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Very-long-chain (3R)-3-hydroxyacyl-CoA dehydratase

Catalyzes the third of the four reactions of the long-chain fatty acids elongation cycle. This endoplasmic reticulum-bound enzymatic process, allows the addition of two carbons to the chain of long- and very long-chain fatty acids/VLCFAs per cycle. This enzyme catalyzes the dehydration of the 3-hydroxyacyl-CoA intermediate into trans-2,3-enoyl-CoA, within each cycle of fatty acid elongation. Thereby, it participates to the production of VLCFAs of different chain lengths that are involved in multiple biological processes as precursors of membrane lipids and lipid mediators.

AlphaFold DB , UniProt , Accession A0A5K4FD81, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 340 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33	Very low	65.3	Low	240 Å²	240	111.6 Å²	111.6	100%	1.182	59%	0.589	S	S	*	*				0	96.6	0	-74.2	-178.4	-88.6	0	0	107	N3	M1-N3 VanDerWaalsContact C-N 3.33Å; M1-N3 PolarHBondContact O-N 3.18Å
2	I	41.4	Very low	67.5	Low	168 Å²	168	102.3 Å²	102.3	86%	0.862	54%	0.54	S	S	*	.			trans	-66.4	105.4	170.8	-61.9	169.6	0	0	0	103.7	S4	I2-S4 PolarHBondContact O-N 2.78Å; I2-S4 VanDerWaalsContact O-N 3.15Å
3	N	42.9	Very low	69.3	Low	133 Å²	133	99.5 Å²	99.5	71%	0.711	52%	0.518	S	S	*	.			trans	-47.3	126.1	177	-141.7	1.5	0	0	0	105.9	M1 T5	M1-N3 VanDerWaalsContact C-N 3.33Å; M1-N3 PolarHBondContact O-N 3.18Å; N3-T5 PolarHBondContact O-N 3.32Å; N3-T5 PolarHBondContact O-OG1 2.78Å
4	S	46.6	Very low	70.9	Confident	111 Å²	111	93.9 Å²	93.9	78%	0.776	49%	0.487	S	S	*	.			trans	-60.6	85.7	175.4	56.7	0	0	0	0	107	I2 K6	I2-S4 PolarHBondContact O-N 2.78Å; I2-S4 VanDerWaalsContact O-N 3.15Å; S4-K6 VanDerWaalsContact C-N 3.33Å; S4-K6 PolarHBondContact O-N 3.16Å
5	T	56.1	Low	72.1	Confident	89 Å²	89	87.7 Å²	87.7	55%	0.546	46%	0.455	S	S	.	.			trans	-68.8	99.9	-174.7	20.7	0	0	0	0	104.8	N3 C7	N3-T5 PolarHBondContact O-N 3.32Å; N3-T5 PolarHBondContact O-OG1 2.78Å; T5-C7 PolarHBondContact O-N 3.18Å
6	K	69.2	Low	73.2	Confident	188 Å²	188	82.4 Å²	82.4	82%	0.817	43%	0.427	S	S	*	.			trans	-48.5	108.9	179.3	-165.6	177.5	-175.9	-179.3	0	108.1	S4	S4-K6 VanDerWaalsContact C-N 3.33Å; S4-K6 PolarHBondContact O-N 3.16Å
7	C	77	Confident	74.1	Confident	63 Å²	63	78.7 Å²	78.7	43%	0.426	41%	0.41	S	S	.	.			trans	-66.4	141	178.2	-63.8	0	0	0	0	109.3	T5 E58	T5-C7 PolarHBondContact O-N 3.18Å; C7-E58 HydrophobicContact CB-CB 4.09Å; C7-E58 PolarHBondContact SG-OE2 2.92Å
8	I	85.9	Confident	74.7	Confident	59 Å²	59	79.7 Å²	79.7	30%	0.303	41%	0.413	S	S	.	.	B	Isolated β-bridge	trans	-120.1	141.1	-177.9	-63.8	166.2	0	0	0	108.1	K55 K56 Y57 E58	I8-K55 HydrophobicContact CD1-CB 4.39Å; I8-K55 HydrophobicContact CD1-CD 3.56Å; I8-K55 HydrophobicContact CD1-CG 4.2Å; I8-K56 PolarHBondContact N-O 2.8Å; I8-K56 VanDerWaalsContact N-O 3.17Å; I8-Y57 HydrophobicContact CB-CD1 4.28Å; I8-Y57 HydrophobicContact CB-CE1 4.32Å; I8-Y57 HydrophobicContact CG2-CD1 4.31Å; I8-Y57 HydrophobicContact CG2-CE1 4.06Å; I8-Y57 VanDerWaalsContact O-CA 3.28Å; I8-Y57 WeakPolarHBondContact O-CA 3.29Å; I8-E58 PolarHBondContact O-N 3.45Å
9	H	87.3	Confident	75.5	Confident	104 Å²	104	78.9 Å²	78.9	48%	0.481	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-77.5	122.8	171.3	-61.8	-49.7	0	0	0	110.3	E58 W105	H9-E58 PolarHBondContact ND1-O 2.97Å; H9-W105 HydrophobicContact CB-CB 4.01Å; H9-W105 HydrophobicContact CB-CD2 3.74Å; H9-W105 HydrophobicContact CB-CE3 4.42Å; H9-W105 HydrophobicContact CB-CG 3.49Å; H9-W105 VanDerWaalsContact CB-CG 3.49Å; H9-W105 AromaticContact CD2-CD1 3.61Å; H9-W105 AromaticContact CD2-NE1 3.37Å; H9-W105 PolarHBondContact CD2-NE1 3.24Å; H9-W105 AromaticContact CG-CD1 3.72Å; H9-W105 AromaticContact CG-CE2 3.82Å; H9-W105 AromaticContact CG-NE1 3.52Å; H9-W105 AromaticContact NE2-NE1 3.97Å
10	P	89	Confident	76.4	Confident	2 Å²	2	77.1 Å²	77.1	1%	0.013	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-70.2	160.3	173.6	31.3	-33.5	0	0	0	110.2	V12 I25 V27 F44 Y57 F59	P10-V12 HydrophobicContact CG-CG2 4.22Å; P10-V12 PolarHBondContact O-N 3.25Å; P10-I25 HydrophobicContact CB-CG2 3.93Å; P10-I25 HydrophobicContact CG-CG2 3.61Å; P10-V27 HydrophobicContact CB-CG2 3.61Å; P10-V27 HydrophobicContact CG-CG2 4.31Å; P10-F44 HydrophobicContact CG-CE1 4.42Å; P10-Y57 HydrophobicContact CB-CD1 3.73Å; P10-Y57 HydrophobicContact CB-CE1 4.41Å; P10-Y57 HydrophobicContact CB-CG 4.26Å; P10-Y57 HydrophobicContact CG-CD1 4.38Å; P10-F59 HydrophobicContact CG-CD1 3.69Å; P10-F59 HydrophobicContact CG-CE1 3.8Å
11	I	89.9	Confident	77.1	Confident	71 Å²	71	73.4 Å²	73.4	36%	0.364	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	123.9	168.2	-60.9	173.6	0	0	0	107.8	Y13 K26 W105	I11-Y13 HydrophobicContact CG2-CD2 4.15Å; I11-Y13 HydrophobicContact CG2-CE2 3.63Å; I11-K26 WeakPolarHBondContact O-CB 3.36Å; I11-K26 PolarHBondContact O-N 2.9Å; I11-W105 WeakPolarHBondContact CA-O 3.49Å
12	V	91.6	Very high	80	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	121.8	178	-177.1	0	0	0	0	108.7	P10 L23 I25 F59 W105 V106 R107	P10-V12 HydrophobicContact CG-CG2 4.22Å; P10-V12 PolarHBondContact O-N 3.25Å; V12-L23 HydrophobicContact CG1-CB 4.16Å; V12-L23 HydrophobicContact CG1-CD2 4.19Å; V12-I25 HydrophobicContact CG1-CG1 4.27Å; V12-I25 HydrophobicContact CG2-CB 4.46Å; V12-I25 HydrophobicContact CG2-CG1 4.12Å; V12-I25 HydrophobicContact CG2-CG2 4.27Å; V12-F59 HydrophobicContact CG2-CD1 4.43Å; V12-F59 HydrophobicContact CG2-CE1 3.72Å; V12-F59 HydrophobicContact CG2-CE2 4.44Å; V12-F59 HydrophobicContact CG2-CZ 3.71Å; V12-W105 HydrophobicContact CB-CE3 4.26Å; V12-W105 HydrophobicContact CB-CZ3 4.26Å; V12-W105 HydrophobicContact CG2-CE3 3.87Å; V12-W105 HydrophobicContact CG2-CZ3 3.79Å; V12-W105 PolarHBondContact N-O 3.11Å; V12-V106 HydrophobicContact CB-CG2 4.49Å; V12-V106 CarbonylContact O-C 3.54Å; V12-V106 WeakPolarHBondContact O-CA 3.42Å; V12-R107 PolarHBondContact O-N 2.76Å
13	Y	91.3	Very high	82.4	Confident	66 Å²	66	56 Å²	56	26%	0.259	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	132	168.5	-70.8	-85.8	0	0	0	108.5	I11 L23 S24 K26 R107	I11-Y13 HydrophobicContact CG2-CD2 4.15Å; I11-Y13 HydrophobicContact CG2-CE2 3.63Å; Y13-L23 CarbonylContact O-C 3.55Å; Y13-L23 WeakPolarHBondContact O-CA 3.3Å; Y13-S24 PolarHBondContact N-O 2.92Å; Y13-S24 PolarHBondContact O-N 3.45Å; Y13-K26 HydrophobicContact CD2-CD 4.32Å; Y13-K26 HydrophobicContact CD2-CG 3.75Å; Y13-K26 HydrophobicContact CE2-CD 4.44Å; Y13-K26 HydrophobicContact CE2-CG 3.74Å; Y13-R107 CarbonylContact C-O 3.55Å; Y13-R107 VanDerWaalsContact CA-O 3.25Å; Y13-R107 WeakPolarHBondContact CA-O 3.33Å; Y13-R107 HydrophobicContact CD1-CB 3.95Å; Y13-R107 HydrophobicContact CE1-CB 3.94Å
14	W	90.8	Very high	84.7	Confident	21 Å²	21	49.7 Å²	49.7	8%	0.08	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	139.3	177.8	83.4	-75.1	0	0	0	111.6	V21 F22 L23 L96 V106 R107 S108 D109 Y113	W14-V21 HydrophobicContact CE3-CG1 4.41Å; W14-F22 CarbonylContact C-O 3.49Å; W14-F22 WeakPolarHBondContact CA-O 3.4Å; W14-L23 HydrophobicContact CB-CD2 3.64Å; W14-L96 HydrophobicContact CB-CD2 4.03Å; W14-L96 HydrophobicContact CD2-CB 3.95Å; W14-L96 HydrophobicContact CD2-CD1 4.42Å; W14-L96 HydrophobicContact CD2-CD2 4.36Å; W14-L96 HydrophobicContact CD2-CG 4.47Å; W14-L96 HydrophobicContact CE3-CB 4.02Å; W14-L96 HydrophobicContact CE3-CD1 4.03Å; W14-L96 HydrophobicContact CE3-CG 4.48Å; W14-L96 HydrophobicContact CG-CB 4.44Å; W14-L96 HydrophobicContact CG-CD2 4.03Å; W14-L96 HydrophobicContact CH2-CB 4.34Å; W14-L96 HydrophobicContact CZ2-CB 4.33Å; W14-L96 HydrophobicContact CZ3-CB 4.21Å; W14-V106 HydrophobicContact CB-CG1 4.49Å; W14-V106 HydrophobicContact CG-CG1 4.1Å; W14-R107 PolarHBondContact N-O 2.83Å; W14-S108 CarbonylContact O-C 3.53Å; W14-S108 WeakPolarHBondContact O-CA 3.48Å; W14-D109 WeakPolarHBondContact O-CB 3.47Å; W14-D109 PolarHBondContact O-N 2.98Å; W14-Y113 WeakPolarHBondContact CH2-OH 3.39Å; W14-Y113 WeakPolarHBondContact CZ2-OH 3.38Å; W14-Y113 WeakPolarHBondContact CZ3-OH 3.39Å
15	G	89.6	Confident	86.9	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	175.4	175	0	0	0	0	0	110.5	F22	G15-F22 PolarHBondContact N-O 3.27Å; G15-F22 PolarHBondContact O-N 2.95Å
16	Q	90.2	Very high	88.5	Confident	3 Å²	3	45.1 Å²	45.1	1%	0.014	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	151	-178.7	64.6	177.8	-33	0	0	113.4	Y20 S92 W93 R112 Y113 Q114	Q16-Y20 VanDerWaalsContact CA-O 3.3Å; Q16-Y20 WeakPolarHBondContact CA-O 3.39Å; Q16-S92 PolarHBondContact NE2-OG 2.96Å; Q16-W93 PolarHBondContact NE2-O 2.77Å; Q16-R112 CarbonylContact C-O 3.58Å; Q16-Y113 HydrophobicContact CG-CD1 4.15Å; Q16-Y113 HydrophobicContact CG-CE1 3.83Å; Q16-Y113 HydrophobicContact CG-CE2 4.48Å; Q16-Y113 PolarHBondContact NE2-OH 3.05Å; Q16-Q114 PolarHBondContact O-N 2.99Å
17	S	87.6	Confident	89.4	Confident	20 Å²	20	36.3 Å²	36.3	14%	0.14	17%	0.174	C	C	.	.			trans	-110.9	178.2	157.7	67.4	0	0	0	0	108.6	E19 Y20 K87 Q114	S17-E19 PolarHBondContact O-N 3.08Å; S17-Y20 PolarHBondContact N-O 2.77Å; S17-Y20 PolarHBondContact O-N 3.24Å; S17-Y20 VanDerWaalsContact O-O 3.12Å; S17-Y20 PolarHBondContact OG-N 2.78Å; S17-K87 PolarHBondContact O-NZ 2.83Å; S17-Q114 VanDerWaalsContact CB-OE1 3.32Å
18	E	85	Confident	89.8	Confident	97 Å²	97	35 Å²	35	45%	0.453	17%	0.168	S	C	.	.	S	Bend	trans	-52.3	-42.5	174.1	-65.2	178.9	165.9	0	0	112.3	K87 K90 D91	E18-K87 WeakPolarHBondContact O-CD 3.48Å; E18-K90 CarbonylContact O-C 3.59Å; E18-K90 WeakPolarHBondContact O-CA 3.46Å; E18-D91 PolarHBondContact O-N 3.38Å
19	E	90.3	Very high	89.7	Confident	64 Å²	64	37.3 Å²	37.3	30%	0.299	18%	0.181	S	C	.	.	S	Bend	trans	-95.3	-18.7	-174.7	-62.6	-165.5	148.9	0	0	116.1	S17 R86 K87 K90	S17-E19 PolarHBondContact O-N 3.08Å; E19-R86 PolarHBondContact O-NH1 2.93Å; E19-K87 PolarHBondContact O-N 3.41Å; E19-K90 HydrophobicContact CG-CD 4.04Å; E19-K90 HydrophobicContact CG-CG 4.22Å; E19-K90 VanDerWaalsContact OE1-CE 3.24Å; E19-K90 WeakPolarHBondContact OE1-CE 3.38Å; E19-K90 IonicContact OE1-NZ 3.53Å; E19-K90 PolarHBondContact OE1-NZ 2.98Å
20	Y	92.5	Very high	89.5	Confident	43 Å²	43	33.1 Å²	33.1	17%	0.169	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	149.2	-167.7	-62.7	-84.7	0	0	0	112.9	Q16 S17 K84 L85 R86	Q16-Y20 VanDerWaalsContact CA-O 3.3Å; Q16-Y20 WeakPolarHBondContact CA-O 3.39Å; S17-Y20 PolarHBondContact N-O 2.77Å; S17-Y20 PolarHBondContact O-N 3.24Å; S17-Y20 VanDerWaalsContact O-O 3.12Å; S17-Y20 PolarHBondContact OG-N 2.78Å; Y20-K84 HydrophobicContact CD1-CD 4.03Å; Y20-K84 HydrophobicContact CD1-CG 3.71Å; Y20-K84 HydrophobicContact CE1-CD 4.18Å; Y20-K84 VanDerWaalsContact CE1-CE 3.44Å; Y20-K84 HydrophobicContact CE1-CG 4.27Å; Y20-K84 HydrophobicContact CG-CD 4.41Å; Y20-K84 HydrophobicContact CG-CG 4.17Å; Y20-K84 VanDerWaalsContact CZ-NZ 3.3Å; Y20-L85 CarbonylContact C-O 3.56Å; Y20-L85 WeakPolarHBondContact CA-O 3.46Å; Y20-L85 WeakPolarHBondContact CD1-O 3.15Å; Y20-R86 HydrophobicContact CD1-CB 4.11Å; Y20-R86 HydrophobicContact CE1-CB 3.91Å; Y20-R86 HydrophobicContact CE1-CG 4.23Å
21	V	92.3	Very high	89.5	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	134.3	164.1	178.9	0	0	0	0	108.5	W14 L23 L85 K87 W93 L96	W14-V21 HydrophobicContact CE3-CG1 4.41Å; V21-L23 HydrophobicContact CG1-CD2 4.41Å; V21-L85 HydrophobicContact CB-CB 4.33Å; V21-L85 PolarHBondContact N-O 2.95Å; V21-L85 PolarHBondContact O-N 3.45Å; V21-K87 HydrophobicContact CG2-CD 4.29Å; V21-K87 HydrophobicContact CG2-CG 3.99Å; V21-W93 HydrophobicContact CG2-CD2 3.81Å; V21-W93 HydrophobicContact CG2-CE3 3.74Å; V21-W93 HydrophobicContact CG2-CG 4.49Å; V21-W93 HydrophobicContact CG2-CH2 3.97Å; V21-W93 HydrophobicContact CG2-CZ2 4.06Å; V21-W93 HydrophobicContact CG2-CZ3 3.83Å; V21-L96 HydrophobicContact CG1-CD1 3.75Å
22	F	93	Very high	89.3	Confident	41 Å²	41	36.3 Å²	36.3	18%	0.18	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.8	-179.9	-58.7	-80.1	0	0	0	110	W14 G15 V83 K84	W14-F22 CarbonylContact C-O 3.49Å; W14-F22 WeakPolarHBondContact CA-O 3.4Å; G15-F22 PolarHBondContact N-O 3.27Å; G15-F22 PolarHBondContact O-N 2.95Å; F22-V83 CarbonylContact C-O 3.54Å; F22-V83 WeakPolarHBondContact CA-O 3.49Å; F22-K84 HydrophobicContact CD1-CB 4.25Å; F22-K84 HydrophobicContact CD1-CG 4Å; F22-K84 HydrophobicContact CE1-CB 4.33Å; F22-K84 HydrophobicContact CE1-CD 3.89Å; F22-K84 HydrophobicContact CE1-CG 3.65Å
23	L	92.6	Very high	89	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	119.5	172.2	-53.1	173.9	0	0	0	109.5	V12 Y13 W14 V21 F42 N82 V83 L85 L96	V12-L23 HydrophobicContact CG1-CB 4.16Å; V12-L23 HydrophobicContact CG1-CD2 4.19Å; Y13-L23 CarbonylContact O-C 3.55Å; Y13-L23 WeakPolarHBondContact O-CA 3.3Å; W14-L23 HydrophobicContact CB-CD2 3.64Å; V21-L23 HydrophobicContact CG1-CD2 4.41Å; L23-F42 HydrophobicContact CD1-CD1 4.04Å; L23-F42 HydrophobicContact CD1-CE1 4.19Å; L23-F42 HydrophobicContact CD1-CG 4.35Å; L23-N82 CarbonylContact O-C 3.38Å; L23-N82 WeakPolarHBondContact O-CA 3.31Å; L23-V83 HydrophobicContact CB-CB 4.1Å; L23-V83 HydrophobicContact CB-CG2 4.47Å; L23-V83 PolarHBondContact N-O 3.43Å; L23-V83 PolarHBondContact O-N 3.46Å; L23-L85 HydrophobicContact CD1-CD1 3.92Å; L23-L85 HydrophobicContact CG-CD1 4.41Å; L23-L96 HydrophobicContact CD2-CD1 3.99Å; L23-L96 HydrophobicContact CD2-CD2 3.89Å
24	S	91.1	Very high	88.8	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.007	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	96.8	170.5	161.1	0	0	0	0	109.3	Y13 K26	Y13-S24 PolarHBondContact N-O 2.92Å; Y13-S24 PolarHBondContact O-N 3.45Å; S24-K26 PolarHBondContact O-N 3.4Å; S24-K26 WeakPolarHBondContact OG-CE 3.26Å; S24-K26 PolarHBondContact OG-NZ 3.09Å
25	I	92.6	Very high	88.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	112.5	179.7	-52.9	166.9	0	0	0	108.7	P10 V12 V27 F42 F44 F59 S80 V81 V83	P10-I25 HydrophobicContact CB-CG2 3.93Å; P10-I25 HydrophobicContact CG-CG2 3.61Å; V12-I25 HydrophobicContact CG1-CG1 4.27Å; V12-I25 HydrophobicContact CG2-CB 4.46Å; V12-I25 HydrophobicContact CG2-CG1 4.12Å; V12-I25 HydrophobicContact CG2-CG2 4.27Å; I25-V27 HydrophobicContact CG2-CG2 3.99Å; I25-V27 PolarHBondContact O-N 2.9Å; I25-F42 HydrophobicContact CD1-CE1 3.95Å; I25-F42 HydrophobicContact CD1-CZ 4.08Å; I25-F44 HydrophobicContact CD1-CB 4.37Å; I25-F44 HydrophobicContact CD1-CD1 4.37Å; I25-F44 HydrophobicContact CD1-CD2 3.54Å; I25-F44 HydrophobicContact CD1-CE2 3.86Å; I25-F44 HydrophobicContact CD1-CG 3.84Å; I25-F44 HydrophobicContact CD1-CZ 4.38Å; I25-F44 HydrophobicContact CG2-CD1 4.34Å; I25-F44 HydrophobicContact CG2-CE1 3.87Å; I25-F44 HydrophobicContact CG2-CE2 4.44Å; I25-F44 HydrophobicContact CG2-CZ 3.92Å; I25-F59 HydrophobicContact CD1-CE1 3.88Å; I25-F59 HydrophobicContact CD1-CZ 3.76Å; I25-F59 HydrophobicContact CG1-CE1 4.08Å; I25-F59 HydrophobicContact CG1-CZ 3.98Å; I25-F59 HydrophobicContact CG2-CE1 4.08Å; I25-S80 CarbonylContact O-C 3.53Å; I25-S80 WeakPolarHBondContact O-CA 3.37Å; I25-S80 VanDerWaalsContact O-CB 3.28Å; I25-S80 WeakPolarHBondContact O-CB 3.48Å; I25-V81 HydrophobicContact CB-CB 4.22Å; I25-V81 WeakPolarHBondContact CB-O 3.48Å; I25-V81 HydrophobicContact CD1-CB 4.4Å; I25-V81 HydrophobicContact CD1-CG1 4.48Å; I25-V81 PolarHBondContact N-O 3.3Å; I25-V81 PolarHBondContact O-N 2.92Å; I25-V83 HydrophobicContact CD1-CG2 4Å
