125 M126 L127	L41-I123 HydrophobicContact CD1-CG2 3.85Å; L56-I123 HydrophobicContact CD1-CB 4.48Å; L56-I123 HydrophobicContact CD1-CD1 3.57Å; L56-I123 HydrophobicContact CD1-CG2 4.23Å; L56-I123 HydrophobicContact CD2-CD1 4.2Å; V82-I123 HydrophobicContact CG1-CD1 3.96Å; F84-I123 HydrophobicContact CE2-CG2 4.21Å; F84-I123 HydrophobicContact CZ-CG2 3.62Å; I101-I123 HydrophobicContact CD1-CD1 3.78Å; I101-I123 HydrophobicContact CD1-CG1 4.44Å; L103-I123 HydrophobicContact CD2-CG1 4.01Å; I119-I123 HydrophobicContact CG2-CD1 3.65Å; I119-I123 HydrophobicContact CG2-CG1 4.34Å; I119-I123 WeakPolarHBondContact O-CG1 3.35Å; I119-I123 PolarHBondContact O-N 2.79Å; C120-I123 PolarHBondContact O-N 3.3Å; I123-S125 VanDerWaalsContact C-N 3.34Å; I123-S125 PolarHBondContact O-N 3.24Å; I123-M126 HydrophobicContact CG2-CE 4.27Å; I123-M126 WeakPolarHBondContact O-CB 3.23Å; I123-M126 PolarHBondContact O-N 2.89Å; I123-L127 HydrophobicContact CG2-CD1 4.43Å; I123-L127 WeakPolarHBondContact O-CG 3.48Å; I123-L127 PolarHBondContact O-N 3.14Å
124	L	96.9	Very high	96	Very high	12 Å²	12	44.5 Å²	44.5	6%	0.063	24%	0.238	C	C	.	.	H	α-helix	trans	-61.8	-41.7	174.3	-79.9	173.1	0	0	0	111.8	V21 P22 N23 V24 L41 V44 C120 L121 L127 S128	V21-L124 HydrophobicContact CG1-CD1 4.45Å; P22-L124 WeakPolarHBondContact O-CD1 2.83Å; N23-L124 HydrophobicContact CB-CD1 4.09Å; N23-L124 HydrophobicContact CB-CD2 4.28Å; V24-L124 HydrophobicContact CG2-CD1 3.51Å; L41-L124 HydrophobicContact CB-CD2 4.22Å; L41-L124 HydrophobicContact CD1-CD2 4.24Å; L41-L124 HydrophobicContact CD1-CG 4.27Å; L41-L124 HydrophobicContact CD2-CD1 4.19Å; L41-L124 HydrophobicContact CD2-CD2 4.24Å; L41-L124 HydrophobicContact CD2-CG 4.05Å; L41-L124 HydrophobicContact CG-CD2 4.5Å; V44-L124 HydrophobicContact CG2-CD2 4.42Å; C120-L124 WeakPolarHBondContact O-CB 3.27Å; C120-L124 WeakPolarHBondContact O-CG 3.47Å; C120-L124 PolarHBondContact O-N 3.4Å; L121-L124 PolarHBondContact O-N 3.5Å; L124-L127 PolarHBondContact O-N 3.05Å; L124-S128 VanDerWaalsContact O-CB 3.27Å; L124-S128 WeakPolarHBondContact O-CB 3.39Å; L124-S128 PolarHBondContact O-N 3.32Å; L124-S128 PolarHBondContact O-OG 3.01Å
125	S	97	Very high	96.2	Very high	78 Å²	78	46 Å²	46	55%	0.545	24%	0.241	S	C	.	.	H	α-helix	trans	-62.1	-46.6	175.5	-178.2	0	0	0	0	111.4	L121 S122 I123 L127 S128 S129	L121-S125 VanDerWaalsContact O-CB 3.3Å; L121-S125 WeakPolarHBondContact O-CB 3.07Å; L121-S125 PolarHBondContact O-N 3.48Å; S122-S125 PolarHBondContact O-N 3.15Å; I123-S125 VanDerWaalsContact C-N 3.34Å; I123-S125 PolarHBondContact O-N 3.24Å; S125-L127 PolarHBondContact O-N 2.82Å; S125-S128 PolarHBondContact O-N 3.43Å; S125-S129 WeakPolarHBondContact O-CB 3.5Å; S125-S129 PolarHBondContact O-N 2.97Å; S125-S129 PolarHBondContact O-OG 2.93Å
126	M	97.3	Very high	96.4	Very high	15 Å²	15	46.5 Å²	46.5	7%	0.074	25%	0.245	C	C	.	.	H	α-helix	trans	-53.6	-54.2	174.2	178.3	-166.9	73.1	0	0	110.8	H92 H94 V95 I101 L103 S122 I123 S128 S129	H92-M126 WeakPolarHBondContact CE1-CG 3.24Å; H92-M126 PolarHBondContact NE2-O 3.4Å; H94-M126 HydrophobicContact CB-SD 3.75Å; V95-M126 HydrophobicContact CG2-CE 3.83Å; I101-M126 HydrophobicContact CG2-CE 4.19Å; I101-M126 HydrophobicContact CG2-SD 4.38Å; L103-M126 HydrophobicContact CD1-SD 4.09Å; S122-M126 WeakPolarHBondContact O-CB 3.4Å; S122-M126 PolarHBondContact O-N 2.97Å; I123-M126 HydrophobicContact CG2-CE 4.27Å; I123-M126 WeakPolarHBondContact O-CB 3.23Å; I123-M126 PolarHBondContact O-N 2.89Å; M126-S128 PolarHBondContact O-N 3.08Å; M126-S129 PolarHBondContact O-N 2.84Å; M126-S129 PolarHBondContact O-OG 3.23Å
127	L	98	Very high	96.4	Very high	5 Å²	5	53.4 Å²	53.4	3%	0.026	29%	0.287	C	S	.	.	H	α-helix	trans	-60.1	-43.1	177.7	-68.7	178.8	0	0	0	112.2	Y49 F54 F84 P90 H92 I123 L124 S125 S129 C130	Y49-L127 HydrophobicContact CD2-CB 3.92Å; Y49-L127 HydrophobicContact CD2-CD2 4.36Å; Y49-L127 WeakPolarHBondContact CD2-O 3.32Å; Y49-L127 HydrophobicContact CE1-CD2 4.24Å; Y49-L127 HydrophobicContact CE2-CB 4.02Å; Y49-L127 HydrophobicContact CE2-CD2 3.95Å; Y49-L127 WeakPolarHBondContact CE2-O 3.44Å; F54-L127 HydrophobicContact CD2-CD1 4.36Å; F54-L127 HydrophobicContact CE2-CD1 4.45Å; F84-L127 HydrophobicContact CZ-CD1 4.14Å; P90-L127 HydrophobicContact CB-CD2 3.98Å; P90-L127 HydrophobicContact CG-CD2 4.18Å; H92-L127 HydrophobicContact CB-CD2 4.19Å; I123-L127 HydrophobicContact CG2-CD1 4.43Å; I123-L127 WeakPolarHBondContact O-CG 3.48Å; I123-L127 PolarHBondContact O-N 3.14Å; L124-L127 PolarHBondContact O-N 3.05Å; S125-L127 PolarHBondContact O-N 2.82Å; L127-S129 VanDerWaalsContact C-N 3.3Å; L127-S129 PolarHBondContact O-N 2.9Å; L127-C130 WeakPolarHBondContact O-CB 3.08Å; L127-C130 PolarHBondContact O-N 3.23Å
128	S	97.2	Very high	96.2	Very high	39 Å²	39	53.4 Å²	53.4	27%	0.273	29%	0.286	S	S	.	.	H	α-helix	trans	-68.1	-29.5	-176.1	-58.4	0	0	0	0	113.2	V44 L124 S125 M126 C130	V44-S128 WeakPolarHBondContact CG2-OG 3.39Å; L124-S128 VanDerWaalsContact O-CB 3.27Å; L124-S128 WeakPolarHBondContact O-CB 3.39Å; L124-S128 PolarHBondContact O-N 3.32Å; L124-S128 PolarHBondContact O-OG 3.01Å; S125-S128 PolarHBondContact O-N 3.43Å; M126-S128 PolarHBondContact O-N 3.08Å; S128-C130 VanDerWaalsContact C-N 3.3Å
129	S	97.1	Very high	96.1	Very high	74 Å²	74	52.7 Å²	52.7	52%	0.517	28%	0.279	S	S	.	.	H	α-helix	trans	-77.8	-14.4	178.8	74.1	0	0	0	0	113.9	S125 M126 L127 K131	S125-S129 WeakPolarHBondContact O-CB 3.5Å; S125-S129 PolarHBondContact O-N 2.97Å; S125-S129 PolarHBondContact O-OG 2.93Å; M126-S129 PolarHBondContact O-N 2.84Å; M126-S129 PolarHBondContact O-OG 3.23Å; L127-S129 VanDerWaalsContact C-N 3.3Å; L127-S129 PolarHBondContact O-N 2.9Å; S129-K131 PolarHBondContact O-N 2.85Å
130	C	97.4	Very high	96	Very high	14 Å²	14	57.3 Å²	57.3	10%	0.095	31%	0.312	C	S	.	.			trans	-63.6	132.3	-173.8	-168.4	0	0	0	0	112.3	L48 Y49 H92 L127 S128 E132	L48-C130 WeakPolarHBondContact CD1-O 2.9Å; Y49-C130 HydrophobicContact CE2-CB 3.86Å; H92-C130 PolarHBondContact CD2-SG 3.37Å; L127-C130 WeakPolarHBondContact O-CB 3.08Å; L127-C130 PolarHBondContact O-N 3.23Å; S128-C130 VanDerWaalsContact C-N 3.3Å; C130-E132 PolarHBondContact SG-O 3.08Å
131	K	96.5	Very high	95.7	Very high	188 Å²	188	62.1 Å²	62.1	82%	0.817	34%	0.336	S	S	*	.	S	Bend	trans	-102.1	-15.2	-179.9	-56.8	-56.1	-179.6	-173.7	0	114.2	L48 S129	L48-K131 VanDerWaalsContact CD1-C 3.49Å; S129-K131 PolarHBondContact O-N 2.85Å
132	E	97	Very high	95.4	Very high	111 Å²	111	57.8 Å²	57.8	52%	0.519	31%	0.314	S	S	.	.	S	Bend	trans	-152.5	131.9	-178.7	-175.6	-170.7	-170	0	0	110.4	C130 K134	C130-E132 PolarHBondContact SG-O 3.08Å; E132-K134 PolarHBondContact O-N 3.41Å; E132-K134 WeakPolarHBondContact OE2-CE 3.28Å; E132-K134 IonicContact OE2-NZ 2.75Å; E132-K134 PolarHBondContact OE2-NZ 3.45Å
133	K	97.8	Very high	95	Very high	83 Å²	83	58.3 Å²	58.3	36%	0.361	32%	0.315	S	S	.	.			trans	-77	104.1	172.9	-70.2	-169.2	-177	178.6	0	110.2	L48 Y49 V91	L48-K133 HydrophobicContact CB-CG 4.33Å; L48-K133 HydrophobicContact CD1-CG 4.22Å; L48-K133 WeakPolarHBondContact O-CE 3.44Å; L48-K133 PolarHBondContact O-NZ 2.92Å; Y49-K133 HydrophobicContact CE1-CD 4.41Å; Y49-K133 HydrophobicContact CE1-CG 4.4Å; V91-K133 HydrophobicContact CB-CB 4.25Å; V91-K133 HydrophobicContact CG1-CB 4.14Å; V91-K133 WeakPolarHBondContact O-CA 3.28Å