26	K	90	Very high	88.9	Confident	104 Å²	104	42.8 Å²	42.8	45%	0.452	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	82.8	-175.9	-63.2	-57.8	-170.7	-169.3	0	111.6	I11 Y13 S24	I11-K26 WeakPolarHBondContact O-CB 3.36Å; I11-K26 PolarHBondContact O-N 2.9Å; Y13-K26 HydrophobicContact CD2-CD 4.32Å; Y13-K26 HydrophobicContact CD2-CG 3.75Å; Y13-K26 HydrophobicContact CE2-CD 4.44Å; Y13-K26 HydrophobicContact CE2-CG 3.74Å; S24-K26 PolarHBondContact O-N 3.4Å; S24-K26 WeakPolarHBondContact OG-CE 3.26Å; S24-K26 PolarHBondContact OG-NZ 3.09Å
27	V	87.9	Confident	89	Confident	2 Å²	2	44 Å²	44	1%	0.012	24%	0.236	C	C	.	.			trans	-126.6	114.3	172.1	178.8	0	0	0	0	108.2	P10 I25 A30 F44 Y57 L79	P10-V27 HydrophobicContact CB-CG2 3.61Å; P10-V27 HydrophobicContact CG-CG2 4.31Å; I25-V27 HydrophobicContact CG2-CG2 3.99Å; I25-V27 PolarHBondContact O-N 2.9Å; V27-A30 HydrophobicContact CB-CB 4.12Å; V27-A30 HydrophobicContact CG1-CB 3.74Å; V27-F44 HydrophobicContact CG2-CE1 4.46Å; V27-Y57 HydrophobicContact CG1-CD2 3.86Å; V27-Y57 HydrophobicContact CG1-CE2 4.18Å; V27-Y57 HydrophobicContact CG2-CD1 4.34Å; V27-Y57 HydrophobicContact CG2-CD2 3.98Å; V27-Y57 HydrophobicContact CG2-CG 3.87Å; V27-L79 CarbonylContact C-O 3.6Å; V27-L79 CarbonylContact O-C 3.46Å
28	A	84.9	Confident	89.3	Confident	35 Å²	35	46 Å²	46	29%	0.289	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	139.3	178.6	0	0	0	0	0	110.9	A30 T49 S78	A28-A30 PolarHBondContact O-N 3.02Å; A28-T49 PolarHBondContact O-N 3.46Å; A28-S78 WeakPolarHBondContact CA-O 3.49Å
29	N	83.6	Confident	89.5	Confident	109 Å²	109	45.4 Å²	45.4	58%	0.583	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	47.5	46.7	-176.6	-60.4	-40.4	0	0	0	112.1	N31 S78	N29-N31 PolarHBondContact O-N 3.38Å; N29-S78 PolarHBondContact N-O 3.35Å; N29-S78 PolarHBondContact OD1-O 3.35Å
30	A	84.2	Confident	89.6	Confident	15 Å²	15	48.8 Å²	48.8	12%	0.124	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	118	-177.9	0	0	0	0	0	110.9	V27 A28 A46 M47 V81	V27-A30 HydrophobicContact CB-CB 4.12Å; V27-A30 HydrophobicContact CG1-CB 3.74Å; A28-A30 PolarHBondContact O-N 3.02Å; A30-A46 HydrophobicContact CB-CB 4.46Å; A30-M47 CarbonylContact C-O 3.22Å; A30-M47 WeakPolarHBondContact CA-O 3.34Å; A30-V81 HydrophobicContact CB-CG2 3.83Å
31	N	87.8	Confident	89.5	Confident	104 Å²	104	50 Å²	50	56%	0.556	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	103.1	160.8	-170.5	7.9	0	0	0	107.7	N29 D33 A46 M47	N29-N31 PolarHBondContact O-N 3.38Å; N31-D33 PolarHBondContact O-N 3.14Å; N31-A46 CarbonylContact O-C 3.45Å; N31-A46 WeakPolarHBondContact O-CA 3.18Å; N31-A46 WeakPolarHBondContact O-CB 3.27Å; N31-M47 PolarHBondContact N-O 3.34Å; N31-M47 PolarHBondContact O-N 3.02Å
32	V	86.5	Confident	89.6	Confident	37 Å²	37	50 Å²	50	22%	0.224	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	119.2	-174.2	176.5	0	0	0	0	109.8	I35 A46 V76 V81	V32-I35 HydrophobicContact CG1-CD1 3.64Å; V32-I35 HydrophobicContact CG1-CG1 3.57Å; V32-I35 HydrophobicContact CG2-CD1 4.28Å; V32-A46 HydrophobicContact CG2-CB 4.41Å; V32-V76 HydrophobicContact CG2-CG1 4.38Å; V32-V76 HydrophobicContact CG2-CG2 3.66Å; V32-V81 HydrophobicContact CG2-CG2 4.2Å
33	D	85.7	Confident	89.6	Confident	83 Å²	83	51.6 Å²	51.6	44%	0.444	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-50.9	175.4	-57.1	-43.4	0	0	0	109.8	N31 S45	N31-D33 PolarHBondContact O-N 3.14Å; D33-S45 PolarHBondContact N-O 2.98Å; D33-S45 PolarHBondContact OD2-OG 3.33Å
34	S	87.2	Confident	89.7	Confident	56 Å²	56	51.7 Å²	51.7	39%	0.392	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	139.9	177.8	61.8	0	0	0	0	112	S45	S34-S45 PolarHBondContact N-O 3.37Å; S34-S45 PolarHBondContact O-N 3.43Å
35	I	90	Very high	89.7	Confident	29 Å²	29	51.9 Å²	51.9	15%	0.149	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	115.2	166.5	-67.6	175.1	0	0	0	106	V32 I37 F42 M43 F44 Y74 V81	V32-I35 HydrophobicContact CG1-CD1 3.64Å; V32-I35 HydrophobicContact CG1-CG1 3.57Å; V32-I35 HydrophobicContact CG2-CD1 4.28Å; I35-I37 HydrophobicContact CG2-CD1 4.34Å; I35-I37 HydrophobicContact CG2-CG1 4.05Å; I35-F42 HydrophobicContact CG2-CE2 3.77Å; I35-F42 HydrophobicContact CG2-CZ 4.13Å; I35-M43 WeakPolarHBondContact CA-O 3.09Å; I35-F44 HydrophobicContact CD1-CD2 4.06Å; I35-F44 HydrophobicContact CD1-CE2 4.21Å; I35-F44 HydrophobicContact CG1-CD2 3.83Å; I35-F44 HydrophobicContact CG1-CE2 4.35Å; I35-Y74 HydrophobicContact CB-CD1 4.44Å; I35-Y74 HydrophobicContact CB-CE1 4.23Å; I35-Y74 HydrophobicContact CD1-CD1 4.2Å; I35-Y74 HydrophobicContact CD1-CD2 3.59Å; I35-Y74 HydrophobicContact CD1-CE1 4.29Å; I35-Y74 HydrophobicContact CD1-CE2 3.71Å; I35-Y74 HydrophobicContact CD1-CG 3.85Å; I35-Y74 HydrophobicContact CG2-CD1 3.99Å; I35-Y74 HydrophobicContact CG2-CE1 4.22Å; I35-Y74 HydrophobicContact CG2-CG 4.49Å; I35-V81 HydrophobicContact CD1-CG1 3.89Å
36	T	91.5	Very high	89.6	Confident	54 Å²	54	51.9 Å²	51.9	33%	0.331	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	119.2	177.6	-53.8	0	0	0	0	107.9	N38 M43	T36-N38 WeakPolarHBondContact CG2-OD1 3.4Å; T36-M43 PolarHBondContact N-O 2.95Å; T36-M43 PolarHBondContact O-N 2.63Å
37	I	93	Very high	89.5	Confident	30 Å²	30	50.9 Å²	50.9	15%	0.154	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	104	177.7	-59.2	174.5	0	0	0	105.5	I35 F42 I67 P69 V83 L85	I35-I37 HydrophobicContact CG2-CD1 4.34Å; I35-I37 HydrophobicContact CG2-CG1 4.05Å; I37-F42 HydrophobicContact CG1-CD2 4.05Å; I37-F42 HydrophobicContact CG1-CE2 4Å; I37-I67 HydrophobicContact CG2-CD1 3.47Å; I37-I67 VanDerWaalsContact CG2-CD1 3.47Å; I37-P69 HydrophobicContact CG2-CB 4.26Å; I37-V83 HydrophobicContact CD1-CG1 4.36Å; I37-L85 HydrophobicContact CD1-CD2 4.19Å; I37-L85 HydrophobicContact CG1-CD2 4.32Å; I37-L85 HydrophobicContact CG2-CD2 3.8Å
38	N	92.7	Very high	89.4	Confident	60 Å²	60	50.9 Å²	50.9	32%	0.321	27%	0.274	S	S	.	.			trans	-101	174.3	174.5	-66.7	-25.7	0	0	0	109.1	T36 E40 E41 Y63 I67	T36-N38 WeakPolarHBondContact CG2-OD1 3.4Å; N38-E40 VanDerWaalsContact C-N 3.32Å; N38-E40 PolarHBondContact O-N 3.17Å; N38-E41 HydrophobicContact CB-CG 3.72Å; N38-E41 WeakPolarHBondContact CB-O 3.42Å; N38-E41 PolarHBondContact N-O 3.23Å; N38-E41 PolarHBondContact ND2-OE1 2.86Å; N38-Y63 WeakPolarHBondContact O-CE2 2.83Å; N38-I67 WeakPolarHBondContact O-CD1 3.4Å; N38-I67 WeakPolarHBondContact O-CG1 3.37Å
39	Q	90.6	Very high	89.2	Confident	85 Å²	85	52.2 Å²	52.2	40%	0.397	28%	0.279	S	S	.	.	S	Bend	trans	-66.2	-34.1	179.5	-178.1	171	7.2	0	0	112.7	Y63 P66 I67 P69 E88	Q39-Y63 WeakPolarHBondContact O-CD2 3.34Å; Q39-P66 HydrophobicContact CG-CB 3.94Å; Q39-P66 CarbonylContact O-C 3.48Å; Q39-P66 VanDerWaalsContact O-CA 3.27Å; Q39-P66 WeakPolarHBondContact O-CA 3.44Å; Q39-I67 WeakPolarHBondContact CG-O 3.26Å; Q39-I67 PolarHBondContact O-N 3Å; Q39-P69 HydrophobicContact CB-CG 4.42Å; Q39-E88 PolarHBondContact NE2-OE2 2.75Å
40	E	91.5	Very high	88.7	Confident	135 Å²	135	48 Å²	48	63%	0.631	26%	0.262	S	S	*	.	S	Bend	trans	-115.7	-9.4	-173.7	-63.3	-175.3	167.1	0	0	113.9	N38 S62 Y63	N38-E40 VanDerWaalsContact C-N 3.32Å; N38-E40 PolarHBondContact O-N 3.17Å; E40-S62 CarbonylContact O-C 3.54Å; E40-S62 WeakPolarHBondContact O-CA 3.3Å; E40-Y63 WeakPolarHBondContact O-CD2 3.07Å; E40-Y63 PolarHBondContact O-N 2.93Å
41	E	91.6	Very high	88.1	Confident	69 Å²	69	52.6 Å²	52.6	32%	0.322	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	150	-177.4	63.9	175.7	-175	0	0	113.6	N38 I61 Y63	N38-E41 HydrophobicContact CB-CG 3.72Å; N38-E41 WeakPolarHBondContact CB-O 3.42Å; N38-E41 PolarHBondContact N-O 3.23Å; N38-E41 PolarHBondContact ND2-OE1 2.86Å; E41-I61 CarbonylContact C-O 3.58Å; E41-I61 VanDerWaalsContact CA-O 3.29Å; E41-I61 WeakPolarHBondContact CA-O 3.29Å; E41-Y63 VanDerWaalsContact C-CZ 3.41Å; E41-Y63 VanDerWaalsContact N-CE2 3.26Å; E41-Y63 WeakPolarHBondContact O-CE2 3.25Å; E41-Y63 PolarHBondContact O-OH 2.98Å
42	F	93.5	Very high	87.4	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.6	170.8	-175.9	-111.9	0	0	0	110	L23 I25 I35 I37 F44 F59 S60 I61 Y63 V83 L85	L23-F42 HydrophobicContact CD1-CD1 4.04Å; L23-F42 HydrophobicContact CD1-CE1 4.19Å; L23-F42 HydrophobicContact CD1-CG 4.35Å; I25-F42 HydrophobicContact CD1-CE1 3.95Å; I25-F42 HydrophobicContact CD1-CZ 4.08Å; I35-F42 HydrophobicContact CG2-CE2 3.77Å; I35-F42 HydrophobicContact CG2-CZ 4.13Å; I37-F42 HydrophobicContact CG1-CD2 4.05Å; I37-F42 HydrophobicContact CG1-CE2 4Å; F42-F44 HydrophobicContact CD1-CB 4.42Å; F42-F44 HydrophobicContact CE1-CB 3.59Å; F42-F44 HydrophobicContact CE1-CG 4.49Å; F42-F44 HydrophobicContact CZ-CB 3.98Å; F42-F59 AromaticContact CD1-CE2 3.61Å; F42-F59 HydrophobicContact CD1-CE2 3.61Å; F42-F59 AromaticContact CD1-CZ 3.95Å; F42-F59 HydrophobicContact CD1-CZ 3.95Å; F42-F59 HydrophobicContact CE1-CE1 4.48Å; F42-F59 AromaticContact CE1-CE2 3.76Å; F42-F59 HydrophobicContact CE1-CE2 3.76Å; F42-F59 AromaticContact CE1-CZ 3.57Å; F42-F59 HydrophobicContact CE1-CZ 3.57Å; F42-S60 CarbonylContact O-C 3.56Å; F42-S60 WeakPolarHBondContact O-CA 3.41Å; F42-S60 PolarHBondContact O-OG 2.84Å; F42-I61 PolarHBondContact N-O 3.33Å; F42-I61 PolarHBondContact O-N 2.93Å; F42-Y63 WeakPolarHBondContact CA-OH 3.26Å; F42-Y63 HydrophobicContact CB-CE1 3.57Å; F42-Y63 VanDerWaalsContact CB-OH 3.23Å; F42-Y63 WeakPolarHBondContact CB-OH 3.46Å; F42-V83 HydrophobicContact CE2-CG1 3.9Å; F42-V83 HydrophobicContact CE2-CG2 4.16Å; F42-V83 HydrophobicContact CZ-CG1 4.34Å; F42-V83 HydrophobicContact CZ-CG2 3.77Å; F42-L85 HydrophobicContact CD2-CD2 4.46Å
43	M	93	Very high	87.2	Confident	74 Å²	74	53.6 Å²	53.6	37%	0.365	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	133.5	172	-55.3	-178.8	70.7	0	0	111	I35 T36	I35-M43 WeakPolarHBondContact CA-O 3.09Å; T36-M43 PolarHBondContact N-O 2.95Å; T36-M43 PolarHBondContact O-N 2.63Å
44	F	94.3	Very high	87	Confident	3 Å²	3	54.5 Å²	54.5	1%	0.013	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	130.1	179.3	172.5	-92.3	0	0	0	110.7	P10 I25 V27 I35 F42 A46 E58 F59 V81	P10-F44 HydrophobicContact CG-CE1 4.42Å; I25-F44 HydrophobicContact CD1-CB 4.37Å; I25-F44 HydrophobicContact CD1-CD1 4.37Å; I25-F44 HydrophobicContact CD1-CD2 3.54Å; I25-F44 HydrophobicContact CD1-CE2 3.86Å; I25-F44 HydrophobicContact CD1-CG 3.84Å; I25-F44 HydrophobicContact CD1-CZ 4.38Å; I25-F44 HydrophobicContact CG2-CD1 4.34Å; I25-F44 HydrophobicContact CG2-CE1 3.87Å; I25-F44 HydrophobicContact CG2-CE2 4.44Å; I25-F44 HydrophobicContact CG2-CZ 3.92Å; V27-F44 HydrophobicContact CG2-CE1 4.46Å; I35-F44 HydrophobicContact CD1-CD2 4.06Å; I35-F44 HydrophobicContact CD1-CE2 4.21Å; I35-F44 HydrophobicContact CG1-CD2 3.83Å; I35-F44 HydrophobicContact CG1-CE2 4.35Å; F42-F44 HydrophobicContact CD1-CB 4.42Å; F42-F44 HydrophobicContact CE1-CB 3.59Å; F42-F44 HydrophobicContact CE1-CG 4.49Å; F42-F44 HydrophobicContact CZ-CB 3.98Å; F44-A46 HydrophobicContact CE1-CB 3.87Å; F44-A46 HydrophobicContact CE2-CB 4.04Å; F44-A46 HydrophobicContact CZ-CB 3.39Å; F44-E58 VanDerWaalsContact O-CA 3.25Å; F44-E58 WeakPolarHBondContact O-CA 3.11Å; F44-F59 HydrophobicContact CB-CD1 4.08Å; F44-F59 HydrophobicContact CB-CE1 3.74Å; F44-F59 HydrophobicContact CB-CZ 4.04Å; F44-F59 AromaticContact CD1-CD1 3.81Å; F44-F59 HydrophobicContact CD1-CD1 3.81Å; F44-F59 AromaticContact CD1-CE1 3.59Å; F44-F59 HydrophobicContact CD1-CE1 3.59Å; F44-F59 HydrophobicContact CE1-CE1 4.45Å; F44-F59 HydrophobicContact CG-CD1 4.3Å; F44-F59 AromaticContact CG-CE1 3.83Å; F44-F59 HydrophobicContact CG-CE1 3.83Å; F44-F59 HydrophobicContact CG-CZ 4.45Å; F44-F59 PolarHBondContact N-O 2.96Å; F44-F59 PolarHBondContact O-N 3.15Å; F44-V81 HydrophobicContact CE2-CB 4.09Å; F44-V81 HydrophobicContact CE2-CG1 4.14Å; F44-V81 HydrophobicContact CE2-CG2 3.94Å; F44-V81 HydrophobicContact CZ-CG2 4.22Å
45	S	91.5	Very high	87	Confident	6 Å²	6	54.7 Å²	54.7	4%	0.042	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	128.9	167.1	-178	0	0	0	0	110	D33 S34 K56 Y57	D33-S45 PolarHBondContact N-O 2.98Å; D33-S45 PolarHBondContact OD2-OG 3.33Å; S34-S45 PolarHBondContact N-O 3.37Å; S34-S45 PolarHBondContact O-N 3.43Å; S45-K56 WeakPolarHBondContact OG-CE 3.41Å; S45-Y57 WeakPolarHBondContact CA-O 3.15Å
46	A	91	Very high	86.9	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	150.5	173.4	0	0	0	0	0	111.6	A30 N31 V32 F44 Y57	A30-A46 HydrophobicContact CB-CB 4.46Å; N31-A46 CarbonylContact O-C 3.45Å; N31-A46 WeakPolarHBondContact O-CA 3.18Å; N31-A46 WeakPolarHBondContact O-CB 3.27Å; V32-A46 HydrophobicContact CG2-CB 4.41Å; F44-A46 HydrophobicContact CE1-CB 3.87Å; F44-A46 HydrophobicContact CE2-CB 4.04Å; F44-A46 HydrophobicContact CZ-CB 3.39Å; A46-Y57 PolarHBondContact N-O 3.46Å; A46-Y57 PolarHBondContact O-N 3.19Å
47	M	88.5	Confident	86.8	Confident	83 Å²	83	54.9 Å²	54.9	41%	0.409	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	137.5	162	-67.7	-153.6	-67.6	0	0	110	A30 N31 V54 K55	A30-M47 CarbonylContact C-O 3.22Å; A30-M47 WeakPolarHBondContact CA-O 3.34Å; N31-M47 PolarHBondContact N-O 3.34Å; N31-M47 PolarHBondContact O-N 3.02Å; M47-V54 HydrophobicContact CB-CG1 4.47Å; M47-K55 WeakPolarHBondContact CA-O 3.49Å
48	G	85.4	Confident	86.7	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.01	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	168.9	175.4	0	0	0	0	0	112.8	V54 K55	G48-V54 WeakPolarHBondContact O-CA 3.32Å; G48-K55 PolarHBondContact N-O 2.86Å; G48-K55 PolarHBondContact O-N 2.86Å
49	T	80.3	Confident	86.7	Confident	63 Å²	63	54.3 Å²	54.3	39%	0.387	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	113.6	-176.7	-51.9	0	0	0	0	109.5	A28	A28-T49 PolarHBondContact O-N 3.46Å
50	G	73.4	Confident	86.6	Confident	22 Å²	22	53 Å²	53	23%	0.227	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-172.7	167.6	0	0	0	0	0	111.9	D52 G53	G50-D52 PolarHBondContact O-N 2.74Å; G50-G53 PolarHBondContact N-O 3.19Å; G50-G53 PolarHBondContact O-N 2.76Å
51	A	71.4	Confident	86.6	Confident	111 Å²	111	46.9 Å²	46.9	92%	0.917	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-35.5	173.8	0	0	0	0	0	112.6	G53	A51-G53 VanDerWaalsContact C-N 3.31Å; A51-G53 PolarHBondContact O-N 3.1Å
52	D	73.8	Confident	86.5	Confident	131 Å²	131	46.4 Å²	46.4	70%	0.701	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	22.6	-179.4	-52.6	-38.2	0	0	0	113.1	G50 K55	G50-D52 PolarHBondContact O-N 2.74Å; D52-K55 HydrophobicContact CB-CD 4.44Å; D52-K55 IonicContact OD2-NZ 3.03Å; D52-K55 PolarHBondContact OD2-NZ 2.98Å
53	G	80.8	Confident	86.4	Confident	30 Å²	30	46.7 Å²	46.7	31%	0.309	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	89.8	-161.3	-178.4	0	0	0	0	0	114.7	G50 A51 K55	G50-G53 PolarHBondContact N-O 3.19Å; G50-G53 PolarHBondContact O-N 2.76Å; A51-G53 VanDerWaalsContact C-N 3.31Å; A51-G53 PolarHBondContact O-N 3.1Å; G53-K55 PolarHBondContact O-N 3.44Å
54	V	82.9	Confident	86.3	Confident	102 Å²	102	44.6 Å²	44.6	62%	0.618	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	120	-175	-176.6	0	0	0	0	110.1	M47 G48	M47-V54 HydrophobicContact CB-CG1 4.47Å; G48-V54 WeakPolarHBondContact O-CA 3.32Å
55	K	85.8	Confident	86.1	Confident	61 Å²	61	44.8 Å²	44.8	27%	0.265	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	153.7	-179.1	-76	168.9	161.2	-173.6	0	110	I8 M47 G48 D52 G53 Y57	I8-K55 HydrophobicContact CD1-CB 4.39Å; I8-K55 HydrophobicContact CD1-CD 3.56Å; I8-K55 HydrophobicContact CD1-CG 4.2Å; M47-K55 WeakPolarHBondContact CA-O 3.49Å; G48-K55 PolarHBondContact N-O 2.86Å; G48-K55 PolarHBondContact O-N 2.86Å; D52-K55 HydrophobicContact CB-CD 4.44Å; D52-K55 IonicContact OD2-NZ 3.03Å; D52-K55 PolarHBondContact OD2-NZ 2.98Å; G53-K55 PolarHBondContact O-N 3.44Å; K55-Y57 HydrophobicContact CB-CE2 3.96Å; K55-Y57 WeakPolarHBondContact O-CD2 3.05Å
56	K	87.8	Confident	86.1	Confident	59 Å²	59	45.1 Å²	45.1	26%	0.257	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	122.9	171.1	-172	178.1	179	-159	0	109.3	I8 S45 E58	I8-K56 PolarHBondContact N-O 2.8Å; I8-K56 VanDerWaalsContact N-O 3.17Å; S45-K56 WeakPolarHBondContact OG-CE 3.41Å; K56-E58 WeakPolarHBondContact CE-OE2 3.21Å; K56-E58 IonicContact NZ-OE2 3.41Å; K56-E58 PolarHBondContact NZ-OE2 2.81Å
57	Y	89.8	Confident	86.3	Confident	28 Å²	28	45.1 Å²	45.1	11%	0.11	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	130.5	176.6	-66.5	-85.8	0	0	0	109.7	I8 P10 V27 S45 A46 K55	I8-Y57 HydrophobicContact CB-CD1 4.28Å; I8-Y57 HydrophobicContact CB-CE1 4.32Å; I8-Y57 HydrophobicContact CG2-CD1 4.31Å; I8-Y57 HydrophobicContact CG2-CE1 4.06Å; I8-Y57 VanDerWaalsContact O-CA 3.28Å; I8-Y57 WeakPolarHBondContact O-CA 3.29Å; P10-Y57 HydrophobicContact CB-CD1 3.73Å; P10-Y57 HydrophobicContact CB-CE1 4.41Å; P10-Y57 HydrophobicContact CB-CG 4.26Å; P10-Y57 HydrophobicContact CG-CD1 4.38Å; V27-Y57 HydrophobicContact CG1-CD2 3.86Å; V27-Y57 HydrophobicContact CG1-CE2 4.18Å; V27-Y57 HydrophobicContact CG2-CD1 4.34Å; V27-Y57 HydrophobicContact CG2-CD2 3.98Å; V27-Y57 HydrophobicContact CG2-CG 3.87Å; S45-Y57 WeakPolarHBondContact CA-O 3.15Å; A46-Y57 PolarHBondContact N-O 3.46Å; A46-Y57 PolarHBondContact O-N 3.19Å; K55-Y57 HydrophobicContact CB-CE2 3.96Å; K55-Y57 WeakPolarHBondContact O-CD2 3.05Å
58	E	91.4	Very high	86.6	Confident	70 Å²	70	43.2 Å²	43.2	33%	0.327	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	139.6	-176.5	-167.5	169.5	178.9	0	0	110.4	C7 I8 H9 F44 K56	C7-E58 HydrophobicContact CB-CB 4.09Å; C7-E58 PolarHBondContact SG-OE2 2.92Å; I8-E58 PolarHBondContact O-N 3.45Å; H9-E58 PolarHBondContact ND1-O 2.97Å; F44-E58 VanDerWaalsContact O-CA 3.25Å; F44-E58 WeakPolarHBondContact O-CA 3.11Å; K56-E58 WeakPolarHBondContact CE-OE2 3.21Å; K56-E58 IonicContact NZ-OE2 3.41Å; K56-E58 PolarHBondContact NZ-OE2 2.81Å
59	F	91.8	Very high	87	Confident	7 Å²	7	44.9 Å²	44.9	3%	0.031	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	158.8	170	70.5	-89.6	0	0	0	111	P10 V12 I25 F42 F44 I61 W105	P10-F59 HydrophobicContact CG-CD1 3.69Å; P10-F59 HydrophobicContact CG-CE1 3.8Å; V12-F59 HydrophobicContact CG2-CD1 4.43Å; V12-F59 HydrophobicContact CG2-CE1 3.72Å; V12-F59 HydrophobicContact CG2-CE2 4.44Å; V12-F59 HydrophobicContact CG2-CZ 3.71Å; I25-F59 HydrophobicContact CD1-CE1 3.88Å; I25-F59 HydrophobicContact CD1-CZ 3.76Å; I25-F59 HydrophobicContact CG1-CE1 4.08Å; I25-F59 HydrophobicContact CG1-CZ 3.98Å; I25-F59 HydrophobicContact CG2-CE1 4.08Å; F42-F59 AromaticContact CD1-CE2 3.61Å; F42-F59 HydrophobicContact CD1-CE2 3.61Å; F42-F59 AromaticContact CD1-CZ 3.95Å; F42-F59 HydrophobicContact CD1-CZ 3.95Å; F42-F59 HydrophobicContact CE1-CE1 4.48Å; F42-F59 AromaticContact CE1-CE2 3.76Å; F42-F59 HydrophobicContact CE1-CE2 3.76Å; F42-F59 AromaticContact CE1-CZ 3.57Å; F42-F59 HydrophobicContact CE1-CZ 3.57Å; F44-F59 HydrophobicContact CB-CD1 4.08Å; F44-F59 HydrophobicContact CB-CE1 3.74Å; F44-F59 HydrophobicContact CB-CZ 4.04Å; F44-F59 AromaticContact CD1-CD1 3.81Å; F44-F59 HydrophobicContact CD1-CD1 3.81Å; F44-F59 AromaticContact CD1-CE1 3.59Å; F44-F59 HydrophobicContact CD1-CE1 3.59Å; F44-F59 HydrophobicContact CE1-CE1 4.45Å; F44-F59 HydrophobicContact CG-CD1 4.3Å; F44-F59 AromaticContact CG-CE1 3.83Å; F44-F59 HydrophobicContact CG-CE1 3.83Å; F44-F59 HydrophobicContact CG-CZ 4.45Å; F44-F59 PolarHBondContact N-O 2.96Å; F44-F59 PolarHBondContact O-N 3.15Å; F59-I61 HydrophobicContact CD2-CD1 3.94Å; F59-I61 HydrophobicContact CD2-CG1 3.87Å; F59-I61 HydrophobicContact CE2-CD1 3.63Å; F59-I61 HydrophobicContact CE2-CG1 4.01Å; F59-W105 HydrophobicContact CB-CH2 3.68Å; F59-W105 HydrophobicContact CB-CZ2 4.03Å; F59-W105 HydrophobicContact CB-CZ3 4.15Å; F59-W105 HydrophobicContact CD1-CZ3 4.28Å; F59-W105 AromaticContact CD2-CH2 3.37Å; F59-W105 HydrophobicContact CD2-CH2 3.37Å; F59-W105 HydrophobicContact CD2-CZ2 4.45Å; F59-W105 AromaticContact CD2-CZ3 3.63Å; F59-W105 HydrophobicContact CD2-CZ3 3.63Å; F59-W105 HydrophobicContact CE2-CH2 4.06Å; F59-W105 AromaticContact CE2-CZ3 3.95Å; F59-W105 HydrophobicContact CE2-CZ3 3.95Å; F59-W105 AromaticContact CG-CH2 3.64Å; F59-W105 HydrophobicContact CG-CH2 3.64Å; F59-W105 HydrophobicContact CG-CZ2 4.48Å; F59-W105 AromaticContact CG-CZ3 3.77Å; F59-W105 HydrophobicContact CG-CZ3 3.77Å; F59-W105 HydrophobicContact CZ-CZ3 4.42Å
60	S	89.8	Confident	87.5	Confident	59 Å²	59	49.6 Å²	49.6	41%	0.413	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	143.7	168.7	177.5	0	0	0	0	109.7	F42	F42-S60 CarbonylContact O-C 3.56Å; F42-S60 WeakPolarHBondContact O-CA 3.41Å; F42-S60 PolarHBondContact O-OG 2.84Å
61	I	90.2	Very high	88.4	Confident	6 Å²	6	53.6 Å²	53.6	3%	0.031	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	126.6	177.1	-66.8	173	0	0	0	108.2	E41 F42 F59 L96 T97 L103 W105 V106	E41-I61 CarbonylContact C-O 3.58Å; E41-I61 VanDerWaalsContact CA-O 3.29Å; E41-I61 WeakPolarHBondContact CA-O 3.29Å; F42-I61 PolarHBondContact N-O 3.33Å; F42-I61 PolarHBondContact O-N 2.93Å; F59-I61 HydrophobicContact CD2-CD1 3.94Å; F59-I61 HydrophobicContact CD2-CG1 3.87Å; F59-I61 HydrophobicContact CE2-CD1 3.63Å; F59-I61 HydrophobicContact CE2-CG1 4.01Å; I61-L96 HydrophobicContact CD1-CD2 3.84Å; I61-L96 HydrophobicContact CG2-CG 4.34Å; I61-T97 HydrophobicContact CG2-CG2 3.89Å; I61-L103 HydrophobicContact CD1-CD1 4.34Å; I61-L103 HydrophobicContact CG1-CD1 4.12Å; I61-W105 HydrophobicContact CD1-CH2 3.75Å; I61-W105 HydrophobicContact CD1-CZ3 4.05Å; I61-W105 HydrophobicContact CG1-CH2 3.78Å; I61-V106 HydrophobicContact CD1-CG2 4.44Å
62	S	90.9	Very high	89.5	Confident	59 Å²	59	49 Å²	49	41%	0.413	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	125.6	163.6	-49.3	0	0	0	0	109.1	E40 T97 L98	E40-S62 CarbonylContact O-C 3.54Å; E40-S62 WeakPolarHBondContact O-CA 3.3Å; S62-T97 CarbonylContact O-C 3.58Å; S62-T97 VanDerWaalsContact O-CA 3.29Å; S62-T97 WeakPolarHBondContact O-CA 3.42Å; S62-L98 PolarHBondContact O-N 3.44Å
63	Y	91.4	Very high	90.4	Very high	5 Å²	5	50.1 Å²	50.1	2%	0.02	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-67.9	152.2	-174.3	-57.2	-52.5	0	0	0	112.5	N38 Q39 E40 E41 F42 L65 I67 L85 W93 L98	N38-Y63 WeakPolarHBondContact O-CE2 2.83Å; Q39-Y63 WeakPolarHBondContact O-CD2 3.34Å; E40-Y63 WeakPolarHBondContact O-CD2 3.07Å; E40-Y63 PolarHBondContact O-N 2.93Å; E41-Y63 VanDerWaalsContact C-CZ 3.41Å; E41-Y63 VanDerWaalsContact N-CE2 3.26Å; E41-Y63 WeakPolarHBondContact O-CE2 3.25Å; E41-Y63 PolarHBondContact O-OH 2.98Å; F42-Y63 WeakPolarHBondContact CA-OH 3.26Å; F42-Y63 HydrophobicContact CB-CE1 3.57Å; F42-Y63 VanDerWaalsContact CB-OH 3.23Å; F42-Y63 WeakPolarHBondContact CB-OH 3.46Å; Y63-L65 WeakPolarHBondContact CB-O 3.25Å; Y63-I67 HydrophobicContact CD2-CG1 3.71Å; Y63-I67 HydrophobicContact CD2-CG2 4.13Å; Y63-I67 HydrophobicContact CE2-CB 4.4Å; Y63-I67 HydrophobicContact CE2-CD1 4.09Å; Y63-I67 HydrophobicContact CE2-CG1 3.23Å; Y63-I67 HydrophobicContact CE2-CG2 4.33Å; Y63-I67 HydrophobicContact CG-CG2 4.34Å; Y63-L85 HydrophobicContact CD1-CD1 4.41Å; Y63-L85 HydrophobicContact CE1-CD1 3.49Å; Y63-L85 VanDerWaalsContact CE1-CD1 3.49Å; Y63-W93 HydrophobicContact CD1-CH2 4.3Å; Y63-W93 HydrophobicContact CD1-CZ3 4.44Å; Y63-W93 HydrophobicContact CG-CH2 4.18Å; Y63-L98 WeakPolarHBondContact O-CA 3.46Å; Y63-L98 WeakPolarHBondContact O-CB 3.45Å; Y63-L98 PolarHBondContact O-N 3.4Å
64	Y	89.5	Confident	91	Very high	30 Å²	30	53.9 Å²	53.9	12%	0.118	26%	0.264	C	S	.	.	S	Bend	trans	-60.7	-45.1	167.8	175	-114	0	0	0	112	W93 S94 R95 L96 V132 H134	Y64-W93 HydrophobicContact CD1-CB 3.98Å; Y64-W93 HydrophobicContact CD1-CD2 4.03Å; Y64-W93 HydrophobicContact CD1-CE3 4.46Å; Y64-W93 AromaticContact CD1-CG 3.8Å; Y64-W93 HydrophobicContact CD1-CG 3.8Å; Y64-S94 PolarHBondContact OH-OG 3.45Å; Y64-R95 WeakPolarHBondContact CB-O 3.23Å; Y64-R95 HydrophobicContact CD2-CG 3.55Å; Y64-R95 HydrophobicContact CE2-CG 4.04Å; Y64-R95 HydrophobicContact CG-CG 4.03Å; Y64-L96 PolarHBondContact N-O 2.91Å; Y64-V132 HydrophobicContact CE2-CB 4.27Å; Y64-V132 HydrophobicContact CE2-CG1 3.74Å; Y64-V132 HydrophobicContact CE2-CG2 4.02Å; Y64-V132 WeakPolarHBondContact OH-CG1 3.41Å; Y64-H134 PolarHBondContact O-CE1 2.77Å; Y64-H134 PolarHBondContact O-ND1 3.26Å
65	L	91.1	Very high	91.4	Very high	8 Å²	8	53.2 Å²	53.2	4%	0.042	26%	0.26	C	S	.	.	S	Bend	trans	-134.1	155.7	173.5	-73	169.5	0	0	0	110.5	Y63 L89 W93 H134	Y63-L65 WeakPolarHBondContact CB-O 3.25Å; L65-L89 HydrophobicContact CD1-CB 4.45Å; L65-L89 HydrophobicContact CD1-CD2 3.95Å; L65-W93 HydrophobicContact CB-CZ2 3.89Å; L65-W93 WeakPolarHBondContact O-CH2 3.34Å; L65-W93 WeakPolarHBondContact O-CZ2 3.28Å; L65-H134 WeakPolarHBondContact CD2-ND1 3.37Å
66	P	92.1	Very high	91.5	Very high	13 Å²	13	53.3 Å²	53.3	8%	0.084	27%	0.266	C	S	.	.			trans	-54.2	148.2	176.8	-31.9	40.1	0	0	0	114.3	Q39 E88	Q39-P66 HydrophobicContact CG-CB 3.94Å; Q39-P66 CarbonylContact O-C 3.48Å; Q39-P66 VanDerWaalsContact O-CA 3.27Å; Q39-P66 WeakPolarHBondContact O-CA 3.44Å; P66-E88 HydrophobicContact CB-CB 4.16Å; P66-E88 WeakPolarHBondContact CB-OE2 3.17Å; P66-E88 VanDerWaalsContact O-CB 3.31Å; P66-E88 WeakPolarHBondContact O-CB 3.15Å; P66-E88 PolarHBondContact O-N 2.76Å
67	I	94.7	Very high	91.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	160.4	175.3	65.5	87.4	0	0	0	110.2	I37 N38 Q39 Y63 P69 L85 R86 W93	I37-I67 HydrophobicContact CG2-CD1 3.47Å; I37-I67 VanDerWaalsContact CG2-CD1 3.47Å; N38-I67 WeakPolarHBondContact O-CD1 3.4Å; N38-I67 WeakPolarHBondContact O-CG1 3.37Å; Q39-I67 WeakPolarHBondContact CG-O 3.26Å; Q39-I67 PolarHBondContact O-N 3Å; Y63-I67 HydrophobicContact CD2-CG1 3.71Å; Y63-I67 HydrophobicContact CD2-CG2 4.13Å; Y63-I67 HydrophobicContact CE2-CB 4.4Å; Y63-I67 HydrophobicContact CE2-CD1 4.09Å; Y63-I67 HydrophobicContact CE2-CG1 3.23Å; Y63-I67 HydrophobicContact CE2-CG2 4.33Å; Y63-I67 HydrophobicContact CG-CG2 4.34Å; I67-P69 HydrophobicContact CD1-CB 4.49Å; I67-P69 HydrophobicContact CD1-CG 4.07Å; I67-P69 VanDerWaalsContact O-CD 3.29Å; I67-P69 WeakPolarHBondContact O-CD 3.36Å; I67-L85 HydrophobicContact CG2-CB 4.37Å; I67-R86 CarbonylContact C-O 3.52Å; I67-R86 WeakPolarHBondContact CA-O 3.45Å; I67-R86 WeakPolarHBondContact CB-O 3.02Å; I67-W93 HydrophobicContact CG2-CH2 3.79Å; I67-W93 HydrophobicContact CG2-CZ2 3.94Å
68	I	93.9	Very high	91.2	Very high	43 Å²	43	55.5 Å²	55.5	22%	0.221	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	104.1	176.7	-55.5	175.2	0	0	0	107.9	E70 E71 S72 R86 E88	I68-E70 VanDerWaalsContact C-N 3.3Å; I68-E70 WeakPolarHBondContact CG2-OE2 3.28Å; I68-E70 PolarHBondContact O-N 3.06Å; I68-E71 HydrophobicContact CG2-CB 4.21Å; I68-E71 HydrophobicContact CG2-CG 4.16Å; I68-E71 PolarHBondContact O-N 2.84Å; I68-S72 PolarHBondContact O-N 2.84Å; I68-S72 PolarHBondContact O-OG 3.03Å; I68-R86 HydrophobicContact CB-CB 4.27Å; I68-R86 HydrophobicContact CB-CG 4.07Å; I68-R86 HydrophobicContact CD1-CG 4.07Å; I68-R86 HydrophobicContact CG1-CG 4.36Å; I68-R86 PolarHBondContact N-O 3.35Å; I68-E88 HydrophobicContact CG1-CB 4.27Å; I68-E88 HydrophobicContact CG1-CG 4.41Å
69	P	93.3	Very high	90.8	Very high	36 Å²	36	58.1 Å²	58.1	23%	0.234	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	-35.6	-174.2	-26.4	38.2	0	0	0	113.5	I37 Q39 I67 E71 S72	I37-P69 HydrophobicContact CG2-CB 4.26Å; Q39-P69 HydrophobicContact CB-CG 4.42Å; I67-P69 HydrophobicContact CD1-CB 4.49Å; I67-P69 HydrophobicContact CD1-CG 4.07Å; I67-P69 VanDerWaalsContact O-CD 3.29Å; I67-P69 WeakPolarHBondContact O-CD 3.36Å; P69-E71 VanDerWaalsContact C-N 3.31Å; P69-E71 PolarHBondContact O-N 3.17Å; P69-S72 WeakPolarHBondContact O-CB 3.38Å; P69-S72 PolarHBondContact O-N 2.95Å; P69-S72 VanDerWaalsContact O-N 3.11Å
70	E	92.1	Very high	90.7	Very high	162 Å²	162	58.1 Å²	58.1	76%	0.757	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	-30.4	-174.1	-59	75.5	-162.8	0	0	112.7	I68	I68-E70 VanDerWaalsContact C-N 3.3Å; I68-E70 WeakPolarHBondContact CG2-OE2 3.28Å; I68-E70 PolarHBondContact O-N 3.06Å
71	E	92.8	Very high	90.7	Very high	106 Å²	106	55.3 Å²	55.3	50%	0.495	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-2.6	176.3	-68.6	-172.9	-165.9	0	0	112.9	I68 P69 R86	I68-E71 HydrophobicContact CG2-CB 4.21Å; I68-E71 HydrophobicContact CG2-CG 4.16Å; I68-E71 PolarHBondContact O-N 2.84Å; P69-E71 VanDerWaalsContact C-N 3.31Å; P69-E71 PolarHBondContact O-N 3.17Å; E71-R86 HydrophobicContact CB-CB 3.76Å; E71-R86 HydrophobicContact CB-CG 3.81Å; E71-R86 WeakPolarHBondContact OE2-CD 3.18Å; E71-R86 WeakPolarHBondContact OE2-CG 3.35Å; E71-R86 IonicContact OE2-NE 2.65Å; E71-R86 PolarHBondContact OE2-NE 3.48Å