134	K	97.3	Very high	94.4	Very high	101 Å²	101	62.9 Å²	62.9	44%	0.439	35%	0.347	S	S	.	.			trans	-144.1	157.4	170.7	61.6	-175.3	169.8	-152.6	0	110.8	H92 P93 E132	H92-K134 CarbonylContact C-O 2.77Å; H92-K134 VanDerWaalsContact CA-O 3.24Å; H92-K134 WeakPolarHBondContact CA-O 3.22Å; H92-K134 PolarHBondContact N-O 3.21Å; H92-K134 VanDerWaalsContact O-O 3.11Å; P93-K134 WeakPolarHBondContact CD-O 3.48Å; P93-K134 HydrophobicContact CG-CG 3.8Å; E132-K134 PolarHBondContact O-N 3.41Å; E132-K134 WeakPolarHBondContact OE2-CE 3.28Å; E132-K134 IonicContact OE2-NZ 2.75Å; E132-K134 PolarHBondContact OE2-NZ 3.45Å
135	R	96.5	Very high	93.7	Very high	67 Å²	67	65.7 Å²	65.7	25%	0.253	36%	0.361	S	S	.	.			trans	-80.5	162	173.2	-69.6	-66.1	-177.8	-168.2	-6.2	110.9	I89 P90 V91 V95 Y96 N139	I89-R135 PolarHBondContact O-NH2 3.01Å; P90-R135 PolarHBondContact O-NH1 3.21Å; V91-R135 HydrophobicContact CG1-CG 4.29Å; V95-R135 PolarHBondContact O-NH1 3.01Å; Y96-R135 PolarHBondContact O-NH1 2.92Å; R135-N139 HydrophobicContact CB-CB 3.97Å
136	P	95	Very high	92.5	Very high	12 Å²	12	62.1 Å²	62.1	8%	0.078	34%	0.336	C	S	.	.			trans	-52.4	145.5	166.1	-21.3	29.9	0	0	0	111.1	H92 P93 V95 Y96 D138 N139	H92-P136 WeakPolarHBondContact O-CD 3.42Å; P93-P136 WeakPolarHBondContact O-CG 3.37Å; V95-P136 VanDerWaalsContact O-CD 3.27Å; V95-P136 WeakPolarHBondContact O-CD 3.37Å; Y96-P136 HydrophobicContact CD1-CB 4.35Å; Y96-P136 HydrophobicContact CD1-CG 4.02Å; Y96-P136 HydrophobicContact CD2-CG 4.01Å; Y96-P136 HydrophobicContact CE1-CB 3.65Å; Y96-P136 HydrophobicContact CE1-CG 3.75Å; Y96-P136 HydrophobicContact CE2-CB 4.12Å; Y96-P136 HydrophobicContact CE2-CG 3.65Å; Y96-P136 HydrophobicContact CG-CG 4.13Å; Y96-P136 VanDerWaalsContact CZ-CB 3.48Å; Y96-P136 WeakPolarHBondContact OH-CB 3.36Å; P136-D138 WeakPolarHBondContact CB-OD1 3.41Å; P136-D138 PolarHBondContact O-N 2.93Å; P136-N139 HydrophobicContact CB-CB 4.5Å; P136-N139 WeakPolarHBondContact O-CB 3.3Å; P136-N139 PolarHBondContact O-N 2.59Å
137	V	93.3	Very high	91	Very high	145 Å²	145	63.9 Å²	63.9	88%	0.879	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.9	-176.7	-66.5	0	0	0	0	113.1
138	D	91.3	Very high	89.3	Confident	13 Å²	13	73.3 Å²	73.3	7%	0.07	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	10.9	-179	71	-43.9	0	0	0	112.6	Y96 P136 S140 I141 Y142 L162 L164	Y96-D138 WeakPolarHBondContact CE1-OD1 3.16Å; Y96-D138 PolarHBondContact OH-OD1 3.31Å; Y96-D138 PolarHBondContact OH-OD2 3.47Å; P136-D138 WeakPolarHBondContact CB-OD1 3.41Å; P136-D138 PolarHBondContact O-N 2.93Å; D138-S140 VanDerWaalsContact C-N 3.32Å; D138-S140 PolarHBondContact O-N 2.77Å; D138-S140 VanDerWaalsContact O-N 3.14Å; D138-I141 PolarHBondContact O-N 3.04Å; D138-Y142 WeakPolarHBondContact O-CB 3.44Å; D138-Y142 PolarHBondContact O-N 3.28Å; D138-L162 VanDerWaalsContact CG-CD2 3.45Å; D138-L162 WeakPolarHBondContact OD1-CD2 3.41Å; D138-L162 WeakPolarHBondContact OD2-CD2 3.27Å; D138-L164 HydrophobicContact CB-CD1 4.17Å; D138-L164 WeakPolarHBondContact OD2-CD1 3.5Å
139	N	92.3	Very high	87.7	Confident	20 Å²	20	73.4 Å²	73.4	11%	0.107	40%	0.4	C	S	.	.	H	α-helix	trans	-48.4	-48.9	-171.3	174.2	83.8	0	0	0	113.8	Y96 S97 R135 P136 I141 V143	Y96-N139 WeakPolarHBondContact CA-OD1 3.32Å; Y96-N139 HydrophobicContact CD1-CB 4.32Å; S97-N139 PolarHBondContact N-OD1 3.21Å; S97-N139 PolarHBondContact OG-ND2 3.39Å; S97-N139 PolarHBondContact OG-OD1 3.38Å; S97-N139 VanDerWaalsContact OG-OD1 3.04Å; R135-N139 HydrophobicContact CB-CB 3.97Å; P136-N139 HydrophobicContact CB-CB 4.5Å; P136-N139 WeakPolarHBondContact O-CB 3.3Å; P136-N139 PolarHBondContact O-N 2.59Å; N139-I141 PolarHBondContact O-N 3.47Å; N139-V143 WeakPolarHBondContact O-CB 3.4Å; N139-V143 VanDerWaalsContact O-CG2 3.22Å; N139-V143 WeakPolarHBondContact O-CG2 3.44Å; N139-V143 PolarHBondContact O-N 3.42Å