72	S	94.1	Very high	90.8	Very high	15 Å²	15	56.7 Å²	56.7	11%	0.105	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	142.1	180	-63.5	0	0	0	0	111	I68 P69 K84 L85 R86	I68-S72 PolarHBondContact O-N 2.84Å; I68-S72 PolarHBondContact O-OG 3.03Å; P69-S72 WeakPolarHBondContact O-CB 3.38Å; P69-S72 PolarHBondContact O-N 2.95Å; P69-S72 VanDerWaalsContact O-N 3.11Å; S72-K84 CarbonylContact C-O 3.42Å; S72-K84 WeakPolarHBondContact CA-O 3.29Å; S72-L85 WeakPolarHBondContact OG-CA 3.34Å; S72-R86 PolarHBondContact OG-N 2.94Å
73	R	93.1	Very high	90.9	Very high	154 Å²	154	54 Å²	54	58%	0.581	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.1	160	-174	64.5	-169.8	-174.2	-153.2	4.3	112.3	K84	R73-K84 HydrophobicContact CG-CB 4.19Å; R73-K84 PolarHBondContact N-O 3.24Å; R73-K84 PolarHBondContact O-N 2.91Å
74	Y	92.1	Very high	91	Very high	109 Å²	109	55.9 Å²	55.9	43%	0.427	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	155.7	173.3	69.4	-88.2	0	0	0	111.6	I35 V76 V81 N82	I35-Y74 HydrophobicContact CB-CD1 4.44Å; I35-Y74 HydrophobicContact CB-CE1 4.23Å; I35-Y74 HydrophobicContact CD1-CD1 4.2Å; I35-Y74 HydrophobicContact CD1-CD2 3.59Å; I35-Y74 HydrophobicContact CD1-CE1 4.29Å; I35-Y74 HydrophobicContact CD1-CE2 3.71Å; I35-Y74 HydrophobicContact CD1-CG 3.85Å; I35-Y74 HydrophobicContact CG2-CD1 3.99Å; I35-Y74 HydrophobicContact CG2-CE1 4.22Å; I35-Y74 HydrophobicContact CG2-CG 4.49Å; Y74-V76 HydrophobicContact CD2-CG2 3.93Å; Y74-V76 HydrophobicContact CE2-CG2 3.88Å; Y74-V81 HydrophobicContact CD2-CG1 4.45Å; Y74-N82 CarbonylContact C-O 3.58Å; Y74-N82 VanDerWaalsContact CA-O 3.23Å; Y74-N82 WeakPolarHBondContact CA-O 3.48Å
75	V	90.9	Very high	91.3	Very high	88 Å²	88	54.5 Å²	54.5	53%	0.533	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	122.7	176	-179.7	0	0	0	0	108.1	T77 N82	V75-T77 HydrophobicContact CG1-CG2 4.31Å; V75-N82 PolarHBondContact N-O 3.3Å; V75-N82 PolarHBondContact O-N 2.93Å
76	V	89.1	Confident	91.5	Very high	63 Å²	63	55.1 Å²	55.1	38%	0.382	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	122.3	175	-177	0	0	0	0	108.4	V32 Y74 V81	V32-V76 HydrophobicContact CG2-CG1 4.38Å; V32-V76 HydrophobicContact CG2-CG2 3.66Å; Y74-V76 HydrophobicContact CD2-CG2 3.93Å; Y74-V76 HydrophobicContact CE2-CG2 3.88Å; V76-V81 HydrophobicContact CG1-CG2 4.25Å; V76-V81 HydrophobicContact CG2-CG1 4.28Å; V76-V81 HydrophobicContact CG2-CG2 4.29Å
77	T	87.1	Confident	91.5	Very high	55 Å²	55	54.5 Å²	54.5	34%	0.337	28%	0.276	S	S	.	.			trans	-111.3	170.3	171.2	73.2	0	0	0	0	110	V75 L79 S80	V75-T77 HydrophobicContact CG1-CG2 4.31Å; T77-L79 PolarHBondContact O-N 2.65Å; T77-S80 PolarHBondContact N-O 2.98Å; T77-S80 PolarHBondContact OG1-N 3.33Å; T77-S80 PolarHBondContact OG1-O 3.49Å; T77-S80 PolarHBondContact OG1-OG 3.27Å
78	S	83.1	Confident	91.5	Very high	78 Å²	78	54.9 Å²	54.9	55%	0.545	28%	0.278	S	S	.	.	S	Bend	trans	-62.4	-20.1	176.9	53.7	0	0	0	0	113.7	A28 N29	A28-S78 WeakPolarHBondContact CA-O 3.49Å; N29-S78 PolarHBondContact N-O 3.35Å; N29-S78 PolarHBondContact OD1-O 3.35Å
79	L	85	Confident	91.3	Very high	124 Å²	124	53.4 Å²	53.4	65%	0.649	27%	0.27	S	S	*	.	S	Bend	trans	-110	-23.1	-175.5	-63.2	176	0	0	0	113.6	V27 T77	V27-L79 CarbonylContact C-O 3.6Å; V27-L79 CarbonylContact O-C 3.46Å; T77-L79 PolarHBondContact O-N 2.65Å
80	S	88.2	Confident	91	Very high	8 Å²	8	54.2 Å²	54.2	6%	0.056	27%	0.27	C	S	.	.			trans	-163	157.8	-170.1	57	0	0	0	0	112.4	I25 T77 N82	I25-S80 CarbonylContact O-C 3.53Å; I25-S80 WeakPolarHBondContact O-CA 3.37Å; I25-S80 VanDerWaalsContact O-CB 3.28Å; I25-S80 WeakPolarHBondContact O-CB 3.48Å; T77-S80 PolarHBondContact N-O 2.98Å; T77-S80 PolarHBondContact OG1-N 3.33Å; T77-S80 PolarHBondContact OG1-O 3.49Å; T77-S80 PolarHBondContact OG1-OG 3.27Å; S80-N82 PolarHBondContact OG-ND2 3.41Å; S80-N82 VanDerWaalsContact OG-ND2 3.08Å
81	V	90.1	Very high	90.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	116.9	166.1	-177	0	0	0	0	108.1	I25 A30 V32 I35 F44 Y74 V76 V83	I25-V81 HydrophobicContact CB-CB 4.22Å; I25-V81 WeakPolarHBondContact CB-O 3.48Å; I25-V81 HydrophobicContact CD1-CB 4.4Å; I25-V81 HydrophobicContact CD1-CG1 4.48Å; I25-V81 PolarHBondContact N-O 3.3Å; I25-V81 PolarHBondContact O-N 2.92Å; A30-V81 HydrophobicContact CB-CG2 3.83Å; V32-V81 HydrophobicContact CG2-CG2 4.2Å; I35-V81 HydrophobicContact CD1-CG1 3.89Å; F44-V81 HydrophobicContact CE2-CB 4.09Å; F44-V81 HydrophobicContact CE2-CG1 4.14Å; F44-V81 HydrophobicContact CE2-CG2 3.94Å; F44-V81 HydrophobicContact CZ-CG2 4.22Å; Y74-V81 HydrophobicContact CD2-CG1 4.45Å; V76-V81 HydrophobicContact CG1-CG2 4.25Å; V76-V81 HydrophobicContact CG2-CG1 4.28Å; V76-V81 HydrophobicContact CG2-CG2 4.29Å; V81-V83 HydrophobicContact CG1-CG2 4.31Å
82	N	91.6	Very high	90.3	Very high	35 Å²	35	46.1 Å²	46.1	19%	0.187	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	118.3	179.3	-69.9	-81.5	0	0	0	109.3	L23 Y74 V75 S80 R112	L23-N82 CarbonylContact O-C 3.38Å; L23-N82 WeakPolarHBondContact O-CA 3.31Å; Y74-N82 CarbonylContact C-O 3.58Å; Y74-N82 VanDerWaalsContact CA-O 3.23Å; Y74-N82 WeakPolarHBondContact CA-O 3.48Å; V75-N82 PolarHBondContact N-O 3.3Å; V75-N82 PolarHBondContact O-N 2.93Å; S80-N82 PolarHBondContact OG-ND2 3.41Å; S80-N82 VanDerWaalsContact OG-ND2 3.08Å; N82-R112 PolarHBondContact OD1-NH2 2.89Å
83	V	93.8	Very high	90	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	136.7	179	-168.4	0	0	0	0	108.7	F22 L23 I25 I37 F42 V81 L85	F22-V83 CarbonylContact C-O 3.54Å; F22-V83 WeakPolarHBondContact CA-O 3.49Å; L23-V83 HydrophobicContact CB-CB 4.1Å; L23-V83 HydrophobicContact CB-CG2 4.47Å; L23-V83 PolarHBondContact N-O 3.43Å; L23-V83 PolarHBondContact O-N 3.46Å; I25-V83 HydrophobicContact CD1-CG2 4Å; I37-V83 HydrophobicContact CD1-CG1 4.36Å; F42-V83 HydrophobicContact CE2-CG1 3.9Å; F42-V83 HydrophobicContact CE2-CG2 4.16Å; F42-V83 HydrophobicContact CZ-CG1 4.34Å; F42-V83 HydrophobicContact CZ-CG2 3.77Å; V81-V83 HydrophobicContact CG1-CG2 4.31Å; V83-L85 HydrophobicContact CG1-CD2 3.67Å; V83-L85 HydrophobicContact CG1-CG 3.96Å
84	K	93.7	Very high	89.4	Confident	45 Å²	45	42.4 Å²	42.4	20%	0.196	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	108.6	174.4	-177	-178.9	-168.5	-156	0	107.6	Y20 F22 S72 R73	Y20-K84 HydrophobicContact CD1-CD 4.03Å; Y20-K84 HydrophobicContact CD1-CG 3.71Å; Y20-K84 HydrophobicContact CE1-CD 4.18Å; Y20-K84 VanDerWaalsContact CE1-CE 3.44Å; Y20-K84 HydrophobicContact CE1-CG 4.27Å; Y20-K84 HydrophobicContact CG-CD 4.41Å; Y20-K84 HydrophobicContact CG-CG 4.17Å; Y20-K84 VanDerWaalsContact CZ-NZ 3.3Å; F22-K84 HydrophobicContact CD1-CB 4.25Å; F22-K84 HydrophobicContact CD1-CG 4Å; F22-K84 HydrophobicContact CE1-CB 4.33Å; F22-K84 HydrophobicContact CE1-CD 3.89Å; F22-K84 HydrophobicContact CE1-CG 3.65Å; S72-K84 CarbonylContact C-O 3.42Å; S72-K84 WeakPolarHBondContact CA-O 3.29Å; R73-K84 HydrophobicContact CG-CB 4.19Å; R73-K84 PolarHBondContact N-O 3.24Å; R73-K84 PolarHBondContact O-N 2.91Å
85	L	94.7	Very high	89.1	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	128.1	-178.6	-58.3	172.9	0	0	0	109.5	Y20 V21 L23 I37 F42 Y63 I67 S72 V83	Y20-L85 CarbonylContact C-O 3.56Å; Y20-L85 WeakPolarHBondContact CA-O 3.46Å; Y20-L85 WeakPolarHBondContact CD1-O 3.15Å; V21-L85 HydrophobicContact CB-CB 4.33Å; V21-L85 PolarHBondContact N-O 2.95Å; V21-L85 PolarHBondContact O-N 3.45Å; L23-L85 HydrophobicContact CD1-CD1 3.92Å; L23-L85 HydrophobicContact CG-CD1 4.41Å; I37-L85 HydrophobicContact CD1-CD2 4.19Å; I37-L85 HydrophobicContact CG1-CD2 4.32Å; I37-L85 HydrophobicContact CG2-CD2 3.8Å; F42-L85 HydrophobicContact CD2-CD2 4.46Å; Y63-L85 HydrophobicContact CD1-CD1 4.41Å; Y63-L85 HydrophobicContact CE1-CD1 3.49Å; Y63-L85 VanDerWaalsContact CE1-CD1 3.49Å; I67-L85 HydrophobicContact CG2-CB 4.37Å; S72-L85 WeakPolarHBondContact OG-CA 3.34Å; V83-L85 HydrophobicContact CG1-CD2 3.67Å; V83-L85 HydrophobicContact CG1-CG 3.96Å
86	R	95.2	Very high	88.8	Confident	21 Å²	21	35.5 Å²	35.5	8%	0.079	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	119.5	178.3	177.7	71.9	-180	88.2	17.8	109.8	E19 Y20 I67 I68 E71 S72	E19-R86 PolarHBondContact O-NH1 2.93Å; Y20-R86 HydrophobicContact CD1-CB 4.11Å; Y20-R86 HydrophobicContact CE1-CB 3.91Å; Y20-R86 HydrophobicContact CE1-CG 4.23Å; I67-R86 CarbonylContact C-O 3.52Å; I67-R86 WeakPolarHBondContact CA-O 3.45Å; I67-R86 WeakPolarHBondContact CB-O 3.02Å; I68-R86 HydrophobicContact CB-CB 4.27Å; I68-R86 HydrophobicContact CB-CG 4.07Å; I68-R86 HydrophobicContact CD1-CG 4.07Å; I68-R86 HydrophobicContact CG1-CG 4.36Å; I68-R86 PolarHBondContact N-O 3.35Å; E71-R86 HydrophobicContact CB-CB 3.76Å; E71-R86 HydrophobicContact CB-CG 3.81Å; E71-R86 WeakPolarHBondContact OE2-CD 3.18Å; E71-R86 WeakPolarHBondContact OE2-CG 3.35Å; E71-R86 IonicContact OE2-NE 2.65Å; E71-R86 PolarHBondContact OE2-NE 3.48Å; S72-R86 PolarHBondContact OG-N 2.94Å
87	K	94.2	Very high	88.7	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	143	177.4	-59.4	170.2	173.1	177.2	0	111.1	S17 E18 E19 V21 L89 D91 W93	S17-K87 PolarHBondContact O-NZ 2.83Å; E18-K87 WeakPolarHBondContact O-CD 3.48Å; E19-K87 PolarHBondContact O-N 3.41Å; V21-K87 HydrophobicContact CG2-CD 4.29Å; V21-K87 HydrophobicContact CG2-CG 3.99Å; K87-L89 WeakPolarHBondContact CB-O 3.36Å; K87-D91 PolarHBondContact NZ-O 2.9Å; K87-W93 HydrophobicContact CG-CZ2 4.04Å
88	E	92.6	Very high	88.4	Confident	9 Å²	9	34.8 Å²	34.8	4%	0.042	19%	0.191	C	C	.	.	S	Bend	trans	-74.5	-40.2	170	-164.7	175.6	156.7	0	0	110.8	Q39 P66 I68 K137 R140 N144	Q39-E88 PolarHBondContact NE2-OE2 2.75Å; P66-E88 HydrophobicContact CB-CB 4.16Å; P66-E88 WeakPolarHBondContact CB-OE2 3.17Å; P66-E88 VanDerWaalsContact O-CB 3.31Å; P66-E88 WeakPolarHBondContact O-CB 3.15Å; P66-E88 PolarHBondContact O-N 2.76Å; I68-E88 HydrophobicContact CG1-CB 4.27Å; I68-E88 HydrophobicContact CG1-CG 4.41Å; E88-K137 WeakPolarHBondContact OE1-CD 3.16Å; E88-K137 WeakPolarHBondContact OE1-CE 3.43Å; E88-K137 VanDerWaalsContact OE1-CG 3.28Å; E88-K137 WeakPolarHBondContact OE1-CG 3.37Å; E88-R140 IonicContact OE1-CZ 2.69Å; E88-R140 IonicContact OE1-NE 3.72Å; E88-R140 IonicContact OE1-NH2 2.76Å; E88-R140 PolarHBondContact OE1-NH2 2.81Å; E88-R140 IonicContact OE2-CZ 3.85Å; E88-R140 IonicContact OE2-NH2 3.1Å; E88-R140 PolarHBondContact OE2-NH2 2.88Å; E88-R140 VanDerWaalsContact OE2-NH2 3.1Å; E88-N144 PolarHBondContact O-ND2 2.83Å
89	L	90.9	Very high	88.1	Confident	11 Å²	11	33 Å²	33	6%	0.058	19%	0.185	C	C	.	.	S	Bend	trans	-96.2	122.2	168.4	-175.4	63.8	0	0	0	110.2	L65 K87 D91 P135 R140 H143	L65-L89 HydrophobicContact CD1-CB 4.45Å; L65-L89 HydrophobicContact CD1-CD2 3.95Å; K87-L89 WeakPolarHBondContact CB-O 3.36Å; L89-D91 VanDerWaalsContact C-N 3.27Å; L89-D91 HydrophobicContact CD2-CB 4.02Å; L89-D91 HydrophobicContact CG-CB 3.87Å; L89-D91 PolarHBondContact O-N 2.98Å; L89-P135 HydrophobicContact CD2-CG 4.28Å; L89-R140 HydrophobicContact CB-CB 4.33Å; L89-R140 HydrophobicContact CB-CG 4.05Å; L89-R140 HydrophobicContact CD1-CB 3.97Å; L89-R140 HydrophobicContact CD1-CG 4.1Å; L89-R140 HydrophobicContact CD2-CG 4.41Å; L89-R140 HydrophobicContact CG-CG 4.44Å; L89-H143 HydrophobicContact CD1-CB 3.92Å; L89-H143 WeakPolarHBondContact CD1-CD2 3.38Å
90	K	87.5	Confident	87.3	Confident	53 Å²	53	31.2 Å²	31.2	23%	0.23	18%	0.177	C	C	.	.			trans	-78	77.4	173.9	-62.8	-174.8	-178.2	-164.7	0	110	E18 E19 N144	E18-K90 CarbonylContact O-C 3.59Å; E18-K90 WeakPolarHBondContact O-CA 3.46Å; E19-K90 HydrophobicContact CG-CD 4.04Å; E19-K90 HydrophobicContact CG-CG 4.22Å; E19-K90 VanDerWaalsContact OE1-CE 3.24Å; E19-K90 WeakPolarHBondContact OE1-CE 3.38Å; E19-K90 IonicContact OE1-NZ 3.53Å; E19-K90 PolarHBondContact OE1-NZ 2.98Å; K90-N144 WeakPolarHBondContact CB-OD1 3.37Å; K90-N144 PolarHBondContact N-OD1 3.28Å
91	D	84.8	Confident	86.5	Confident	71 Å²	71	37.7 Å²	37.7	38%	0.38	21%	0.206	S	C	.	.	S	Bend	trans	-149.2	161.7	179	-166.7	12.3	0	0	0	110.6	E18 K87 L89	E18-D91 PolarHBondContact O-N 3.38Å; K87-D91 PolarHBondContact NZ-O 2.9Å; L89-D91 VanDerWaalsContact C-N 3.27Å; L89-D91 HydrophobicContact CD2-CB 4.02Å; L89-D91 HydrophobicContact CG-CB 3.87Å; L89-D91 PolarHBondContact O-N 2.98Å
92	S	85.1	Confident	85.6	Confident	28 Å²	28	48.8 Å²	48.8	20%	0.196	25%	0.248	C	C	.	.			trans	-67.4	131.5	176.1	-168.6	0	0	0	0	110.7	Q16	Q16-S92 PolarHBondContact NE2-OG 2.96Å
93	W	86.8	Confident	85.3	Confident	3 Å²	3	48.6 Å²	48.6	1%	0.011	25%	0.246	C	C	.	.			trans	-88.4	121.4	174.4	-73.7	18.5	0	0	0	109.2	Q16 V21 Y63 Y64 L65 I67 K87 R95 L96	Q16-W93 PolarHBondContact NE2-O 2.77Å; V21-W93 HydrophobicContact CG2-CD2 3.81Å; V21-W93 HydrophobicContact CG2-CE3 3.74Å; V21-W93 HydrophobicContact CG2-CG 4.49Å; V21-W93 HydrophobicContact CG2-CH2 3.97Å; V21-W93 HydrophobicContact CG2-CZ2 4.06Å; V21-W93 HydrophobicContact CG2-CZ3 3.83Å; Y63-W93 HydrophobicContact CD1-CH2 4.3Å; Y63-W93 HydrophobicContact CD1-CZ3 4.44Å; Y63-W93 HydrophobicContact CG-CH2 4.18Å; Y64-W93 HydrophobicContact CD1-CB 3.98Å; Y64-W93 HydrophobicContact CD1-CD2 4.03Å; Y64-W93 HydrophobicContact CD1-CE3 4.46Å; Y64-W93 AromaticContact CD1-CG 3.8Å; Y64-W93 HydrophobicContact CD1-CG 3.8Å; L65-W93 HydrophobicContact CB-CZ2 3.89Å; L65-W93 WeakPolarHBondContact O-CH2 3.34Å; L65-W93 WeakPolarHBondContact O-CZ2 3.28Å; I67-W93 HydrophobicContact CG2-CH2 3.79Å; I67-W93 HydrophobicContact CG2-CZ2 3.94Å; K87-W93 HydrophobicContact CG-CZ2 4.04Å; W93-R95 PolarHBondContact O-N 3.34Å; W93-L96 HydrophobicContact CZ3-CD1 4.25Å
94	S	82	Confident	84.8	Confident	88 Å²	88	53.9 Å²	53.9	62%	0.615	28%	0.281	S	S	*	.	S	Bend	trans	-64.9	-25.4	173	57.7	0	0	0	0	112.8	Y64	Y64-S94 PolarHBondContact OH-OG 3.45Å
95	R	84.2	Confident	84.5	Confident	44 Å²	44	53.4 Å²	53.4	17%	0.166	28%	0.278	C	S	.	.			trans	-154	162.5	178.7	58.9	179.4	-176.1	-101.7	1.5	111.4	Y64 W93 T97 L98 V132	Y64-R95 WeakPolarHBondContact CB-O 3.23Å; Y64-R95 HydrophobicContact CD2-CG 3.55Å; Y64-R95 HydrophobicContact CE2-CG 4.04Å; Y64-R95 HydrophobicContact CG-CG 4.03Å; W93-R95 PolarHBondContact O-N 3.34Å; R95-T97 VanDerWaalsContact CD-O 3.3Å; R95-T97 WeakPolarHBondContact CD-O 3.43Å; R95-T97 WeakPolarHBondContact CG-O 3.21Å; R95-T97 PolarHBondContact NE-O 2.93Å; R95-T97 VanDerWaalsContact NE-O 3.09Å; R95-L98 PolarHBondContact NE-O 2.97Å; R95-L98 PolarHBondContact NH2-O 2.8Å; R95-V132 VanDerWaalsContact NH2-CG2 3.35Å
96	L	85.6	Confident	84.2	Confident	7 Å²	7	54.4 Å²	54.4	4%	0.037	28%	0.284	C	S	.	.	S	Bend	trans	-78.9	-36.4	178	-178.6	63.6	0	0	0	113	W14 V21 L23 I61 Y64 W93 V106	W14-L96 HydrophobicContact CB-CD2 4.03Å; W14-L96 HydrophobicContact CD2-CB 3.95Å; W14-L96 HydrophobicContact CD2-CD1 4.42Å; W14-L96 HydrophobicContact CD2-CD2 4.36Å; W14-L96 HydrophobicContact CD2-CG 4.47Å; W14-L96 HydrophobicContact CE3-CB 4.02Å; W14-L96 HydrophobicContact CE3-CD1 4.03Å; W14-L96 HydrophobicContact CE3-CG 4.48Å; W14-L96 HydrophobicContact CG-CB 4.44Å; W14-L96 HydrophobicContact CG-CD2 4.03Å; W14-L96 HydrophobicContact CH2-CB 4.34Å; W14-L96 HydrophobicContact CZ2-CB 4.33Å; W14-L96 HydrophobicContact CZ3-CB 4.21Å; V21-L96 HydrophobicContact CG1-CD1 3.75Å; L23-L96 HydrophobicContact CD2-CD1 3.99Å; L23-L96 HydrophobicContact CD2-CD2 3.89Å; I61-L96 HydrophobicContact CD1-CD2 3.84Å; I61-L96 HydrophobicContact CG2-CG 4.34Å; Y64-L96 PolarHBondContact N-O 2.91Å; W93-L96 HydrophobicContact CZ3-CD1 4.25Å; L96-V106 HydrophobicContact CD2-CG1 3.91Å