140	S	91.5	Very high	85.9	Confident	97 Å²	97	70.8 Å²	70.8	68%	0.678	38%	0.381	S	S	*	.	H	α-helix	trans	-67.3	-37.1	-177.4	-54.1	0	0	0	0	112.6	D138 S144	D138-S140 VanDerWaalsContact C-N 3.32Å; D138-S140 PolarHBondContact O-N 2.77Å; D138-S140 VanDerWaalsContact O-N 3.14Å; S140-S144 WeakPolarHBondContact O-CB 3.27Å; S140-S144 PolarHBondContact O-N 3.2Å; S140-S144 PolarHBondContact O-OG 3.45Å
141	I	90.5	Very high	84.1	Confident	101 Å²	101	72.1 Å²	72.1	52%	0.518	39%	0.391	S	S	.	.	H	α-helix	trans	-72.6	-44.9	179	-59.3	174.5	0	0	0	109.4	D138 N139 V143 S144 I145 L164	D138-I141 PolarHBondContact O-N 3.04Å; N139-I141 PolarHBondContact O-N 3.47Å; I141-V143 PolarHBondContact O-N 3.07Å; I141-S144 PolarHBondContact O-N 3.42Å; I141-S144 PolarHBondContact O-OG 2.7Å; I141-I145 HydrophobicContact CG2-CD1 3.64Å; I141-I145 WeakPolarHBondContact O-CD1 3.43Å; I141-I145 VanDerWaalsContact O-CG1 3.28Å; I141-I145 WeakPolarHBondContact O-CG1 3.42Å; I141-I145 PolarHBondContact O-N 3.33Å; I141-L164 HydrophobicContact CB-CD1 4.24Å; I141-L164 HydrophobicContact CG2-CD1 3.77Å
142	Y	88.6	Confident	82	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-57.9	-51.2	176.9	177.8	-92.2	0	0	0	111.7	Y96 H100 D138 S144 I145 C146 T153 W155 L164	Y96-Y142 AromaticContact CD1-CD1 3.18Å; Y96-Y142 HydrophobicContact CD1-CD1 3.18Å; Y96-Y142 HydrophobicContact CD1-CD2 4.39Å; Y96-Y142 AromaticContact CD1-CE1 3.97Å; Y96-Y142 HydrophobicContact CD1-CE1 3.97Å; Y96-Y142 AromaticContact CD1-CG 3.45Å; Y96-Y142 HydrophobicContact CD1-CG 3.45Å; Y96-Y142 VanDerWaalsContact CD1-CG 3.45Å; Y96-Y142 HydrophobicContact CD2-CD1 4.25Å; Y96-Y142 HydrophobicContact CD2-CE1 4.24Å; Y96-Y142 AromaticContact CE1-CD1 3.7Å; Y96-Y142 HydrophobicContact CE1-CD1 3.7Å; Y96-Y142 HydrophobicContact CE1-CD2 4.08Å; Y96-Y142 AromaticContact CE1-CG 3.43Å; Y96-Y142 HydrophobicContact CE1-CG 3.43Å; Y96-Y142 VanDerWaalsContact CE1-CG 3.43Å; Y96-Y142 AromaticContact CG-CD1 3.51Å; Y96-Y142 HydrophobicContact CG-CD1 3.51Å; Y96-Y142 AromaticContact CG-CE1 3.82Å; Y96-Y142 HydrophobicContact CG-CE1 3.82Å; Y96-Y142 HydrophobicContact CG-CG 4.13Å; H100-Y142 HydrophobicContact CB-CE1 3.93Å; H100-Y142 AromaticContact CG-CE1 3.92Å; H100-Y142 AromaticContact ND1-CE1 3.32Å; H100-Y142 VanDerWaalsContact ND1-CE1 3.32Å; H100-Y142 WeakPolarHBondContact ND1-CE1 3.38Å; H100-Y142 AromaticContact ND1-CZ 3.43Å; H100-Y142 PolarHBondContact ND1-OH 2.95Å; D138-Y142 WeakPolarHBondContact O-CB 3.44Å; D138-Y142 PolarHBondContact O-N 3.28Å; Y142-S144 VanDerWaalsContact C-N 3.29Å; Y142-S144 PolarHBondContact O-N 2.94Å; Y142-I145 PolarHBondContact O-N 3.48Å; Y142-C146 HydrophobicContact CD1-CB 4.23Å; Y142-C146 HydrophobicContact CD2-CB 4.4Å; Y142-C146 HydrophobicContact CE1-CB 3.85Å; Y142-C146 HydrophobicContact CE2-CB 3.97Å; Y142-C146 WeakPolarHBondContact CE2-SG 3.47Å; Y142-C146 HydrophobicContact CG-CB 4.49Å; Y142-C146 WeakPolarHBondContact O-CB 3.32Å; Y142-C146 PolarHBondContact O-N 3.44Å; Y142-C146 PolarHBondContact O-SG 2.84Å; Y142-T153 HydrophobicContact CD2-CG2 3.93Å; Y142-T153 HydrophobicContact CE2-CG2 3.29Å; Y142-T153 WeakPolarHBondContact CE2-OG1 3.3Å; Y142-T153 PolarHBondContact OH-OG1 3.05Å; Y142-T153 VanDerWaalsContact OH-OG1 3.09Å; Y142-W155 HydrophobicContact CD1-CH2 4.14Å; Y142-W155 AromaticContact CD2-CH2 3.09Å; Y142-W155 HydrophobicContact CD2-CH2 3.09Å; Y142-W155 AromaticContact CD2-CZ2 3.93Å; Y142-W155 HydrophobicContact CD2-CZ2 