97	T	86.2	Confident	83.8	Confident	21 Å²	21	59.6 Å²	59.6	13%	0.129	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-99.5	149.2	-169.7	49.1	0	0	0	0	112.4	I61 S62 R95 G99 L103	I61-T97 HydrophobicContact CG2-CG2 3.89Å; S62-T97 CarbonylContact O-C 3.58Å; S62-T97 VanDerWaalsContact O-CA 3.29Å; S62-T97 WeakPolarHBondContact O-CA 3.42Å; R95-T97 VanDerWaalsContact CD-O 3.3Å; R95-T97 WeakPolarHBondContact CD-O 3.43Å; R95-T97 WeakPolarHBondContact CG-O 3.21Å; R95-T97 PolarHBondContact NE-O 2.93Å; R95-T97 VanDerWaalsContact NE-O 3.09Å; T97-G99 PolarHBondContact O-N 2.88Å; T97-G99 PolarHBondContact OG1-O 2.88Å; T97-L103 HydrophobicContact CG2-CD1 3.56Å; T97-L103 HydrophobicContact CG2-CG 4.23Å
98	L	82.1	Confident	83.1	Confident	82 Å²	82	62.1 Å²	62.1	43%	0.429	32%	0.321	S	S	.	.	S	Bend	trans	-51.7	-55.6	173.9	-173.3	64.6	0	0	0	111.6	S62 Y63 R95 H134	S62-L98 PolarHBondContact O-N 3.44Å; Y63-L98 WeakPolarHBondContact O-CA 3.46Å; Y63-L98 WeakPolarHBondContact O-CB 3.45Å; Y63-L98 PolarHBondContact O-N 3.4Å; R95-L98 PolarHBondContact NE-O 2.97Å; R95-L98 PolarHBondContact NH2-O 2.8Å; L98-H134 VanDerWaalsContact CD1-CE1 3.49Å; L98-H134 WeakPolarHBondContact CD1-CE1 3.34Å; L98-H134 VanDerWaalsContact CD1-NE2 3.26Å; L98-H134 WeakPolarHBondContact CD1-NE2 3.24Å
99	G	75.6	Confident	82.4	Confident	41 Å²	41	62.8 Å²	62.8	42%	0.423	33%	0.325	S	S	.	.	S	Bend	trans	-79.8	160.7	175	0	0	0	0	0	113.1	T97 Q101	T97-G99 PolarHBondContact O-N 2.88Å; T97-G99 PolarHBondContact OG1-O 2.88Å; G99-Q101 PolarHBondContact O-N 3.07Å
100	N	68.1	Low	81	Confident	87 Å²	87	69.3 Å²	69.3	47%	0.465	35%	0.353	S	S	.	.	S	Bend	trans	-76.7	27.2	175.9	-157.4	10.6	0	0	0	113.3
101	Q	71.3	Confident	80	Confident	143 Å²	143	74.3 Å²	74.3	67%	0.668	38%	0.383	S	S	*	.			trans	-85.3	115.3	-178	-175	178.4	14.9	0	0	110	G99 L103	G99-Q101 PolarHBondContact O-N 3.07Å; Q101-L103 PolarHBondContact O-N 3.43Å
102	R	72.4	Confident	78.9	Confident	234 Å²	234	74.8 Å²	74.8	88%	0.883	38%	0.379	S	S	*	.			trans	-73.3	111.6	172	-169.2	178	-177.8	178.7	4.2	110.3	P104	R102-P104 WeakPolarHBondContact O-CD 3.44Å
103	L	84.3	Confident	77.6	Confident	30 Å²	30	75.5 Å²	75.5	16%	0.157	38%	0.378	C	S	.	.			trans	-79.3	117.3	176.3	-64.3	172.4	0	0	0	110	I61 T97 Q101 W105 V106	I61-L103 HydrophobicContact CD1-CD1 4.34Å; I61-L103 HydrophobicContact CG1-CD1 4.12Å; T97-L103 HydrophobicContact CG2-CD1 3.56Å; T97-L103 HydrophobicContact CG2-CG 4.23Å; Q101-L103 PolarHBondContact O-N 3.43Å; L103-W105 HydrophobicContact CB-CD2 4.49Å; L103-W105 HydrophobicContact CB-CZ2 4.3Å; L103-W105 HydrophobicContact CD1-CH2 3.88Å; L103-W105 HydrophobicContact CD1-CZ2 3.7Å; L103-W105 HydrophobicContact CD2-CZ2 4.1Å; L103-W105 HydrophobicContact CG-CZ2 4.26Å; L103-W105 PolarHBondContact O-N 3.17Å; L103-W105 VanDerWaalsContact O-N 3.14Å; L103-V106 HydrophobicContact CB-CB 3.98Å; L103-V106 HydrophobicContact CB-CG2 3.63Å; L103-V106 HydrophobicContact CD1-CG2 3.84Å; L103-V106 HydrophobicContact CG-CG2 4.41Å; L103-V106 PolarHBondContact O-N 2.73Å
104	P	83.1	Confident	76.1	Confident	114 Å²	114	80.7 Å²	80.7	74%	0.74	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-24.5	-173.6	-24	33.9	0	0	0	114.8	R102	R102-P104 WeakPolarHBondContact O-CD 3.44Å
105	W	88.3	Confident	74.7	Confident	34 Å²	34	82.8 Å²	82.8	13%	0.129	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-4.8	179.6	49.9	-95.1	0	0	0	113	H9 I11 V12 F59 I61 L103	H9-W105 HydrophobicContact CB-CB 4.01Å; H9-W105 HydrophobicContact CB-CD2 3.74Å; H9-W105 HydrophobicContact CB-CE3 4.42Å; H9-W105 HydrophobicContact CB-CG 3.49Å; H9-W105 VanDerWaalsContact CB-CG 3.49Å; H9-W105 AromaticContact CD2-CD1 3.61Å; H9-W105 AromaticContact CD2-NE1 3.37Å; H9-W105 PolarHBondContact CD2-NE1 3.24Å; H9-W105 AromaticContact CG-CD1 3.72Å; H9-W105 AromaticContact CG-CE2 3.82Å; H9-W105 AromaticContact CG-NE1 3.52Å; H9-W105 AromaticContact NE2-NE1 3.97Å; I11-W105 WeakPolarHBondContact CA-O 3.49Å; V12-W105 HydrophobicContact CB-CE3 4.26Å; V12-W105 HydrophobicContact CB-CZ3 4.26Å; V12-W105 HydrophobicContact CG2-CE3 3.87Å; V12-W105 HydrophobicContact CG2-CZ3 3.79Å; V12-W105 PolarHBondContact N-O 3.11Å; F59-W105 HydrophobicContact CB-CH2 3.68Å; F59-W105 HydrophobicContact CB-CZ2 4.03Å; F59-W105 HydrophobicContact CB-CZ3 4.15Å; F59-W105 HydrophobicContact CD1-CZ3 4.28Å; F59-W105 AromaticContact CD2-CH2 3.37Å; F59-W105 HydrophobicContact CD2-CH2 3.37Å; F59-W105 HydrophobicContact CD2-CZ2 4.45Å; F59-W105 AromaticContact CD2-CZ3 3.63Å; F59-W105 HydrophobicContact CD2-CZ3 3.63Å; F59-W105 HydrophobicContact CE2-CH2 4.06Å; F59-W105 AromaticContact CE2-CZ3 3.95Å; F59-W105 HydrophobicContact CE2-CZ3 3.95Å; F59-W105 AromaticContact CG-CH2 3.64Å; F59-W105 HydrophobicContact CG-CH2 3.64Å; F59-W105 HydrophobicContact CG-CZ2 4.48Å; F59-W105 AromaticContact CG-CZ3 3.77Å; F59-W105 HydrophobicContact CG-CZ3 3.77Å; F59-W105 HydrophobicContact CZ-CZ3 4.42Å; I61-W105 HydrophobicContact CD1-CH2 3.75Å; I61-W105 HydrophobicContact CD1-CZ3 4.05Å; I61-W105 HydrophobicContact CG1-CH2 3.78Å; L103-W105 HydrophobicContact CB-CD2 4.49Å; L103-W105 HydrophobicContact CB-CZ2 4.3Å; L103-W105 HydrophobicContact CD1-CH2 3.88Å; L103-W105 HydrophobicContact CD1-CZ2 3.7Å; L103-W105 HydrophobicContact CD2-CZ2 4.1Å; L103-W105 HydrophobicContact CG-CZ2 4.26Å; L103-W105 PolarHBondContact O-N 3.17Å; L103-W105 VanDerWaalsContact O-N 3.14Å
106	V	87.9	Confident	73.1	Confident	22 Å²	22	83.1 Å²	83.1	13%	0.133	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	131.8	173.7	179.6	0	0	0	0	109.7	V12 W14 I61 L96 L103	V12-V106 HydrophobicContact CB-CG2 4.49Å; V12-V106 CarbonylContact O-C 3.54Å; V12-V106 WeakPolarHBondContact O-CA 3.42Å; W14-V106 HydrophobicContact CB-CG1 4.49Å; W14-V106 HydrophobicContact CG-CG1 4.1Å; I61-V106 HydrophobicContact CD1-CG2 4.44Å; L96-V106 HydrophobicContact CD2-CG1 3.91Å; L103-V106 HydrophobicContact CB-CB 3.98Å; L103-V106 HydrophobicContact CB-CG2 3.63Å; L103-V106 HydrophobicContact CD1-CG2 3.84Å; L103-V106 HydrophobicContact CG-CG2 4.41Å; L103-V106 PolarHBondContact O-N 2.73Å
107	R	86	Confident	71.4	Confident	130 Å²	130	90.1 Å²	90.1	49%	0.491	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	146.8	178.9	-60.6	-174.2	-175.7	-167.9	0.1	110.6	V12 Y13 W14	V12-R107 PolarHBondContact O-N 2.76Å; Y13-R107 CarbonylContact C-O 3.55Å; Y13-R107 VanDerWaalsContact CA-O 3.25Å; Y13-R107 WeakPolarHBondContact CA-O 3.33Å; Y13-R107 HydrophobicContact CD1-CB 3.95Å; Y13-R107 HydrophobicContact CE1-CB 3.94Å; W14-R107 PolarHBondContact N-O 2.83Å
108	S	81.3	Confident	69.6	Low	52 Å²	52	93.2 Å²	93.2	36%	0.364	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	137.6	174.2	-53.6	0	0	0	0	111	W14	W14-S108 CarbonylContact O-C 3.53Å; W14-S108 WeakPolarHBondContact O-CA 3.48Å
109	D	77.5	Confident	68.1	Low	24 Å²	24	91.9 Å²	91.9	13%	0.128	46%	0.459	C	S	.	.			trans	-101.1	90.6	174.9	-163.3	-5.4	0	0	0	108.8	W14 D111 R112	W14-D109 WeakPolarHBondContact O-CB 3.47Å; W14-D109 PolarHBondContact O-N 2.98Å; D109-D111 PolarHBondContact O-N 3.48Å; D109-R112 HydrophobicContact CB-CB 4.49Å; D109-R112 PolarHBondContact O-N 2.9Å; D109-R112 VanDerWaalsContact O-N 3.11Å; D109-R112 WeakPolarHBondContact OD2-CD 3.5Å; D109-R112 IonicContact OD2-NE 3.57Å; D109-R112 PolarHBondContact OD2-NE 2.91Å; D109-R112 VanDerWaalsContact OD2-NE 3.1Å
110	F	60.5	Low	66.9	Low	147 Å²	147	97 Å²	97	65%	0.645	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-62.5	-26.5	-176.1	-67.7	-80	0	0	0	113.1	R112 Y113 F115	F110-R112 PolarHBondContact O-N 2.82Å; F110-R112 VanDerWaalsContact O-N 3.17Å; F110-Y113 PolarHBondContact O-N 3.18Å; F110-F115 HydrophobicContact CD1-CZ 4.32Å
111	D	66.1	Low	66	Low	158 Å²	158	100.9 Å²	100.9	85%	0.845	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-66.6	-16.4	178	-67.5	-19.7	0	0	0	112.7	D109	D109-D111 PolarHBondContact O-N 3.48Å
112	R	61.7	Low	64.7	Low	81 Å²	81	100.6 Å²	100.6	31%	0.306	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-114.3	-0.9	-176.3	-61.5	-169.7	-167.4	-152	2.2	114.3	Q16 N82 D109 F110	Q16-R112 CarbonylContact C-O 3.58Å; N82-R112 PolarHBondContact OD1-NH2 2.89Å; D109-R112 HydrophobicContact CB-CB 4.49Å; D109-R112 PolarHBondContact O-N 2.9Å; D109-R112 VanDerWaalsContact O-N 3.11Å; D109-R112 WeakPolarHBondContact OD2-CD 3.5Å; D109-R112 IonicContact OD2-NE 3.57Å; D109-R112 PolarHBondContact OD2-NE 2.91Å; D109-R112 VanDerWaalsContact OD2-NE 3.1Å; F110-R112 PolarHBondContact O-N 2.82Å; F110-R112 VanDerWaalsContact O-N 3.17Å
113	Y	58.6	Low	63.2	Low	44 Å²	44	97 Å²	97	17%	0.173	49%	0.492	C	S	.	.			trans	-81.1	122.7	177	-103	-100.4	0	0	0	110.1	W14 Q16 F110	W14-Y113 WeakPolarHBondContact CH2-OH 3.39Å; W14-Y113 WeakPolarHBondContact CZ2-OH 3.38Å; W14-Y113 WeakPolarHBondContact CZ3-OH 3.39Å; Q16-Y113 HydrophobicContact CG-CD1 4.15Å; Q16-Y113 HydrophobicContact CG-CE1 3.83Å; Q16-Y113 HydrophobicContact CG-CE2 4.48Å; Q16-Y113 PolarHBondContact NE2-OH 3.05Å; F110-Y113 PolarHBondContact O-N 3.18Å
114	Q	56	Low	61.5	Low	112 Å²	112	104.9 Å²	104.9	52%	0.523	53%	0.529	S	S	.	.			trans	-85.2	109.4	157.7	-73.7	176.6	-23.4	0	0	106.6	Q16 S17 N116	Q16-Q114 PolarHBondContact O-N 2.99Å; S17-Q114 VanDerWaalsContact CB-OE1 3.32Å; Q114-N116 PolarHBondContact O-N 2.89Å
115	F	51.8	Low	59.8	Low	131 Å²	131	108.1 Å²	108.1	58%	0.575	53%	0.534	S	S	*	.			trans	-72.3	122.4	173.6	-65.2	-84.4	0	0	0	108.2	F110	F110-F115 HydrophobicContact CD1-CZ 4.32Å
116	N	49.9	Very low	57.7	Low	52 Å²	52	114 Å²	114	28%	0.278	56%	0.563	S	S	.	*			trans	-85.3	148.9	162.7	-74.6	-2.2	0	0	0	108.2	Q114 S118 D119	Q114-N116 PolarHBondContact O-N 2.89Å; N116-S118 PolarHBondContact O-N 2.9Å; N116-D119 PolarHBondContact O-N 3.21Å
117	D	50.9	Low	55.6	Low	153 Å²	153	118.7 Å²	118.7	82%	0.818	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-55.1	-24.9	-177.6	-77.8	-27.8	0	0	0	112.9	D119	D117-D119 VanDerWaalsContact C-N 3.31Å; D117-D119 PolarHBondContact O-N 3.4Å
118	S	49	Very low	53.8	Low	86 Å²	86	117.7 Å²	117.7	60%	0.601	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-71	-16.8	177.9	56.3	0	0	0	0	115.2	N116 L120	N116-S118 PolarHBondContact O-N 2.9Å; S118-L120 VanDerWaalsContact C-N 3.29Å; S118-L120 PolarHBondContact O-N 3.42Å
119	D	49.9	Very low	52.3	Low	55 Å²	55	121.9 Å²	121.9	29%	0.294	62%	0.617	S	S	.	*	G	3₁₀ helix	trans	-81.4	-10.2	-175.3	-67.8	-21.6	0	0	0	113	N116 D117 E121	N116-D119 PolarHBondContact O-N 3.21Å; D117-D119 VanDerWaalsContact C-N 3.31Å; D117-D119 PolarHBondContact O-N 3.4Å; D119-E121 VanDerWaalsContact C-N 3.27Å; D119-E121 PolarHBondContact O-N 3.07Å
120	L	49.7	Very low	51.1	Low	147 Å²	147	125.1 Å²	125.1	77%	0.77	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-74.1	-11.9	-178.3	-69.7	173.6	0	0	0	114.1	S118	S118-L120 VanDerWaalsContact C-N 3.29Å; S118-L120 PolarHBondContact O-N 3.42Å
121	E	49.4	Very low	50.9	Low	169 Å²	169	125 Å²	125	79%	0.79	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-100.4	-4.8	-172.3	-69.2	-166.7	166.7	0	0	115.6	D119 N123	D119-E121 VanDerWaalsContact C-N 3.27Å; D119-E121 PolarHBondContact O-N 3.07Å; E121-N123 PolarHBondContact O-N 3.24Å; E121-N123 VanDerWaalsContact O-N 3.08Å
122	N	44.2	Very low	50.4	Low	138 Å²	138	119.1 Å²	119.1	74%	0.738	61%	0.614	S	S	*	*			trans	-83.6	95.4	-179.7	-80.2	-30.9	0	0	0	112	E124	N122-E124 PolarHBondContact O-N 3.42Å
123	N	42.1	Very low	50.6	Low	157 Å²	157	121.4 Å²	121.4	84%	0.84	64%	0.636	S	S	*	*			trans	-53.4	127	164	-74.2	-46.5	0	0	0	110.3	E121 E125	E121-N123 PolarHBondContact O-N 3.24Å; E121-N123 VanDerWaalsContact O-N 3.08Å; N123-E125 PolarHBondContact O-N 3.33Å
124	E	47.9	Very low	51.2	Low	197 Å²	197	122.9 Å²	122.9	92%	0.921	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	3.6	-168	-64.4	-174.9	150	0	0	116.2	N122	N122-E124 PolarHBondContact O-N 3.42Å
125	E	46.5	Very low	52.3	Low	182 Å²	182	119.1 Å²	119.1	85%	0.85	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.9	-5.7	-162.2	-70.7	-164.3	157.7	0	0	117.6	N123	N123-E125 PolarHBondContact O-N 3.33Å
126	E	44	Very low	54	Low	157 Å²	157	115.5 Å²	115.5	73%	0.734	62%	0.621	S	S	*	*			trans	-109.1	94.8	176.8	-86.5	-173.6	170.8	0	0	112.5	L128	E126-L128 HydrophobicContact CB-CD1 4.46Å; E126-L128 HydrophobicContact CB-CG 4.22Å; E126-L128 PolarHBondContact O-N 3.48Å
127	C	45.2	Very low	55.7	Low	120 Å²	120	118.6 Å²	118.6	81%	0.811	63%	0.632	S	S	*	*			trans	-65.8	64.2	160.2	-70.2	0	0	0	0	110.2	N129	C127-N129 PolarHBondContact O-N 3.26Å
128	L	47.2	Very low	57.5	Low	109 Å²	109	119.1 Å²	119.1	57%	0.571	63%	0.629	S	S	*	*			trans	-66.3	125.7	169.4	-75.2	166.2	0	0	0	107.8	E126 V130	E126-L128 HydrophobicContact CB-CD1 4.46Å; E126-L128 HydrophobicContact CB-CG 4.22Å; E126-L128 PolarHBondContact O-N 3.48Å; L128-V130 HydrophobicContact CB-CG2 3.72Å; L128-V130 PolarHBondContact O-N 2.95Å
129	N	49.4	Very low	59.5	Low	140 Å²	140	120.4 Å²	120.4	75%	0.749	63%	0.626	S	S	*	*			trans	-73.9	65.8	171.6	-156.2	19.6	0	0	0	108.3	C127 N131	C127-N129 PolarHBondContact O-N 3.26Å; N129-N131 PolarHBondContact O-N 2.97Å
130	V	52.4	Low	61.2	Low	92 Å²	92	118.7 Å²	118.7	56%	0.558	62%	0.615	S	S	*	*			trans	-70.6	111.9	177	-176.6	0	0	0	0	106.4	L128 V132	L128-V130 HydrophobicContact CB-CG2 3.72Å; L128-V130 PolarHBondContact O-N 2.95Å; V130-V132 VanDerWaalsContact C-N 3.34Å; V130-V132 PolarHBondContact O-N 3Å
131	N	56.4	Low	63.1	Low	144 Å²	144	114.7 Å²	114.7	77%	0.77	59%	0.594	S	S	*	*			trans	-60.4	102.7	165.8	-88.1	-21.5	0	0	0	107.1	N129 V133	N129-N131 PolarHBondContact O-N 2.97Å; N131-V133 PolarHBondContact O-N 2.95Å; N131-V133 VanDerWaalsContact O-N 3.16Å
132	V	56.6	Low	65.2	Low	36 Å²	36	112.5 Å²	112.5	22%	0.218	58%	0.582	C	S	.	*			trans	-72.6	110.9	175.1	176.5	0	0	0	0	106.6	Y64 R95 V130 H134	Y64-V132 HydrophobicContact CE2-CB 4.27Å; Y64-V132 HydrophobicContact CE2-CG1 3.74Å; Y64-V132 HydrophobicContact CE2-CG2 4.02Å; Y64-V132 WeakPolarHBondContact OH-CG1 3.41Å; R95-V132 VanDerWaalsContact NH2-CG2 3.35Å; V130-V132 VanDerWaalsContact C-N 3.34Å; V130-V132 PolarHBondContact O-N 3Å; V132-H134 PolarHBondContact O-N 2.99Å
133	V	66.3	Low	67.3	Low	128 Å²	128	108.6 Å²	108.6	78%	0.776	56%	0.559	S	S	*	*			trans	-69.9	109.3	168.3	-179.5	0	0	0	0	106	N131 P135	N131-V133 PolarHBondContact O-N 2.95Å; N131-V133 VanDerWaalsContact O-N 3.16Å; V133-P135 VanDerWaalsContact O-CD 3.3Å; V133-P135 WeakPolarHBondContact O-CD 3.41Å
134	H	70.6	Confident	69.6	Low	75 Å²	75	102.3 Å²	102.3	35%	0.347	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-71.7	116.8	174.3	-70.4	-72.4	0	0	0	108.3	Y64 L65 L98 V132 S136	Y64-H134 PolarHBondContact O-CE1 2.77Å; Y64-H134 PolarHBondContact O-ND1 3.26Å; L65-H134 WeakPolarHBondContact CD2-ND1 3.37Å; L98-H134 VanDerWaalsContact CD1-CE1 3.49Å; L98-H134 WeakPolarHBondContact CD1-CE1 3.34Å; L98-H134 VanDerWaalsContact CD1-NE2 3.26Å; L98-H134 WeakPolarHBondContact CD1-NE2 3.24Å; V132-H134 PolarHBondContact O-N 2.99Å; H134-S136 PolarHBondContact O-N 2.91Å
135	P	79.5	Confident	71.8	Confident	34 Å²	34	98.7 Å²	98.7	22%	0.221	51%	0.509	C	S	.	.	P	Polyproline II helix	trans	-59.9	140	176	24.4	-32.3	0	0	0	109.1	L89 V133 E139 R140	L89-P135 HydrophobicContact CD2-CG 4.28Å; V133-P135 VanDerWaalsContact O-CD 3.3Å; V133-P135 WeakPolarHBondContact O-CD 3.41Å; P135-E139 WeakPolarHBondContact CA-OE2 3.4Å; P135-E139 HydrophobicContact CB-CB 4Å; P135-R140 HydrophobicContact CB-CG 4Å; P135-R140 HydrophobicContact CG-CG 3.73Å; P135-R140 PolarHBondContact O-NH1 2.92Å
136	S	86.6	Confident	74	Confident	54 Å²	54	94.6 Å²	94.6	38%	0.378	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-59.3	161.8	171.6	65	0	0	0	0	110.8	H134 E138 E139 R140	H134-S136 PolarHBondContact O-N 2.91Å; S136-E138 VanDerWaalsContact C-N 3.27Å; S136-E138 PolarHBondContact O-N 2.73Å; S136-E139 WeakPolarHBondContact CB-OE2 3.3Å; S136-E139 PolarHBondContact N-OE2 2.9Å; S136-E139 PolarHBondContact O-N 3.34Å; S136-E139 VanDerWaalsContact OG-CD 3.28Å; S136-E139 VanDerWaalsContact OG-CG 3.26Å; S136-E139 WeakPolarHBondContact OG-CG 3.44Å; S136-E139 PolarHBondContact OG-N 3.11Å; S136-E139 PolarHBondContact OG-OE2 3.22Å; S136-R140 WeakPolarHBondContact O-CG 3.45Å; S136-R140 PolarHBondContact O-N 3.47Å
137	K	86.3	Confident	76.1	Confident	118 Å²	118	90.9 Å²	90.9	51%	0.513	47%	0.473	S	S	.	.	H	α-helix	trans	-55.6	-43.8	177.6	179.2	164.4	-174	179.6	0	112.3	E88 E139 R140 D141	E88-K137 WeakPolarHBondContact OE1-CD 3.16Å; E88-K137 WeakPolarHBondContact OE1-CE 3.43Å; E88-K137 VanDerWaalsContact OE1-CG 3.28Å; E88-K137 WeakPolarHBondContact OE1-CG 3.37Å; K137-E139 PolarHBondContact O-N 3.38Å; K137-R140 PolarHBondContact O-N 3.22Å; K137-D141 PolarHBondContact O-N 3.22Å
138	E	89	Confident	78.3	Confident	164 Å²	164	89 Å²	89	77%	0.766	45%	0.453	S	S	*	.	H	α-helix	trans	-61.9	-41.9	178.1	-64.5	179.2	-178.8	0	0	112.3	S136 R140 K142	S136-E138 VanDerWaalsContact C-N 3.27Å; S136-E138 PolarHBondContact O-N 2.73Å; E138-R140 VanDerWaalsContact C-N 3.33Å; E138-R140 PolarHBondContact O-N 3.36Å; E138-K142 VanDerWaalsContact O-CB 3.26Å; E138-K142 WeakPolarHBondContact O-CB 3.48Å; E138-K142 PolarHBondContact O-N 3.45Å
139	E	89.7	Confident	80.5	Confident	113 Å²	113	90.1 Å²	90.1	53%	0.528	46%	0.456	S	S	.	.	H	α-helix	trans	-65	-37	175.9	-72.4	165.3	142.5	0	0	112.1	P135 S136 K137 H143	P135-E139 WeakPolarHBondContact CA-OE2 3.4Å; P135-E139 HydrophobicContact CB-CB 4Å; S136-E139 WeakPolarHBondContact CB-OE2 3.3Å; S136-E139 PolarHBondContact N-OE2 2.9Å; S136-E139 PolarHBondContact O-N 3.34Å; S136-E139 VanDerWaalsContact OG-CD 3.28Å; S136-E139 VanDerWaalsContact OG-CG 3.26Å; S136-E139 WeakPolarHBondContact OG-CG 3.44Å; S136-E139 PolarHBondContact OG-N 3.11Å; S136-E139 PolarHBondContact OG-OE2 3.22Å; K137-E139 PolarHBondContact O-N 3.38Å; E139-H143 WeakPolarHBondContact O-CB 3.22Å; E139-H143 PolarHBondContact O-N 3.1Å
140	R	86.1	Confident	82.7	Confident	19 Å²	19	88 Å²	88	7%	0.072	45%	0.445	C	S	.	.	H	α-helix	trans	-68.4	-46.5	177	-67.4	-174.5	-58.6	-109.1	13.9	112.3	E88 L89 P135 S136 K137 E138 K142 H143 N144	E88-R140 IonicContact OE1-CZ 2.69Å; E88-R140 IonicContact OE1-NE 3.72Å; E88-R140 IonicContact OE1-NH2 2.76Å; E88-R140 PolarHBondContact OE1-NH2 2.81Å; E88-R140 IonicContact OE2-CZ 3.85Å; E88-R140 IonicContact OE2-NH2 3.1Å; E88-R140 PolarHBondContact OE2-NH2 2.88Å; E88-R140 VanDerWaalsContact OE2-NH2 3.1Å; L89-R140 HydrophobicContact CB-CB 4.33Å; L89-R140 HydrophobicContact CB-CG 4.05Å; L89-R140 HydrophobicContact CD1-CB 3.97Å; L89-R140 HydrophobicContact CD1-CG 4.1Å; L89-R140 HydrophobicContact CD2-CG 4.41Å; L89-R140 HydrophobicContact CG-CG 4.44Å; P135-R140 HydrophobicContact CB-CG 4Å; P135-R140 HydrophobicContact CG-CG 3.73Å; P135-R140 PolarHBondContact O-NH1 2.92Å; S136-R140 WeakPolarHBondContact O-CG 3.45Å; S136-R140 PolarHBondContact O-N 3.47Å; K137-R140 PolarHBondContact O-N 3.22Å; E138-R140 VanDerWaalsContact C-N 3.33Å; E138-R140 PolarHBondContact O-N 3.36Å; R140-K142 VanDerWaalsContact C-N 3.3Å; R140-K142 PolarHBondContact O-N 2.76Å; R140-H143 PolarHBondContact O-N 2.87Å; R140-N144 VanDerWaalsContact O-CG 3.27Å; R140-N144 PolarHBondContact O-N 3.15Å; R140-N144 PolarHBondContact O-ND2 2.87Å
141	D	90.1	Very high	84.5	Confident	62 Å²	62	86.8 Å²	86.8	33%	0.332	44%	0.435	S	S	.	.	H	α-helix	trans	-61.3	-44.3	178.6	-69.2	-22	0	0	0	109.7	K137 H143 N144 E145	K137-D141 PolarHBondContact O-N 3.22Å; D141-H143 PolarHBondContact O-N 2.9Å; D141-N144 PolarHBondContact O-N 3.26Å; D141-E145 WeakPolarHBondContact O-CG 3.28Å; D141-E145 PolarHBondContact O-N 3.22Å
142	K	92.5	Very high	86.3	Confident	124 Å²	124	84.1 Å²	84.1	54%	0.539	42%	0.42	S	S	.	.	H	α-helix	trans	-59.5	-45.2	174.1	-175.6	179	173.1	-172.6	0	112.6	E138 R140 E145 E146	E138-K142 VanDerWaalsContact O-CB 3.26Å; E138-K142 WeakPolarHBondContact O-CB 3.48Å; E138-K142 PolarHBondContact O-N 3.45Å; R140-K142 VanDerWaalsContact C-N 3.3Å; R140-K142 PolarHBondContact O-N 2.76Å; K142-E145 PolarHBondContact O-N 2.78Å; K142-E146 WeakPolarHBondContact CE-OE1 3.2Å; K142-E146 IonicContact NZ-OE1 3.92Å; K142-E146 WeakPolarHBondContact O-CG 3.45Å; K142-E146 PolarHBondContact O-N 2.93Å
143	H	89.1	Confident	88.2	Confident	55 Å²	55	84.7 Å²	84.7	26%	0.255	43%	0.429	S	S	.	.	H	α-helix	trans	-61.7	-44.8	176.6	177.2	87.6	0	0	0	112	L89 E139 R140 D141 E145 E146 Q147	L89-H143 HydrophobicContact CD1-CB 3.92Å; L89-H143 WeakPolarHBondContact CD1-CD2 3.38Å; E139-H143 WeakPolarHBondContact O-CB 3.22Å; E139-H143 PolarHBondContact O-N 3.1Å; R140-H143 PolarHBondContact O-N 2.87Å; D141-H143 PolarHBondContact O-N 2.9Å; H143-E145 VanDerWaalsContact C-N 3.31Å; H143-E145 PolarHBondContact O-N 2.86Å; H143-E146 PolarHBondContact O-N 2.91Å; H143-Q147 WeakPolarHBondContact O-CG 3.36Å; H143-Q147 PolarHBondContact O-N 3.4Å
144	N	91.1	Very high	89.5	Confident	25 Å²	25	84.9 Å²	84.9	13%	0.134	42%	0.421	C	S	.	.	H	α-helix	trans	-60.9	-40.2	177.5	-70.3	-26.4	0	0	0	112.1	E88 K90 R140 D141 M148	E88-N144 PolarHBondContact O-ND2 2.83Å; K90-N144 WeakPolarHBondContact CB-OD1 3.37Å; K90-N144 PolarHBondContact N-OD1 3.28Å; R140-N144 VanDerWaalsContact O-CG 3.27Å; R140-N144 PolarHBondContact O-N 3.15Å; R140-N144 PolarHBondContact O-ND2 2.87Å; D141-N144 PolarHBondContact O-N 3.26Å; N144-M148 WeakPolarHBondContact O-CB 3.23Å; N144-M148 PolarHBondContact O-N 3.21Å
145	E	93.5	Very high	90.5	Very high	122 Å²	122	87.3 Å²	87.3	57%	0.57	43%	0.433	S	S	*	.	H	α-helix	trans	-65.7	-45.5	175.8	-73.4	177.1	-179.7	0	0	111.7	D141 K142 H143 Q147 M148 M149	D141-E145 WeakPolarHBondContact O-CG 3.28Å; D141-E145 PolarHBondContact O-N 3.22Å; K142-E145 PolarHBondContact O-N 2.78Å; H143-E145 VanDerWaalsContact C-N 3.31Å; H143-E145 PolarHBondContact O-N 2.86Å; E145-Q147 PolarHBondContact O-N 3.19Å; E145-M148 PolarHBondContact O-N 2.76Å; E145-M149 WeakPolarHBondContact O-CG 3.4Å; E145-M149 PolarHBondContact O-N 2.94Å
146	E	93	Very high	91.3	Very high	96 Å²	96	93 Å²	93	45%	0.449	45%	0.45	S	S	.	.	H	α-helix	trans	-59.9	-45	176.4	-74.9	175.7	178.4	0	0	111.6	K142 H143 M149 L150	K142-E146 WeakPolarHBondContact CE-OE1 3.2Å; K142-E146 IonicContact NZ-OE1 3.92Å; K142-E146 WeakPolarHBondContact O-CG 3.45Å; K142-E146 PolarHBondContact O-N 2.93Å; H143-E146 PolarHBondContact O-N 2.91Å; E146-M149 PolarHBondContact O-N 2.78Å; E146-L150 WeakPolarHBondContact O-CG 3.49Å; E146-L150 PolarHBondContact O-N 3.34Å; E146-L150 VanDerWaalsContact O-N 3.07Å
147	Q	88.4	Confident	91.7	Very high	79 Å²	79	96.4 Å²	96.4	37%	0.369	46%	0.46	S	S	.	.	H	α-helix	trans	-62.4	-43.4	175.5	-71.3	-62.1	-55.1	0	0	112	H143 E145 M149 L150 I151	H143-Q147 WeakPolarHBondContact O-CG 3.36Å; H143-Q147 PolarHBondContact O-N 3.4Å; E145-Q147 PolarHBondContact O-N 3.19Å; Q147-M149 VanDerWaalsContact C-N 3.33Å; Q147-M149 PolarHBondContact O-N 2.9Å; Q147-L150 PolarHBondContact O-N 2.9Å; Q147-I151 WeakPolarHBondContact O-CG1 3.39Å; Q147-I151 PolarHBondContact O-N 3.33Å
148	M	90.1	Very high	92	Very high	80 Å²	80	93.6 Å²	93.6	39%	0.394	46%	0.458	S	S	.	.	H	α-helix	trans	-59.8	-44.1	176.5	-171.5	66.3	66.8	0	0	111.5	N144 E145 L150 I151 D152	N144-M148 WeakPolarHBondContact O-CB 3.23Å; N144-M148 PolarHBondContact O-N 3.21Å; E145-M148 PolarHBondContact O-N 2.76Å; M148-L150 VanDerWaalsContact C-N 3.32Å; M148-L150 PolarHBondContact O-N 3.21Å; M148-I151 PolarHBondContact O-N 3.01Å; M148-D152 WeakPolarHBondContact O-CB 3.43Å; M148-D152 VanDerWaalsContact O-CG 3.32Å; M148-D152 PolarHBondContact O-N 3.43Å
149	M	94.9	Very high	92.3	Very high	132 Å²	132	88.1 Å²	88.1	65%	0.65	43%	0.432	S	S	*	.	H	α-helix	trans	-63.3	-37	177.7	-71.1	-172.7	-174.2	0	0	112.8	E145 E146 Q147 A153	E145-M149 WeakPolarHBondContact O-CG 3.4Å; E145-M149 PolarHBondContact O-N 2.94Å; E146-M149 PolarHBondContact O-N 2.78Å; Q147-M149 VanDerWaalsContact C-N 3.33Å; Q147-M149 PolarHBondContact O-N 2.9Å; M149-A153 WeakPolarHBondContact O-CB 3.4Å; M149-A153 PolarHBondContact O-N 2.85Å
150	L	93.8	Very high	92.6	Very high	95 Å²	95	85 Å²	85	50%	0.497	42%	0.419	S	S	.	.	H	α-helix	trans	-66.4	-46.9	175.8	-69.9	172.7	0	0	0	111.3	E146 Q147 M148 D152 A153 E154	E146-L150 WeakPolarHBondContact O-CG 3.49Å; E146-L150 PolarHBondContact O-N 3.34Å; E146-L150 VanDerWaalsContact O-N 3.07Å; Q147-L150 PolarHBondContact O-N 2.9Å; M148-L150 VanDerWaalsContact C-N 3.32Å; M148-L150 PolarHBondContact O-N 3.21Å; L150-D152 PolarHBondContact O-N 3.31Å; L150-A153 WeakPolarHBondContact O-CB 3.39Å; L150-A153 PolarHBondContact O-N 2.7Å; L150-E154 WeakPolarHBondContact O-CG 3.48Å; L150-E154 PolarHBondContact O-N 3.41Å
151	I	91.1	Very high	93	Very high	68 Å²	68	89 Å²	89	35%	0.349	44%	0.442	S	S	.	.	H	α-helix	trans	-59.7	-47.6	176.7	-66.4	165.3	0	0	0	110.4	Q147 M148 A153 E154 E155	Q147-I151 WeakPolarHBondContact O-CG1 3.39Å; Q147-I151 PolarHBondContact O-N 3.33Å; M148-I151 PolarHBondContact O-N 3.01Å; I151-A153 VanDerWaalsContact C-N 3.27Å; I151-A153 PolarHBondContact O-N 2.77Å; I151-E154 PolarHBondContact O-N 2.95Å; I151-E155 HydrophobicContact CG2-CG 4.36Å; I151-E155 WeakPolarHBondContact O-CB 3.48Å; I151-E155 WeakPolarHBondContact O-CG 3.32Å; I151-E155 PolarHBondContact O-N 2.86Å
152	D	94.2	Very high	93.1	Very high	88 Å²	88	87.6 Å²	87.6	47%	0.471	43%	0.434	S	S	.	.	H	α-helix	trans	-60	-38.3	177.6	-75.1	-15.3	0	0	0	111.8	M148 L150 W156	M148-D152 WeakPolarHBondContact O-CB 3.43Å; M148-D152 VanDerWaalsContact O-CG 3.32Å; M148-D152 PolarHBondContact O-N 3.43Å; L150-D152 PolarHBondContact O-N 3.31Å; D152-W156 VanDerWaalsContact O-CB 3.23Å; D152-W156 WeakPolarHBondContact O-CB 3.44Å; D152-W156 PolarHBondContact O-N 3.48Å
153	A	96.1	Very high	93.2	Very high	48 Å²	48	84.6 Å²	84.6	40%	0.397	42%	0.423	S	S	.	.	H	α-helix	trans	-67.5	-44	176.2	0	0	0	0	0	111.9	M149 L150 I151 W156 E157	M149-A153 WeakPolarHBondContact O-CB 3.4Å; M149-A153 PolarHBondContact O-N 2.85Å; L150-A153 WeakPolarHBondContact O-CB 3.39Å; L150-A153 PolarHBondContact O-N 2.7Å; I151-A153 VanDerWaalsContact C-N 3.27Å; I151-A153 PolarHBondContact O-N 2.77Å; A153-W156 PolarHBondContact O-N 3.08Å; A153-E157 WeakPolarHBondContact O-CG 3.35Å; A153-E157 PolarHBondContact O-N 3.17Å
154	E	93.9	Very high	93.5	Very high	131 Å²	131	88.5 Å²	88.5	61%	0.612	44%	0.44	S	S	*	.	H	α-helix	trans	-63	-44.7	176	-72.6	178.4	-173	0	0	111.9	L150 I151 W156 E157 A158	L150-E154 WeakPolarHBondContact O-CG 3.48Å; L150-E154 PolarHBondContact O-N 3.41Å; I151-E154 PolarHBondContact O-N 2.95Å; E154-W156 VanDerWaalsContact C-N 3.32Å; E154-W156 PolarHBondContact O-N 3.42Å; E154-E157 PolarHBondContact O-N 3.25Å; E154-A158 WeakPolarHBondContact O-CB 3.41Å; E154-A158 PolarHBondContact O-N 3.31Å
155	E	91.7	Very high	93.7	Very high	127 Å²	127	90.9 Å²	90.9	59%	0.593	45%	0.452	S	S	*	.	H	α-helix	trans	-60.6	-42.3	174.5	-73.9	-166.4	165.5	0	0	111.3	I151 A158 F159	I151-E155 HydrophobicContact CG2-CG 4.36Å; I151-E155 WeakPolarHBondContact O-CB 3.48Å; I151-E155 WeakPolarHBondContact O-CG 3.32Å; I151-E155 PolarHBondContact O-N 2.86Å; E155-A158 PolarHBondContact O-N 3.45Å; E155-F159 WeakPolarHBondContact O-CB 3.23Å; E155-F159 PolarHBondContact O-N 3.17Å
156	W	95.2	Very high	93.8	Very high	153 Å²	153	89.9 Å²	89.9	58%	0.58	46%	0.457	S	S	*	.	H	α-helix	trans	-65.5	-42.6	176.8	-175.6	-110.9	0	0	0	112.3	D152 A153 E154 F159 L160	D152-W156 VanDerWaalsContact O-CB 3.23Å; D152-W156 WeakPolarHBondContact O-CB 3.44Å; D152-W156 PolarHBondContact O-N 3.48Å; A153-W156 PolarHBondContact O-N 3.08Å; E154-W156 VanDerWaalsContact C-N 3.32Å; E154-W156 PolarHBondContact O-N 3.42Å; W156-F159 HydrophobicContact CE3-CD1 4.07Å; W156-F159 HydrophobicContact CH2-CD1 4.4Å; W156-F159 HydrophobicContact CH2-CE1 4.43Å; W156-F159 AromaticContact CZ3-CD1 3.86Å; W156-F159 HydrophobicContact CZ3-CD1 3.86Å; W156-F159 HydrophobicContact CZ3-CE1 4.12Å; W156-F159 WeakPolarHBondContact O-CB 3.5Å; W156-F159 PolarHBondContact O-N 2.88Å; W156-L160 HydrophobicContact CZ2-CD2 4.22Å; W156-L160 WeakPolarHBondContact O-CG 3.47Å; W156-L160 PolarHBondContact O-N 2.88Å
157	E	95	Very high	93.9	Very high	125 Å²	125	87.9 Å²	87.9	58%	0.584	45%	0.449	S	S	*	.	H	α-helix	trans	-63.4	-43.1	174.7	-75.7	-169.1	170.4	0	0	112	A153 E154 F159 L160 N161	A153-E157 WeakPolarHBondContact O-CG 3.35Å; A153-E157 PolarHBondContact O-N 3.17Å; E154-E157 PolarHBondContact O-N 3.25Å; E157-F159 VanDerWaalsContact C-N 3.32Å; E157-F159 PolarHBondContact O-N 3.46Å; E157-L160 PolarHBondContact O-N 3.32Å; E157-N161 WeakPolarHBondContact O-CB 3.16Å; E157-N161 VanDerWaalsContact O-CG 3.26Å; E157-N161 PolarHBondContact O-N 2.84Å; E157-N161 PolarHBondContact O-ND2 3.41Å
158	A	93.9	Very high	94.1	Very high	59 Å²	59	84.6 Å²	84.6	49%	0.488	43%	0.434	S	S	.	.	H	α-helix	trans	-60	-43.1	174.3	0	0	0	0	0	111.4	E154 E155 N161 L162	E154-A158 WeakPolarHBondContact O-CB 3.41Å; E154-A158 PolarHBondContact O-N 3.31Å; E155-A158 PolarHBondContact O-N 3.45Å; A158-N161 PolarHBondContact O-N 2.95Å; A158-L162 WeakPolarHBondContact O-CB 3.29Å; A158-L162 PolarHBondContact O-N 3.02Å