3.93Å; Y142-W155 AromaticContact CD2-CZ3 3.49Å; Y142-W155 HydrophobicContact CD2-CZ3 3.49Å; Y142-W155 VanDerWaalsContact CD2-CZ3 3.49Å; Y142-W155 AromaticContact CE1-CH2 3.91Å; Y142-W155 HydrophobicContact CE1-CH2 3.91Å; Y142-W155 HydrophobicContact CE1-CZ2 4.08Å; Y142-W155 HydrophobicContact CE2-CE3 4.42Å; Y142-W155 AromaticContact CE2-CH2 2.82Å; Y142-W155 HydrophobicContact CE2-CH2 2.82Å; Y142-W155 AromaticContact CE2-CZ2 3.15Å; Y142-W155 HydrophobicContact CE2-CZ2 3.15Å; Y142-W155 AromaticContact CE2-CZ3 3.52Å; Y142-W155 HydrophobicContact CE2-CZ3 3.52Å; Y142-W155 AromaticContact CG-CH2 3.78Å; Y142-W155 HydrophobicContact CG-CH2 3.78Å; Y142-W155 HydrophobicContact CG-CZ3 4.36Å; Y142-W155 AromaticContact CZ-CH2 3.29Å; Y142-W155 AromaticContact CZ-CZ2 3.25Å; Y142-W155 VanDerWaalsContact OH-CZ2 3.25Å; Y142-W155 WeakPolarHBondContact OH-CZ2 3.46Å; Y142-L164 HydrophobicContact CD2-CD2 3.71Å; Y142-L164 HydrophobicContact CE2-CD2 4.45Å
143	V	88.2	Confident	80	Confident	49 Å²	49	60.9 Å²	60.9	30%	0.297	35%	0.348	S	S	.	.	H	α-helix	trans	-68.4	-28.3	-175.7	173	0	0	0	0	112.2	N98 N139 I141	N98-V143 HydrophobicContact CB-CG1 4.26Å; N98-V143 HydrophobicContact CB-CG2 4.1Å; N139-V143 WeakPolarHBondContact O-CB 3.4Å; N139-V143 VanDerWaalsContact O-CG2 3.22Å; N139-V143 WeakPolarHBondContact O-CG2 3.44Å; N139-V143 PolarHBondContact O-N 3.42Å; I141-V143 PolarHBondContact O-N 3.07Å
144	S	85.8	Confident	78	Confident	97 Å²	97	60 Å²	60	68%	0.678	34%	0.344	S	S	*	.	H	α-helix	trans	-74.5	-29.6	176	68.4	0	0	0	0	113.1	S140 I141 Y142	S140-S144 WeakPolarHBondContact O-CB 3.27Å; S140-S144 PolarHBondContact O-N 3.2Å; S140-S144 PolarHBondContact O-OG 3.45Å; I141-S144 PolarHBondContact O-N 3.42Å; I141-S144 PolarHBondContact O-OG 2.7Å; Y142-S144 VanDerWaalsContact C-N 3.29Å; Y142-S144 PolarHBondContact O-N 2.94Å
145	I	81.9	Confident	76.1	Confident	71 Å²	71	56 Å²	56	36%	0.364	33%	0.326	S	S	.	.	H	α-helix	trans	-89.6	-43.3	-179.4	-63.9	164.9	0	0	0	111.1	I141 Y142 G147 L166	I141-I145 HydrophobicContact CG2-CD1 3.64Å; I141-I145 WeakPolarHBondContact O-CD1 3.43Å; I141-I145 VanDerWaalsContact O-CG1 3.28Å; I141-I145 WeakPolarHBondContact O-CG1 3.42Å; I141-I145 PolarHBondContact O-N 3.33Å; Y142-I145 PolarHBondContact O-N 3.48Å; I145-G147 PolarHBondContact O-N 2.92Å; I145-L166 HydrophobicContact CD1-CD2 3.85Å; I145-L166 HydrophobicContact CG1-CD2 4.47Å; I145-L166 HydrophobicContact CG2-CD2 3.8Å
146	C	72.7	Confident	73.8	Confident	3 Å²	3	53.9 Å²	53.9	2%	0.02	32%	0.32	C	S	.	.			trans	-93.4	106.9	-171.6	-53.7	0	0	0	0	107.9	Y142 T153	Y142-C146 HydrophobicContact CD1-CB 4.23Å; Y142-C146 HydrophobicContact CD2-CB 4.4Å; Y142-C146 HydrophobicContact CE1-CB 3.85Å; Y142-C146 HydrophobicContact CE2-CB 3.97Å; Y142-C146 WeakPolarHBondContact CE2-SG 3.47Å; Y142-C146 HydrophobicContact CG-CB 4.49Å; Y142-C146 WeakPolarHBondContact O-CB 3.32Å; Y142-C146 PolarHBondContact O-N 3.44Å; Y142-C146 PolarHBondContact O-SG 2.84Å; C146-T153 VanDerWaalsContact SG-CG2 3.6Å; C146-T153 PolarHBondContact SG-OG1 3.22Å
147	G	65.9	Low	71.5	Confident	52 Å²	52	57 Å²	57	54%	0.536	33%	0.331	S	S	.	.			trans	-64.5	-145.3	175.2	0	0	0	0	0	112.8	H100 I145 S149	H100-G147 PolarHBondContact CE1-O 2.88Å; I145-G147 PolarHBondContact O-N 2.92Å; G147-S149 PolarHBondContact O-N 3.21Å; G147-S149 VanDerWaalsContact O-N 3.15Å
148	K	61	Low	69	Low	202 Å²	202	56.5 Å²	56.5	88%	0.878	32%	0.319	S	S	*	.	S	Bend	trans	-70.2	-11.3	-170.8	-64.3	-173.6	177.8	-176.7	0	115.8