159	F	95	Very high	94.4	Very high	50 Å²	50	84.5 Å²	84.5	22%	0.219	43%	0.434	C	S	.	.	H	α-helix	trans	-63.1	-44.1	174.7	178	-104.1	0	0	0	112.1	E155 W156 E157 N161 L162 I163 L289 F291	E155-F159 WeakPolarHBondContact O-CB 3.23Å; E155-F159 PolarHBondContact O-N 3.17Å; W156-F159 HydrophobicContact CE3-CD1 4.07Å; W156-F159 HydrophobicContact CH2-CD1 4.4Å; W156-F159 HydrophobicContact CH2-CE1 4.43Å; W156-F159 AromaticContact CZ3-CD1 3.86Å; W156-F159 HydrophobicContact CZ3-CD1 3.86Å; W156-F159 HydrophobicContact CZ3-CE1 4.12Å; W156-F159 WeakPolarHBondContact O-CB 3.5Å; W156-F159 PolarHBondContact O-N 2.88Å; E157-F159 VanDerWaalsContact C-N 3.32Å; E157-F159 PolarHBondContact O-N 3.46Å; F159-N161 VanDerWaalsContact C-N 3.35Å; F159-N161 PolarHBondContact O-N 3.48Å; F159-L162 WeakPolarHBondContact O-CB 3.36Å; F159-L162 PolarHBondContact O-N 2.88Å; F159-I163 HydrophobicContact CD2-CG2 4.48Å; F159-I163 HydrophobicContact CE1-CD1 4.14Å; F159-I163 HydrophobicContact CE1-CG2 4.21Å; F159-I163 HydrophobicContact CE2-CG2 3.99Å; F159-I163 HydrophobicContact CZ-CG2 3.84Å; F159-I163 PolarHBondContact O-N 3.46Å; F159-L289 HydrophobicContact CE2-CD2 4.48Å; F159-F291 AromaticContact CE2-CE2 3.82Å; F159-F291 HydrophobicContact CE2-CE2 3.82Å; F159-F291 HydrophobicContact CE2-CZ 4.07Å; F159-F291 HydrophobicContact CZ-CE2 4.35Å
160	L	95.7	Very high	94.5	Very high	48 Å²	48	82.3 Å²	82.3	25%	0.251	42%	0.419	S	S	.	.	H	α-helix	trans	-61.3	-42.7	175.5	-73.1	-177.4	0	0	0	111.9	W156 E157 L162 I163 K164	W156-L160 HydrophobicContact CZ2-CD2 4.22Å; W156-L160 WeakPolarHBondContact O-CG 3.47Å; W156-L160 PolarHBondContact O-N 2.88Å; E157-L160 PolarHBondContact O-N 3.32Å; L160-L162 VanDerWaalsContact C-N 3.31Å; L160-L162 PolarHBondContact O-N 3.24Å; L160-I163 HydrophobicContact CD2-CD1 3.93Å; L160-I163 VanDerWaalsContact O-CG1 3.3Å; L160-I163 WeakPolarHBondContact O-CG1 3.33Å; L160-I163 PolarHBondContact O-N 3.35Å; L160-K164 VanDerWaalsContact O-CB 3.29Å; L160-K164 WeakPolarHBondContact O-CB 3.5Å; L160-K164 WeakPolarHBondContact O-CD 3.43Å; L160-K164 WeakPolarHBondContact O-CG 3.48Å; L160-K164 PolarHBondContact O-N 3.37Å
161	N	94.6	Very high	94.6	Very high	103 Å²	103	78.4 Å²	78.4	55%	0.551	40%	0.399	S	S	*	.	H	α-helix	trans	-64.1	-38	176.7	-72.2	-31.1	0	0	0	111.7	E157 A158 F159 N165	E157-N161 WeakPolarHBondContact O-CB 3.16Å; E157-N161 VanDerWaalsContact O-CG 3.26Å; E157-N161 PolarHBondContact O-N 2.84Å; E157-N161 PolarHBondContact O-ND2 3.41Å; A158-N161 PolarHBondContact O-N 2.95Å; F159-N161 VanDerWaalsContact C-N 3.35Å; F159-N161 PolarHBondContact O-N 3.48Å; N161-N165 PolarHBondContact O-N 3.23Å
162	L	93	Very high	94.9	Very high	32 Å²	32	78.9 Å²	78.9	17%	0.168	40%	0.399	C	S	.	.	H	α-helix	trans	-60.9	-50.1	174.5	177.7	68.6	0	0	0	111.8	A158 F159 L160 N165 T168 L288	A158-L162 WeakPolarHBondContact O-CB 3.29Å; A158-L162 PolarHBondContact O-N 3.02Å; F159-L162 WeakPolarHBondContact O-CB 3.36Å; F159-L162 PolarHBondContact O-N 2.88Å; L160-L162 VanDerWaalsContact C-N 3.31Å; L160-L162 PolarHBondContact O-N 3.24Å; L162-N165 WeakPolarHBondContact O-CB 3.49Å; L162-N165 PolarHBondContact O-N 2.94Å; L162-T168 HydrophobicContact CD1-CG2 4.4Å; L162-T168 HydrophobicContact CG-CG2 4.36Å; L162-T168 WeakPolarHBondContact O-CB 3.39Å; L162-T168 WeakPolarHBondContact O-CG2 3.3Å; L162-T168 PolarHBondContact O-OG1 3.19Å; L162-L288 WeakPolarHBondContact CD2-O 3.35Å
163	I	94.6	Very high	95	Very high	60 Å²	60	79.3 Å²	79.3	31%	0.308	40%	0.4	S	S	.	.	H	α-helix	trans	-75.4	-23.8	-177.8	66.9	175.1	0	0	0	113.3	F159 L160 N165 I169 L289	F159-I163 HydrophobicContact CD2-CG2 4.48Å; F159-I163 HydrophobicContact CE1-CD1 4.14Å; F159-I163 HydrophobicContact CE1-CG2 4.21Å; F159-I163 HydrophobicContact CE2-CG2 3.99Å; F159-I163 HydrophobicContact CZ-CG2 3.84Å; F159-I163 PolarHBondContact O-N 3.46Å; L160-I163 HydrophobicContact CD2-CD1 3.93Å; L160-I163 VanDerWaalsContact O-CG1 3.3Å; L160-I163 WeakPolarHBondContact O-CG1 3.33Å; L160-I163 PolarHBondContact O-N 3.35Å; I163-N165 VanDerWaalsContact C-N 3.29Å; I163-I169 WeakPolarHBondContact O-CD1 3.3Å; I163-I169 WeakPolarHBondContact O-CG1 3.34Å; I163-L289 HydrophobicContact CG2-CD2 3.98Å
164	K	94.6	Very high	95.1	Very high	138 Å²	138	77.8 Å²	77.8	60%	0.6	38%	0.384	S	S	*	.	H	α-helix	trans	-74.8	-20.5	173.5	-76.1	171.4	-176.1	173.7	0	112.6	L160 P166	L160-K164 VanDerWaalsContact O-CB 3.29Å; L160-K164 WeakPolarHBondContact O-CB 3.5Å; L160-K164 WeakPolarHBondContact O-CD 3.43Å; L160-K164 WeakPolarHBondContact O-CG 3.48Å; L160-K164 PolarHBondContact O-N 3.37Å; K164-P166 WeakPolarHBondContact O-CD 3.35Å
165	N	94.5	Very high	95.3	Very high	74 Å²	74	72.2 Å²	72.2	40%	0.396	36%	0.358	S	S	.	.	S	Bend	trans	-63.1	121.9	179.3	-177.8	-27.6	0	0	0	110.1	N161 L162 I163 L167 T168 I169	N161-N165 PolarHBondContact O-N 3.23Å; L162-N165 WeakPolarHBondContact O-CB 3.49Å; L162-N165 PolarHBondContact O-N 2.94Å; I163-N165 VanDerWaalsContact C-N 3.29Å; N165-L167 PolarHBondContact O-N 3.03Å; N165-L167 WeakPolarHBondContact OD1-CB 3.18Å; N165-L167 PolarHBondContact OD1-N 3.06Å; N165-T168 WeakPolarHBondContact CB-OG1 3.43Å; N165-T168 WeakPolarHBondContact O-CB 3.36Å; N165-T168 PolarHBondContact O-N 3.41Å; N165-I169 PolarHBondContact O-N 2.94Å
166	P	96.2	Very high	95.6	Very high	102 Å²	102	68.8 Å²	68.8	66%	0.662	35%	0.346	S	S	*	.	H	α-helix	trans	-60.6	-30.8	-176.7	24	-34.5	0	0	0	113.3	K164 I169 Y170	K164-P166 WeakPolarHBondContact O-CD 3.35Å; P166-I169 PolarHBondContact O-N 3.2Å; P166-Y170 WeakPolarHBondContact O-CB 3.2Å; P166-Y170 PolarHBondContact O-N 2.91Å
167	L	94.8	Very high	95.7	Very high	54 Å²	54	63.9 Å²	63.9	28%	0.283	33%	0.333	S	S	.	.	H	α-helix	trans	-68.1	-41.6	175.1	179.1	61.7	0	0	0	111.3	N165 I169 Y170 L171 W230	N165-L167 PolarHBondContact O-N 3.03Å; N165-L167 WeakPolarHBondContact OD1-CB 3.18Å; N165-L167 PolarHBondContact OD1-N 3.06Å; L167-I169 VanDerWaalsContact C-N 3.33Å; L167-I169 PolarHBondContact O-N 3.31Å; L167-Y170 HydrophobicContact CD1-CD1 4.24Å; L167-Y170 PolarHBondContact O-N 3.09Å; L167-L171 HydrophobicContact CD1-CD1 4.2Å; L167-L171 HydrophobicContact CD1-CG 4.16Å; L167-L171 HydrophobicContact CG-CD1 4.09Å; L167-L171 HydrophobicContact CG-CG 4.45Å; L167-L171 WeakPolarHBondContact O-CB 3.43Å; L167-L171 WeakPolarHBondContact O-CG 3.43Å; L167-L171 PolarHBondContact O-N 2.9Å; L167-W230 HydrophobicContact CD1-CB 4.31Å; L167-W230 HydrophobicContact CD1-CD2 3.51Å; L167-W230 HydrophobicContact CD1-CE3 3.59Å; L167-W230 HydrophobicContact CD1-CG 3.85Å; L167-W230 HydrophobicContact CD1-CH2 4.48Å; L167-W230 HydrophobicContact CD1-CZ2 4.41Å; L167-W230 HydrophobicContact CD1-CZ3 4.09Å; L167-W230 HydrophobicContact CD2-CB 4.28Å; L167-W230 HydrophobicContact CD2-CD2 4.4Å; L167-W230 HydrophobicContact CD2-CG 3.96Å
168	T	94	Very high	95.9	Very high	9 Å²	9	58 Å²	58	6%	0.055	31%	0.305	C	S	.	.	H	α-helix	trans	-60	-45.4	174.2	-54.3	0	0	0	0	110.5	L162 N165 Y170 L171 F172 L288	L162-T168 HydrophobicContact CD1-CG2 4.4Å; L162-T168 HydrophobicContact CG-CG2 4.36Å; L162-T168 WeakPolarHBondContact O-CB 3.39Å; L162-T168 WeakPolarHBondContact O-CG2 3.3Å; L162-T168 PolarHBondContact O-OG1 3.19Å; N165-T168 WeakPolarHBondContact CB-OG1 3.43Å; N165-T168 WeakPolarHBondContact O-CB 3.36Å; N165-T168 PolarHBondContact O-N 3.41Å; T168-Y170 PolarHBondContact O-N 3.35Å; T168-L171 PolarHBondContact O-N 3.43Å; T168-F172 WeakPolarHBondContact O-CB 3.44Å; T168-F172 PolarHBondContact O-N 3.34Å; T168-L288 HydrophobicContact CG2-CD1 3.93Å; T168-L288 HydrophobicContact CG2-CD2 4.06Å; T168-L288 HydrophobicContact CG2-CG 3.82Å
169	I	96	Very high	96.1	Very high	79 Å²	79	57.9 Å²	57.9	41%	0.405	29%	0.294	S	S	.	.	H	α-helix	trans	-60.7	-47.8	177.8	-63.2	170.2	0	0	0	110.7	I163 N165 P166 L167 F172 I173	I163-I169 WeakPolarHBondContact O-CD1 3.3Å; I163-I169 WeakPolarHBondContact O-CG1 3.34Å; N165-I169 PolarHBondContact O-N 2.94Å; P166-I169 PolarHBondContact O-N 3.2Å; L167-I169 VanDerWaalsContact C-N 3.33Å; L167-I169 PolarHBondContact O-N 3.31Å; I169-F172 PolarHBondContact O-N 3.1Å; I169-I173 HydrophobicContact CG2-CD1 3.8Å; I169-I173 HydrophobicContact CG2-CG1 4.5Å; I169-I173 VanDerWaalsContact O-CG1 3.3Å; I169-I173 WeakPolarHBondContact O-CG1 3.15Å; I169-I173 PolarHBondContact O-N 3.12Å
170	Y	97	Very high	96.3	Very high	86 Å²	86	58.5 Å²	58.5	34%	0.337	30%	0.304	S	S	.	.	H	α-helix	trans	-58.1	-50.5	177.2	165.8	-99.3	0	0	0	112.1	P166 L167 T168 F172 I173 F174 H225 W230	P166-Y170 WeakPolarHBondContact O-CB 3.2Å; P166-Y170 PolarHBondContact O-N 2.91Å; L167-Y170 HydrophobicContact CD1-CD1 4.24Å; L167-Y170 PolarHBondContact O-N 3.09Å; T168-Y170 PolarHBondContact O-N 3.35Å; Y170-F172 VanDerWaalsContact C-N 3.33Å; Y170-F172 PolarHBondContact O-N 2.95Å; Y170-I173 PolarHBondContact O-N 3.45Å; Y170-F174 WeakPolarHBondContact O-CB 3.22Å; Y170-F174 PolarHBondContact O-N 2.88Å; Y170-H225 AromaticContact CE1-CE1 3.94Å; Y170-H225 AromaticContact CE1-NE2 3.34Å; Y170-H225 VanDerWaalsContact CE1-NE2 3.34Å; Y170-H225 WeakPolarHBondContact CE1-NE2 3.35Å; Y170-H225 AromaticContact CZ-NE2 3.52Å; Y170-H225 PolarHBondContact OH-NE2 3.07Å; Y170-W230 HydrophobicContact CD1-CZ3 4.25Å; Y170-W230 HydrophobicContact CE1-CE3 4.14Å; Y170-W230 AromaticContact CE1-CZ3 3.73Å; Y170-W230 HydrophobicContact CE1-CZ3 3.73Å
171	L	95.8	Very high	96.4	Very high	12 Å²	12	56.3 Å²	56.3	6%	0.063	29%	0.294	C	S	.	.	H	α-helix	trans	-64.4	-39.5	179.4	-71.4	174.9	0	0	0	111.3	L167 T168 F174 N175 W230 L288	L167-L171 HydrophobicContact CD1-CD1 4.2Å; L167-L171 HydrophobicContact CD1-CG 4.16Å; L167-L171 HydrophobicContact CG-CD1 4.09Å; L167-L171 HydrophobicContact CG-CG 4.45Å; L167-L171 WeakPolarHBondContact O-CB 3.43Å; L167-L171 WeakPolarHBondContact O-CG 3.43Å; L167-L171 PolarHBondContact O-N 2.9Å; T168-L171 PolarHBondContact O-N 3.43Å; L171-F174 PolarHBondContact O-N 3.49Å; L171-N175 WeakPolarHBondContact O-CB 3.42Å; L171-N175 PolarHBondContact O-N 3.5Å; L171-N175 PolarHBondContact O-ND2 2.94Å; L171-W230 HydrophobicContact CD1-CB 4.42Å; L171-L288 HydrophobicContact CB-CD1 4.42Å; L171-L288 HydrophobicContact CB-CD2 3.87Å; L171-L288 HydrophobicContact CD1-CD1 4.25Å
172	F	96.7	Very high	96.6	Very high	79 Å²	79	51.5 Å²	51.5	35%	0.346	27%	0.268	S	S	.	.	H	α-helix	trans	-59.5	-51.2	175.9	179.6	-93.1	0	0	0	110.7	T168 I169 Y170 F174 N175 V176 I285 L288 L289	T168-F172 WeakPolarHBondContact O-CB 3.44Å; T168-F172 PolarHBondContact O-N 3.34Å; I169-F172 PolarHBondContact O-N 3.1Å; Y170-F172 VanDerWaalsContact C-N 3.33Å; Y170-F172 PolarHBondContact O-N 2.95Å; F172-F174 PolarHBondContact O-N 3.34Å; F172-N175 PolarHBondContact O-N 3.33Å; F172-V176 HydrophobicContact CD1-CG2 4.18Å; F172-V176 HydrophobicContact CE1-CG2 3.82Å; F172-V176 HydrophobicContact CE2-CG2 4.43Å; F172-V176 HydrophobicContact CZ-CG2 3.96Å; F172-V176 VanDerWaalsContact O-CG2 3.31Å; F172-V176 WeakPolarHBondContact O-CG2 3.25Å; F172-V176 PolarHBondContact O-N 2.91Å; F172-I285 HydrophobicContact CD2-CG2 3.9Å; F172-I285 HydrophobicContact CE2-CG2 3.58Å; F172-L288 HydrophobicContact CB-CD2 3.88Å; F172-L289 HydrophobicContact CD2-CD1 4.46Å; F172-L289 HydrophobicContact CE2-CD1 4.12Å
173	I	97.8	Very high	96.9	Very high	96 Å²	96	53.8 Å²	53.8	49%	0.492	28%	0.28	S	S	.	.	H	α-helix	trans	-60.6	-45.6	177.7	-67.2	168.7	0	0	0	110.7	I169 Y170 N175 V176 V177	I169-I173 HydrophobicContact CG2-CD1 3.8Å; I169-I173 HydrophobicContact CG2-CG1 4.5Å; I169-I173 VanDerWaalsContact O-CG1 3.3Å; I169-I173 WeakPolarHBondContact O-CG1 3.15Å; I169-I173 PolarHBondContact O-N 3.12Å; Y170-I173 PolarHBondContact O-N 3.45Å; I173-N175 PolarHBondContact O-N 2.81Å; I173-V176 PolarHBondContact O-N 3.47Å; I173-V177 HydrophobicContact CG2-CG2 4.3Å; I173-V177 WeakPolarHBondContact O-CG2 3.35Å; I173-V177 PolarHBondContact O-N 3.39Å
174	F	97.4	Very high	97.1	Very high	17 Å²	17	56.5 Å²	56.5	8%	0.075	29%	0.287	C	S	.	.	H	α-helix	trans	-56.1	-50.1	177.3	174.7	-94.6	0	0	0	111.6	Y170 L171 F172 V176 V177 Q178 L221 E222 H225	Y170-F174 WeakPolarHBondContact O-CB 3.22Å; Y170-F174 PolarHBondContact O-N 2.88Å; L171-F174 PolarHBondContact O-N 3.49Å; F172-F174 PolarHBondContact O-N 3.34Å; F174-V176 VanDerWaalsContact C-N 3.34Å; F174-V176 PolarHBondContact O-N 2.97Å; F174-V177 PolarHBondContact O-N 3.19Å; F174-Q178 HydrophobicContact CD1-CG 4.28Å; F174-Q178 HydrophobicContact CE1-CG 3.86Å; F174-Q178 HydrophobicContact CE2-CG 4.15Å; F174-Q178 HydrophobicContact CZ-CG 3.79Å; F174-Q178 WeakPolarHBondContact O-CB 3.47Å; F174-Q178 WeakPolarHBondContact O-CG 3.36Å; F174-Q178 PolarHBondContact O-N 3.49Å; F174-L221 HydrophobicContact CD2-CD1 4.28Å; F174-L221 HydrophobicContact CE2-CB 3.9Å; F174-L221 HydrophobicContact CE2-CD1 3.94Å; F174-L221 HydrophobicContact CE2-CG 4.47Å; F174-L221 HydrophobicContact CZ-CB 4.25Å; F174-E222 HydrophobicContact CE1-CG 4.02Å; F174-E222 HydrophobicContact CZ-CG 3.94Å; F174-H225 AromaticContact CD1-CE1 3.88Å; F174-H225 AromaticContact CD2-CE1 3.98Å; F174-H225 AromaticContact CE1-CE1 3.86Å; F174-H225 AromaticContact CE2-CE1 3.97Å; F174-H225 AromaticContact CG-CE1 3.94Å; F174-H225 AromaticContact CZ-CE1 3.91Å
175	N	97	Very high	97.3	Very high	13 Å²	13	50 Å²	50	7%	0.07	26%	0.259	C	S	.	.	H	α-helix	trans	-65.7	-35.5	179.3	-73.4	-69.9	0	0	0	112	L171 F172 I173 F179 Y281 Y284 I285	L171-N175 WeakPolarHBondContact O-CB 3.42Å; L171-N175 PolarHBondContact O-N 3.5Å; L171-N175 PolarHBondContact O-ND2 2.94Å; F172-N175 PolarHBondContact O-N 3.33Å; I173-N175 PolarHBondContact O-N 2.81Å; N175-F179 WeakPolarHBondContact O-CB 3.41Å; N175-F179 PolarHBondContact O-N 2.99Å; N175-Y281 HydrophobicContact CB-CD1 4.32Å; N175-Y281 WeakPolarHBondContact OD1-CD1 3.37Å; N175-Y284 WeakPolarHBondContact OD1-CB 3.34Å; N175-Y284 WeakPolarHBondContact OD1-CD2 3.45Å; N175-I285 HydrophobicContact CB-CD1 4.06Å; N175-I285 HydrophobicContact CB-CG1 3.58Å
176	V	98.4	Very high	97.4	Very high	56 Å²	56	47 Å²	47	34%	0.339	24%	0.244	S	C	.	.	H	α-helix	trans	-66.1	-44.6	174.9	168	0	0	0	0	111.4	F172 I173 F174 F179 S180 I285	F172-V176 HydrophobicContact CD1-CG2 4.18Å; F172-V176 HydrophobicContact CE1-CG2 3.82Å; F172-V176 HydrophobicContact CE2-CG2 4.43Å; F172-V176 HydrophobicContact CZ-CG2 3.96Å; F172-V176 VanDerWaalsContact O-CG2 3.31Å; F172-V176 WeakPolarHBondContact O-CG2 3.25Å; F172-V176 PolarHBondContact O-N 2.91Å; I173-V176 PolarHBondContact O-N 3.47Å; F174-V176 VanDerWaalsContact C-N 3.34Å; F174-V176 PolarHBondContact O-N 2.97Å; V176-F179 PolarHBondContact O-N 2.98Å; V176-S180 VanDerWaalsContact O-CB 3.3Å; V176-S180 WeakPolarHBondContact O-CB 3.23Å; V176-S180 PolarHBondContact O-N 2.92Å; V176-S180 PolarHBondContact O-OG 3.42Å; V176-I285 HydrophobicContact CG2-CD1 3.82Å