149	S	64	Low	66.4	Low	41 Å²	41	59.5 Å²	59.5	29%	0.287	35%	0.353	S	S	.	.			trans	-122.1	118	-173.1	-174.3	0	0	0	0	111.7	Q81 G147 S151 S152	Q81-S149 PolarHBondContact NE2-OG 3.2Å; G147-S149 PolarHBondContact O-N 3.21Å; G147-S149 VanDerWaalsContact O-N 3.15Å; S149-S151 PolarHBondContact O-N 2.7Å; S149-S151 VanDerWaalsContact O-N 3.17Å; S149-S151 PolarHBondContact OG-N 2.88Å; S149-S151 PolarHBondContact OG-OG 3.19Å; S149-S152 PolarHBondContact O-OG 3.05Å
150	P	59.9	Low	63.6	Low	20 Å²	20	67.8 Å²	67.8	13%	0.13	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-63.4	-16.6	173.5	23.7	-36.5	0	0	0	114	Q81 I83 H100 S152 T153	Q81-P150 HydrophobicContact CG-CG 3.74Å; I83-P150 HydrophobicContact CG2-CG 3.76Å; H100-P150 HydrophobicContact CB-CB 4.27Å; H100-P150 VanDerWaalsContact CE1-CD 3.43Å; H100-P150 WeakPolarHBondContact CE1-CD 3.39Å; H100-P150 VanDerWaalsContact CE1-N 3.3Å; H100-P150 WeakPolarHBondContact NE2-CD 3.25Å; P150-S152 PolarHBondContact O-N 3.17Å; P150-T153 PolarHBondContact O-N 3.06Å
151	S	58.9	Low	60.7	Low	42 Å²	42	69.1 Å²	69.1	29%	0.294	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-67.7	-7.5	-174.2	67.2	0	0	0	0	114.7	R78 S149	R78-S151 PolarHBondContact NE-O 2.72Å; S149-S151 PolarHBondContact O-N 2.7Å; S149-S151 VanDerWaalsContact O-N 3.17Å; S149-S151 PolarHBondContact OG-N 2.88Å; S149-S151 PolarHBondContact OG-OG 3.19Å
152	S	51.7	Low	58.4	Low	53 Å²	53	66.2 Å²	66.2	37%	0.371	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-91.9	-17.3	172.3	60.1	0	0	0	0	113.1	S149 P150 C167	S149-S152 PolarHBondContact O-OG 3.05Å; P150-S152 PolarHBondContact O-N 3.17Å; S152-C167 VanDerWaalsContact C-SG 3.52Å; S152-C167 VanDerWaalsContact CB-SG 3.51Å; S152-C167 PolarHBondContact O-SG 2.8Å
153	T	54.9	Low	56.2	Low	10 Å²	10	71 Å²	71	6%	0.061	40%	0.403	C	S	.	.			trans	-94.8	137.7	-173	-33.4	0	0	0	0	114.1	Y142 C146 P150 L164	Y142-T153 HydrophobicContact CD2-CG2 3.93Å; Y142-T153 HydrophobicContact CE2-CG2 3.29Å; Y142-T153 WeakPolarHBondContact CE2-OG1 3.3Å; Y142-T153 PolarHBondContact OH-OG1 3.05Å; Y142-T153 VanDerWaalsContact OH-OG1 3.09Å; C146-T153 VanDerWaalsContact SG-CG2 3.6Å; C146-T153 PolarHBondContact SG-OG1 3.22Å; P150-T153 PolarHBondContact O-N 3.06Å; T153-L164 HydrophobicContact CG2-CD2 3.83Å
154	F	56.3	Low	54.2	Low	64 Å²	64	70.3 Å²	70.3	28%	0.281	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-90.9	111.5	171.8	-173.1	-101.2	0	0	0	111.7	L74 T156 L165	L74-F154 HydrophobicContact CD2-CD2 3.57Å; L74-F154 HydrophobicContact CD2-CE2 3.76Å; F154-T156 HydrophobicContact CD1-CG2 4.23Å; F154-T156 HydrophobicContact CE1-CG2 3.25Å; F154-T156 WeakPolarHBondContact CE1-OG1 3.5Å; F154-T156 HydrophobicContact CZ-CG2 3.75Å; F154-L165 HydrophobicContact CB-CB 4.08Å; F154-L165 HydrophobicContact CD1-CB 3.66Å; F154-L165 HydrophobicContact CD1-CD1 3.47Å; F154-L165 VanDerWaalsContact CD1-CD1 3.47Å; F154-L165 HydrophobicContact CD1-CG 4.14Å; F154-L165 HydrophobicContact CE1-CB 4.4Å; F154-L165 HydrophobicContact CE1-CD1 3.34Å; F154-L165 HydrophobicContact CE1-CG 4.45Å; F154-L165 HydrophobicContact CG-CB 4.19Å; F154-L165 HydrophobicContact CZ-CD1 4.42Å
155	W	57.3	Low	52.3	Low	17 Å²	17	70.5 Å²	70.5	6%	0.064	39%	0.391	C	S	.	.			trans	-86.6	116.8	163.8	-52	112.7	0	0	0	110	R77 Y96 C102 Y142 Y157 L162	R77-W155 PolarHBondContact NH2-O 3.14Å; R77-W155 VanDerWaalsContact NH2-O 3.08Å; Y96-W155 HydrophobicContact CD1-CH2 4.36Å; Y96-W155 AromaticContact CD2-CH2 3.51Å; Y96-W155 HydrophobicContact CD2-CH2 3.51Å; Y96-W155 AromaticContact CD2-CZ2 3.92Å; Y96-W155 HydrophobicContact CD2-CZ2 3.92Å; Y96-W155 HydrophobicContact CD2-CZ3 4.49Å; Y96-W155 AromaticContact CE1-CH2 3.83Å; Y96-W155 HydrophobicContact CE1-CH2 3.83Å; Y96-W155 HydrophobicContact CE1-CZ3 4.19Å; Y96-W155 AromaticContact CE2-CH2 2.9Å; Y96-W155 HydrophobicContact CE2-CH2 2.9Å; Y96-W155 AromaticContact CE2-CZ2 3.61Å; Y96-W155 HydrophobicContact CE2-CZ2 3.61Å; Y96-W155 AromaticContact CE2-CZ3 3.53Å; Y96-W155 HydrophobicContact CE2-CZ3 3.53Å; Y96-W155 HydrophobicContact CG-CH2 4.23Å; Y96-W155 AromaticContact CZ-CH2 3.09Å; Y96-W155 AromaticContact CZ-CZ3 3.33Å; Y96-W155 WeakPolarHBondContact OH-CH2 3.4Å; Y96-W155 WeakPolarHBondContact OH-CZ3 3.47Å; C102-W155 HydrophobicContact CB-CD2 4.41Å; Y142-W155 HydrophobicContact CD1-CH2 4.14Å; Y142-W155 AromaticContact CD2-CH2 3.09Å; Y142-W155 HydrophobicContact CD2-CH2 3.09Å; Y142-W155 AromaticContact CD2-CZ2 3.93Å; Y142-W155 HydrophobicContact CD2-CZ2 3.93Å; Y142-W155 AromaticContact CD2-CZ3 3.49Å; Y142-W155 HydrophobicContact CD2-CZ3 3.49Å; Y142-W155 VanDerWaalsContact CD2-CZ3 3.49Å; Y142-W155 AromaticContact CE1-CH2 3.91Å; Y142-W155 HydrophobicContact CE1-CH2 3.91Å; Y142-W155 HydrophobicContact CE1-CZ2 4.08Å; Y142-W155 HydrophobicContact CE2-CE3 4.42Å; Y142-W155 AromaticContact CE2-CH2 2.82Å; Y142-W155 HydrophobicContact CE2-CH2 2.82Å; Y142-W155 AromaticContact CE2-CZ2 3.15Å; Y142-W155 HydrophobicContact CE2-CZ2 3.15Å; Y142-W155 AromaticContact CE2-CZ3 3.52Å; Y142-W155 HydrophobicContact CE2-CZ3 3.52Å; Y142-W155 AromaticContact CG-CH2 3.78Å; Y142-W155 HydrophobicContact CG-CH2 3.78Å; Y142-W155 HydrophobicContact CG-CZ3 4.36Å; Y142-W155 AromaticContact CZ-CH2 3.29Å; Y142-W155 AromaticContact CZ-CZ2 3.25Å; Y142-W155 VanDerWaalsContact OH-CZ2 3.25Å; Y142-W155 WeakPolarHBondContact OH-CZ2 3.46Å; W155-Y157 HydrophobicContact CB-CE2 3.9Å; W155-L162 HydrophobicContact CE3-CD1 4.06Å; W155-L162 HydrophobicContact CE3-CD2 3.56Å; W155-L162 HydrophobicContact CE3-CG 4.1Å; W155-L162 HydrophobicContact CZ3-CD2 3.35Å; W155-L162 HydrophobicContact CZ3-CG 4.33Å
156	T	48.9	Very low	50.3	Low	22 Å²	22	72.7 Å²	72.7	14%	0.135	40%	0.403	C	S	.	.			trans	-99.9	112.4	161.6	4.6	0	0	0	0	109.8	F154 H158 N163	F154-T156 HydrophobicContact CD1-CG2 4.23Å; F154-T156 HydrophobicContact CE1-CG2 3.25Å; F154-T156 WeakPolarHBondContact CE1-OG1 3.5Å; F154-T156 HydrophobicContact CZ-CG2 3.75Å; T156-H158 VanDerWaalsContact C-N 3.28Å; T156-H158 WeakPolarHBondContact CG2-ND1 3.21Å; T156-H158 PolarHBondContact O-N 3.39Å; T156-N163 PolarHBondContact OG1-O 2.97Å; T156-N163 VanDerWaalsContact OG1-O 3.06Å
157	Y	46.8	Very low	48.6	Very low	78 Å²	78	75.2 Å²	75.2	31%	0.306	42%	0.42	S	S	.	.			trans	-81.9	73.9	173.9	-59.3	-87.6	0	0	0	109.7	C102 L103 S104 E108 W155	C102-Y157 WeakPolarHBondContact CA-OH 3.43Å; C102-Y157 HydrophobicContact CB-CE1 4.48Å; C102-Y157 WeakPolarHBondContact SG-CE1 3.44Å; C102-Y157 VanDerWaalsContact SG-CZ 3.57Å; C102-Y157 PolarHBondContact SG-OH 2.88Å; L103-Y157 WeakPolarHBondContact CA-OH 3.43Å; L103-Y157 PolarHBondContact N-OH 3.21Å; L103-Y157 PolarHBondContact O-OH 3.26Å; S104-Y157 PolarHBondContact N-OH 2.87Å; E108-Y157 VanDerWaalsContact OE1-CD2 3.3Å; E108-Y157 WeakPolarHBondContact OE1-CD2 3.45Å; W155-Y157 HydrophobicContact CB-CE2 3.9Å
158	H	41.3	Very low	46.9	Very low	134 Å²	134	85.3 Å²	85.3	62%	0.62	45%	0.453	S	S	*	.			trans	-101.5	124.7	165.6	-72.6	90.5	0	0	0	108.3	T156 M160 L161	T156-H158 VanDerWaalsContact C-N 3.28Å; T156-H158 WeakPolarHBondContact CG2-ND1 3.21Å; T156-H158 PolarHBondContact O-N 3.39Å; H158-M160 PolarHBondContact O-N 3.43Å; H158-L161 PolarHBondContact O-N 3.37Å
159	G	35.5	Very low	46.2	Very low	77 Å²	77	79.5 Å²	79.5	79%	0.794	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.1	116.2	-178.5	0	0	0	0	0	111.8
160	M	33.1	Very low	45.3	Very low	193 Å²	193	81.5 Å²	81.5	95%	0.951	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	-5.8	173.4	-58.8	-176	-79	0	0	119.8	H158	H158-M160 PolarHBondContact O-N 3.43Å
161	L	32.5	Very low	44.5	Very low	125 Å²	125	84.9 Å²	84.9	65%	0.654	46%	0.456	S	S	*	.			trans	-141.6	107.9	174.8	-90.2	155.6	0	0	0	111.2	H158 N163	H158-L161 PolarHBondContact O-N 3.37Å; L161-N163 PolarHBondContact O-N 3.38Å
162	L	41.7	Very low	43.6	Very low	41 Å²	41	87.5 Å²	87.5	22%	0.215	47%	0.466	C	S	.	.			trans	-75.7	94.4	171.6	-155.6	78	0	0	0	109	Y96 D138 W155 L164	Y96-L162 WeakPolarHBondContact OH-CD2 3.18Å; D138-L162 VanDerWaalsContact CG-CD2 3.45Å; D138-L162 WeakPolarHBondContact OD1-CD2 3.41Å; D138-L162 WeakPolarHBondContact OD2-CD2 3.27Å; W155-L162 HydrophobicContact CE3-CD1 4.06Å; W155-L162 HydrophobicContact CE3-CD2 3.56Å; W155-L162 HydrophobicContact CE3-CG 4.1Å; W155-L162 HydrophobicContact CZ3-CD2 3.35Å; W155-L162 HydrophobicContact CZ3-CG 4.33Å; L162-L164 PolarHBondContact O-N 3.4Å; L162-L164 VanDerWaalsContact O-N 3.17Å
163	N	41.1	Very low	43.1	Very low	99 Å²	99	89.6 Å²	89.6	53%	0.529	47%	0.472	S	S	.	.			trans	-74.7	103.9	167.6	-76.9	-22.9	0	0	0	108.1	T156 L161 L165	T156-N163 PolarHBondContact OG1-O 2.97Å; T156-N163 VanDerWaalsContact OG1-O 3.06Å; L161-N163 PolarHBondContact O-N 3.38Å; N163-L165 VanDerWaalsContact C-N 3.27Å; N163-L165 PolarHBondContact O-N 3.05Å
164	L	46.7	Very low	42.4	Very low	36 Å²	36	94.9 Å²	94.9	19%	0.188	50%	0.499	C	S	.	.			trans	-60.2	89.8	158.9	-93	153.1	0	0	0	107.9	D138 I141 Y142 T153 L162 L166	D138-L164 HydrophobicContact CB-CD1 4.17Å; D138-L164 WeakPolarHBondContact OD2-CD1 3.5Å; I141-L164 HydrophobicContact CB-CD1 4.24Å; I141-L164 HydrophobicContact CG2-CD1 3.77Å; Y142-L164 HydrophobicContact CD2-CD2 3.71Å; Y142-L164 HydrophobicContact CE2-CD2 4.45Å; T153-L164 HydrophobicContact CG2-CD2 3.83Å; L162-L164 PolarHBondContact O-N 3.4Å; L162-L164 VanDerWaalsContact O-N 3.17Å; L164-L166 PolarHBondContact O-N 3.23Å; L164-L166 VanDerWaalsContact O-N 3.15Å
165	L	47.1	Very low	41.4	Very low	100 Å²	100	97.1 Å²	97.1	52%	0.524	52%	0.515	S	S	.	.	B	Isolated β-bridge	trans	-75.4	104.3	162.4	-78.4	149.9	0	0	0	106.3	F154 N163	F154-L165 HydrophobicContact CB-CB 4.08Å; F154-L165 HydrophobicContact CD1-CB 3.66Å; F154-L165 HydrophobicContact CD1-CD1 3.47Å; F154-L165 VanDerWaalsContact CD1-CD1 3.47Å; F154-L165 HydrophobicContact CD1-CG 4.14Å; F154-L165 HydrophobicContact CE1-CB 4.4Å; F154-L165 HydrophobicContact CE1-CD1 3.34Å; F154-L165 HydrophobicContact CE1-CG 4.45Å; F154-L165 HydrophobicContact CG-CB 4.19Å; F154-L165 HydrophobicContact CZ-CD1 4.42Å; N163-L165 VanDerWaalsContact C-N 3.27Å; N163-L165 PolarHBondContact O-N 3.05Å
166	L	40.1	Very low	40.1	Very low	118 Å²	118	103.3 Å²	103.3	62%	0.618	55%	0.55	S	S	*	.			trans	-48.2	138.1	-179.5	-74.3	161.8	0	0	0	111.3	I145 L164 Q168	I145-L166 HydrophobicContact CD1-CD2 3.85Å; I145-L166 HydrophobicContact CG1-CD2 4.47Å; I145-L166 HydrophobicContact CG2-CD2 3.8Å; L164-L166 PolarHBondContact O-N 3.23Å; L164-L166 VanDerWaalsContact O-N 3.15Å; L166-Q168 PolarHBondContact O-N 3.49Å; L166-Q168 VanDerWaalsContact O-N 3.11Å
167	C	35	Very low	39.4	Very low	56 Å²	56	110.1 Å²	110.1	38%	0.378	58%	0.584	S	S	.	*			trans	-44.9	113.6	159	-56.3	0	0	0	0	109.6	S152	S152-C167 VanDerWaalsContact C-SG 3.52Å; S152-C167 VanDerWaalsContact CB-SG 3.51Å; S152-C167 PolarHBondContact O-SG 2.8Å
168	Q	31.9	Very low	38.7	Very low	264 Å²	264	113 Å²	113	100%	1.234	61%	0.61	S	S	*	*			trans	-107.3	0	145.1	-70.6	-161.7	-15.7	0	0	107.9	L166	L166-Q168 PolarHBondContact O-N 3.49Å; L166-Q168 VanDerWaalsContact O-N 3.11Å

Retrieved 168 of 168 residues in 215.9 ms (Link to these results)

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