177	V	98.6	Very high	97.5	Very high	50 Å²	50	44 Å²	44	30%	0.303	23%	0.231	S	C	.	.	H	α-helix	trans	-61.2	-48.5	176.8	169.3	0	0	0	0	110.1	I173 F174 S180 G181 F214 L218	I173-V177 HydrophobicContact CG2-CG2 4.3Å; I173-V177 WeakPolarHBondContact O-CG2 3.35Å; I173-V177 PolarHBondContact O-N 3.39Å; F174-V177 PolarHBondContact O-N 3.19Å; V177-S180 PolarHBondContact O-N 2.96Å; V177-S180 PolarHBondContact O-OG 3.36Å; V177-G181 PolarHBondContact O-N 3.33Å; V177-F214 HydrophobicContact CG1-CE1 4.04Å; V177-F214 HydrophobicContact CG1-CZ 4.49Å; V177-L218 HydrophobicContact CG1-CD1 3.89Å
178	Q	98.1	Very high	97.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60	-49.5	176.8	-77.3	-70.2	-4.1	0	0	112.4	F174 S180 G181 Y182 V215 Y281	F174-Q178 HydrophobicContact CD1-CG 4.28Å; F174-Q178 HydrophobicContact CE1-CG 3.86Å; F174-Q178 HydrophobicContact CE2-CG 4.15Å; F174-Q178 HydrophobicContact CZ-CG 3.79Å; F174-Q178 WeakPolarHBondContact O-CB 3.47Å; F174-Q178 WeakPolarHBondContact O-CG 3.36Å; F174-Q178 PolarHBondContact O-N 3.49Å; Q178-S180 VanDerWaalsContact C-N 3.35Å; Q178-S180 PolarHBondContact O-N 2.92Å; Q178-G181 PolarHBondContact O-N 3.32Å; Q178-Y182 WeakPolarHBondContact O-CD2 3.41Å; Q178-Y182 PolarHBondContact O-N 3.26Å; Q178-V215 PolarHBondContact NE2-O 2.93Å; Q178-Y281 HydrophobicContact CB-CD1 3.71Å; Q178-Y281 HydrophobicContact CB-CD2 3.86Å; Q178-Y281 HydrophobicContact CB-CE1 3.38Å; Q178-Y281 HydrophobicContact CB-CE2 3.54Å; Q178-Y281 HydrophobicContact CB-CG 3.92Å; Q178-Y281 HydrophobicContact CG-CD1 4.44Å; Q178-Y281 HydrophobicContact CG-CE1 3.71Å; Q178-Y281 HydrophobicContact CG-CE2 4.34Å; Q178-Y281 WeakPolarHBondContact CG-OH 3.36Å; Q178-Y281 PolarHBondContact OE1-OH 2.92Å
179	F	98.5	Very high	97.9	Very high	57 Å²	57	41.7 Å²	41.7	25%	0.25	22%	0.221	C	C	.	.	H	α-helix	trans	-54.4	-50.8	175.2	173.8	-119.7	0	0	0	111.4	N175 V176 G181 Y182 L183 V278 Y281 P282	N175-F179 WeakPolarHBondContact O-CB 3.41Å; N175-F179 PolarHBondContact O-N 2.99Å; V176-F179 PolarHBondContact O-N 2.98Å; F179-G181 VanDerWaalsContact C-N 3.29Å; F179-G181 PolarHBondContact O-N 3.21Å; F179-Y182 PolarHBondContact O-N 2.87Å; F179-L183 HydrophobicContact CE1-CD2 3.94Å; F179-L183 HydrophobicContact CE2-CB 4.43Å; F179-L183 HydrophobicContact CE2-CD2 4.49Å; F179-L183 HydrophobicContact CZ-CD1 4.43Å; F179-L183 HydrophobicContact CZ-CD2 3.82Å; F179-L183 HydrophobicContact CZ-CG 4.49Å; F179-L183 WeakPolarHBondContact O-CB 3.44Å; F179-L183 PolarHBondContact O-N 3.44Å; F179-V278 HydrophobicContact CE2-CG1 4.18Å; F179-V278 WeakPolarHBondContact CE2-O 3.35Å; F179-Y281 HydrophobicContact CB-CG 4.4Å; F179-P282 HydrophobicContact CD2-CG 3.55Å; F179-P282 HydrophobicContact CE2-CG 3.42Å; F179-P282 VanDerWaalsContact CE2-CG 3.42Å; F179-P282 HydrophobicContact CG-CG 4.26Å; F179-P282 HydrophobicContact CZ-CG 4.05Å
180	S	98.6	Very high	98	Very high	63 Å²	63	40.7 Å²	40.7	44%	0.441	22%	0.218	S	C	.	.	H	α-helix	trans	-61.3	-38.4	-178.1	71.5	0	0	0	0	112.4	V176 V177 Q178 Y184	V176-S180 VanDerWaalsContact O-CB 3.3Å; V176-S180 WeakPolarHBondContact O-CB 3.23Å; V176-S180 PolarHBondContact O-N 2.92Å; V176-S180 PolarHBondContact O-OG 3.42Å; V177-S180 PolarHBondContact O-N 2.96Å; V177-S180 PolarHBondContact O-OG 3.36Å; Q178-S180 VanDerWaalsContact C-N 3.35Å; Q178-S180 PolarHBondContact O-N 2.92Å; S180-Y184 WeakPolarHBondContact O-CB 3.31Å; S180-Y184 PolarHBondContact O-N 3.26Å
181	G	98.6	Very high	98	Very high	3 Å²	3	42.7 Å²	42.7	3%	0.031	23%	0.226	C	C	.	.	H	α-helix	trans	-69.1	-44.5	179.2	0	0	0	0	0	112.8	V177 Q178 F179 Y184 V185	V177-G181 PolarHBondContact O-N 3.33Å; Q178-G181 PolarHBondContact O-N 3.32Å; F179-G181 VanDerWaalsContact C-N 3.29Å; F179-G181 PolarHBondContact O-N 3.21Å; G181-Y184 PolarHBondContact O-N 3.39Å; G181-V185 WeakPolarHBondContact O-CG2 3.5Å; G181-V185 PolarHBondContact O-N 2.82Å; G181-V185 VanDerWaalsContact O-N 3.14Å
182	Y	98.4	Very high	98	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-72.3	-32.5	175.3	-76.3	-71.7	0	0	0	113	Q178 F179 Y184 V185 C186 L212 V215 Q216 E277 Y281	Q178-Y182 WeakPolarHBondContact O-CD2 3.41Å; Q178-Y182 PolarHBondContact O-N 3.26Å; F179-Y182 PolarHBondContact O-N 2.87Å; Y182-Y184 VanDerWaalsContact C-N 3.34Å; Y182-V185 PolarHBondContact O-N 2.72Å; Y182-C186 WeakPolarHBondContact O-CB 3.37Å; Y182-C186 PolarHBondContact O-N 2.91Å; Y182-L212 HydrophobicContact CD1-CD1 4.39Å; Y182-L212 HydrophobicContact CE1-CD1 3.84Å; Y182-V215 HydrophobicContact CD1-CG2 4.19Å; Y182-V215 HydrophobicContact CD2-CB 4.25Å; Y182-V215 HydrophobicContact CD2-CG2 4.13Å; Y182-V215 HydrophobicContact CE1-CG2 3.74Å; Y182-V215 HydrophobicContact CE2-CB 3.82Å; Y182-V215 HydrophobicContact CE2-CG2 3.68Å; Y182-V215 HydrophobicContact CG-CG2 4.39Å; Y182-V215 VanDerWaalsContact CZ-CG2 3.48Å; Y182-Q216 PolarHBondContact OH-OE1 3.22Å; Y182-E277 HydrophobicContact CD1-CB 3.78Å; Y182-E277 HydrophobicContact CD1-CG 3.95Å; Y182-E277 HydrophobicContact CD2-CB 3.59Å; Y182-E277 HydrophobicContact CD2-CG 4Å; Y182-E277 HydrophobicContact CE1-CB 4.19Å; Y182-E277 HydrophobicContact CE1-CG 3.84Å; Y182-E277 HydrophobicContact CE2-CB 4.01Å; Y182-E277 HydrophobicContact CE2-CG 3.88Å; Y182-E277 HydrophobicContact CG-CB 3.42Å; Y182-E277 VanDerWaalsContact CG-CB 3.42Å; Y182-E277 HydrophobicContact CG-CG 4Å; Y182-Y281 HydrophobicContact CD2-CD2 4.22Å; Y182-Y281 AromaticContact CD2-CE2 3.51Å; Y182-Y281 HydrophobicContact CD2-CE2 3.51Å; Y182-Y281 AromaticContact CE2-CE2 3.72Å; Y182-Y281 HydrophobicContact CE2-CE2 3.72Å
183	L	98.6	Very high	98	Very high	80 Å²	80	41.3 Å²	41.3	42%	0.419	22%	0.222	S	C	.	.	H	α-helix	trans	-62.5	-42.4	172.9	-176.6	65.7	0	0	0	111	F179 G187 V278	F179-L183 HydrophobicContact CE1-CD2 3.94Å; F179-L183 HydrophobicContact CE2-CB 4.43Å; F179-L183 HydrophobicContact CE2-CD2 4.49Å; F179-L183 HydrophobicContact CZ-CD1 4.43Å; F179-L183 HydrophobicContact CZ-CD2 3.82Å; F179-L183 HydrophobicContact CZ-CG 4.49Å; F179-L183 WeakPolarHBondContact O-CB 3.44Å; F179-L183 PolarHBondContact O-N 3.44Å; L183-G187 PolarHBondContact O-N 3.35Å; L183-V278 HydrophobicContact CB-CG2 4.32Å; L183-V278 HydrophobicContact CD1-CG1 4.19Å; L183-V278 HydrophobicContact CD1-CG2 4.3Å
184	Y	98.6	Very high	97.9	Very high	118 Å²	118	43.3 Å²	43.3	46%	0.463	23%	0.231	S	C	.	.	H	α-helix	trans	-59.3	-49.9	173.1	174.7	-89.3	0	0	0	111.5	S180 G181 Y182 G187 A188 W207 R211	S180-Y184 WeakPolarHBondContact O-CB 3.31Å; S180-Y184 PolarHBondContact O-N 3.26Å; G181-Y184 PolarHBondContact O-N 3.39Å; Y182-Y184 VanDerWaalsContact C-N 3.34Å; Y184-G187 PolarHBondContact O-N 2.87Å; Y184-A188 VanDerWaalsContact O-CB 3.31Å; Y184-A188 WeakPolarHBondContact O-CB 3.34Å; Y184-A188 PolarHBondContact O-N 3.45Å; Y184-W207 WeakPolarHBondContact CE1-O 3.33Å; Y184-W207 PolarHBondContact OH-O 3.04Å; Y184-R211 HydrophobicContact CD1-CB 3.95Å; Y184-R211 HydrophobicContact CD1-CG 3.78Å; Y184-R211 HydrophobicContact CE1-CB 4.22Å; Y184-R211 HydrophobicContact CG-CG 4.44Å
185	V	98.7	Very high	97.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.2	-50.7	180	172.5	0	0	0	0	110.6	G181 Y182 G187 A188 L189 T208 R211 L212	G181-V185 WeakPolarHBondContact O-CG2 3.5Å; G181-V185 PolarHBondContact O-N 2.82Å; G181-V185 VanDerWaalsContact O-N 3.14Å; Y182-V185 PolarHBondContact O-N 2.72Å; V185-G187 VanDerWaalsContact C-N 3.33Å; V185-G187 PolarHBondContact O-N 3.35Å; V185-A188 PolarHBondContact O-N 3.29Å; V185-L189 HydrophobicContact CG1-CD1 4.01Å; V185-L189 VanDerWaalsContact O-CG 3.25Å; V185-L189 WeakPolarHBondContact O-CG 3.34Å; V185-L189 PolarHBondContact O-N 2.91Å; V185-T208 HydrophobicContact CG1-CG2 4.07Å; V185-R211 HydrophobicContact CG2-CB 4.04Å; V185-R211 HydrophobicContact CG2-CG 3.98Å; V185-L212 HydrophobicContact CG2-CB 4.36Å
186	C	98.4	Very high	97.7	Very high	13 Å²	13	52 Å²	52	9%	0.088	27%	0.268	C	S	.	.	H	α-helix	trans	-59.7	-45	179	-171.9	0	0	0	0	111.3	Y182 L189 V190 V278	Y182-C186 WeakPolarHBondContact O-CB 3.37Å; Y182-C186 PolarHBondContact O-N 2.91Å; C186-L189 PolarHBondContact O-N 3.45Å; C186-V190 WeakPolarHBondContact O-CG2 3.35Å; C186-V190 PolarHBondContact O-N 3.3Å; C186-V278 HydrophobicContact CB-CG2 3.96Å
187	G	98.3	Very high	97.3	Very high	37 Å²	37	57.5 Å²	57.5	38%	0.381	29%	0.287	S	S	.	.	H	α-helix	trans	-62.2	-43.3	177.7	0	0	0	0	0	112.8	L183 Y184 V185 L189 V190 Y191	L183-G187 PolarHBondContact O-N 3.35Å; Y184-G187 PolarHBondContact O-N 2.87Å; V185-G187 VanDerWaalsContact C-N 3.33Å; V185-G187 PolarHBondContact O-N 3.35Å; G187-L189 PolarHBondContact O-N 2.9Å; G187-V190 PolarHBondContact O-N 3.37Å; G187-Y191 WeakPolarHBondContact O-CB 3.45Å; G187-Y191 PolarHBondContact O-N 2.86Å
188	A	98.1	Very high	96.9	Very high	15 Å²	15	59.2 Å²	59.2	12%	0.124	29%	0.292	C	S	.	.	H	α-helix	trans	-63.7	-39.4	177.1	0	0	0	0	0	112.1	Y184 V185 G192 T208	Y184-A188 VanDerWaalsContact O-CB 3.31Å; Y184-A188 WeakPolarHBondContact O-CB 3.34Å; Y184-A188 PolarHBondContact O-N 3.45Å; V185-A188 PolarHBondContact O-N 3.29Å; A188-G192 PolarHBondContact O-N 3.29Å; A188-T208 HydrophobicContact CB-CG2 3.92Å
189	L	98.1	Very high	96.7	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-65.4	-48.9	175.6	-65	171.9	0	0	0	111.3	V185 C186 G187 Y191 G192 L193 F204 T208 Y267 F270 F271	V185-L189 HydrophobicContact CG1-CD1 4.01Å; V185-L189 VanDerWaalsContact O-CG 3.25Å; V185-L189 WeakPolarHBondContact O-CG 3.34Å; V185-L189 PolarHBondContact O-N 2.91Å; C186-L189 PolarHBondContact O-N 3.45Å; G187-L189 PolarHBondContact O-N 2.9Å; L189-Y191 PolarHBondContact O-N 3.34Å; L189-G192 PolarHBondContact O-N 2.86Å; L189-L193 PolarHBondContact O-N 2.9Å; L189-F204 HydrophobicContact CD2-CB 3.74Å; L189-F204 HydrophobicContact CD2-CD2 4.13Å; L189-F204 HydrophobicContact CD2-CG 4.26Å; L189-T208 HydrophobicContact CD2-CG2 4.13Å; L189-T208 HydrophobicContact CG-CG2 4.23Å; L189-Y267 HydrophobicContact CB-CE2 3.99Å; L189-Y267 HydrophobicContact CD2-CD2 3.63Å; L189-Y267 HydrophobicContact CD2-CE2 3.49Å; L189-Y267 VanDerWaalsContact CD2-CE2 3.49Å; L189-Y267 HydrophobicContact CG-CE2 4.31Å; L189-Y267 PolarHBondContact O-OH 2.97Å; L189-F270 HydrophobicContact CD1-CB 3.98Å; L189-F271 HydrophobicContact CB-CD2 4.27Å; L189-F271 HydrophobicContact CD1-CB 3.96Å; L189-F271 HydrophobicContact CD1-CD2 4.37Å
190	V	97.8	Very high	96.2	Very high	59 Å²	59	62.7 Å²	62.7	36%	0.358	31%	0.31	S	S	.	.	H	α-helix	trans	-61.5	-45.6	177.2	174.8	0	0	0	0	111.1	C186 G187 G192 L193 M194 F271	C186-V190 WeakPolarHBondContact O-CG2 3.35Å; C186-V190 PolarHBondContact O-N 3.3Å; G187-V190 PolarHBondContact O-N 3.37Å; V190-G192 PolarHBondContact O-N 3.15Å; V190-L193 PolarHBondContact O-N 3.34Å; V190-M194 HydrophobicContact CG1-CG 4.48Å; V190-M194 HydrophobicContact CG1-SD 4.15Å; V190-M194 WeakPolarHBondContact O-CG 3.38Å; V190-M194 PolarHBondContact O-N 3.27Å; V190-F271 HydrophobicContact CG2-CE2 3.75Å
191	Y	97.7	Very high	95.9	Very high	128 Å²	128	64.6 Å²	64.6	50%	0.502	31%	0.31	S	S	.	.	H	α-helix	trans	-58.3	-46.8	176.4	173.7	-103.6	0	0	0	111.6	G187 L189 L193 M194 Q195 W207	G187-Y191 WeakPolarHBondContact O-CB 3.45Å; G187-Y191 PolarHBondContact O-N 2.86Å; L189-Y191 PolarHBondContact O-N 3.34Å; Y191-L193 VanDerWaalsContact C-N 3.32Å; Y191-L193 PolarHBondContact O-N 3.5Å; Y191-M194 PolarHBondContact O-N 3.36Å; Y191-Q195 HydrophobicContact CD1-CG 4.4Å; Y191-Q195 HydrophobicContact CD2-CG 4.23Å; Y191-Q195 HydrophobicContact CE1-CG 3.94Å; Y191-Q195 HydrophobicContact CE2-CG 3.75Å; Y191-Q195 WeakPolarHBondContact O-CG 3.4Å; Y191-Q195 PolarHBondContact O-N 3.01Å; Y191-W207 HydrophobicContact CD1-CH2 4.34Å; Y191-W207 AromaticContact CD1-CZ3 3.96Å; Y191-W207 HydrophobicContact CD1-CZ3 3.96Å; Y191-W207 HydrophobicContact CE1-CH2 4.19Å; Y191-W207 HydrophobicContact CE1-CZ3 4.27Å
192	G	96	Very high	95.7	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-57.4	-43.8	175.2	0	0	0	0	0	112.5	A188 L189 V190 M194 Q195 Y196 I202	A188-G192 PolarHBondContact O-N 3.29Å; L189-G192 PolarHBondContact O-N 2.86Å; V190-G192 PolarHBondContact O-N 3.15Å; G192-M194 VanDerWaalsContact C-N 3.32Å; G192-M194 PolarHBondContact O-N 3.43Å; G192-Q195 PolarHBondContact O-N 3.34Å; G192-Y196 WeakPolarHBondContact O-CD2 3.39Å; G192-Y196 PolarHBondContact O-N 3.39Å; G192-I202 VanDerWaalsContact C-CD1 3.48Å
193	L	95.7	Very high	95.5	Very high	61 Å²	61	66.7 Å²	66.7	32%	0.319	32%	0.323	S	S	.	.	H	α-helix	trans	-63.5	-38.7	177.5	-172	63.3	0	0	0	112.1	L189 V190 Y191 K197 V199 I202	L189-L193 PolarHBondContact O-N 2.9Å; V190-L193 PolarHBondContact O-N 3.34Å; Y191-L193 VanDerWaalsContact C-N 3.32Å; Y191-L193 PolarHBondContact O-N 3.5Å; L193-K197 VanDerWaalsContact O-CA 3.22Å; L193-K197 WeakPolarHBondContact O-CA 3.25Å; L193-K197 PolarHBondContact O-N 3.29Å; L193-V199 HydrophobicContact CD1-CG2 4.18Å; L193-I202 HydrophobicContact CB-CD1 4.36Å
194	M	96.4	Very high	95.4	Very high	139 Å²	139	63 Å²	63	69%	0.685	30%	0.303	S	S	*	.	H	α-helix	trans	-65.9	-38.4	176.4	-68.7	177.5	68.6	0	0	112.6	V190 Y191 G192	V190-M194 HydrophobicContact CG1-CG 4.48Å; V190-M194 HydrophobicContact CG1-SD 4.15Å; V190-M194 WeakPolarHBondContact O-CG 3.38Å; V190-M194 PolarHBondContact O-N 3.27Å; Y191-M194 PolarHBondContact O-N 3.36Å; G192-M194 VanDerWaalsContact C-N 3.32Å; G192-M194 PolarHBondContact O-N 3.43Å
195	Q	95.3	Very high	95.3	Very high	113 Å²	113	58.8 Å²	58.8	53%	0.528	29%	0.287	S	S	.	.	H	α-helix	trans	-78.1	-49.8	-177.8	-66.2	-56.7	-41.1	0	0	113	Y191 G192	Y191-Q195 HydrophobicContact CD1-CG 4.4Å; Y191-Q195 HydrophobicContact CD2-CG 4.23Å; Y191-Q195 HydrophobicContact CE1-CG 3.94Å; Y191-Q195 HydrophobicContact CE2-CG 3.75Å; Y191-Q195 WeakPolarHBondContact O-CG 3.4Å; Y191-Q195 PolarHBondContact O-N 3.01Å; G192-Q195 PolarHBondContact O-N 3.34Å
196	Y	94.1	Very high	95.1	Very high	98 Å²	98	65.8 Å²	65.8	38%	0.384	32%	0.32	S	S	.	.	H	α-helix	trans	-94.2	-15.3	-172	-64.8	-87.1	0	0	0	113.9	G192 E198 K201 I202 W207	G192-Y196 WeakPolarHBondContact O-CD2 3.39Å; G192-Y196 PolarHBondContact O-N 3.39Å; Y196-E198 PolarHBondContact O-N 3.2Å; Y196-K201 HydrophobicContact CD1-CB 4.06Å; Y196-K201 HydrophobicContact CG-CB 4.36Å; Y196-I202 HydrophobicContact CD2-CB 4.32Å; Y196-I202 HydrophobicContact CD2-CG1 3.96Å; Y196-I202 HydrophobicContact CD2-CG2 4.29Å; Y196-I202 HydrophobicContact CG-CG1 4.16Å; Y196-W207 AromaticContact CE2-CH2 3.75Å; Y196-W207 HydrophobicContact CE2-CH2 3.75Å; Y196-W207 HydrophobicContact CE2-CZ2 4.34Å
197	K	90.5	Very high	95.1	Very high	173 Å²	173	69.1 Å²	69.1	75%	0.752	33%	0.33	S	S	*	.	S	Bend	trans	62.4	-28	-176	-55.4	-176.8	-180	-179.3	0	115.9	L193	L193-K197 VanDerWaalsContact O-CA 3.22Å; L193-K197 WeakPolarHBondContact O-CA 3.25Å; L193-K197 PolarHBondContact O-N 3.29Å
198	E	90.8	Very high	95	Very high	86 Å²	86	67.4 Å²	67.4	40%	0.402	31%	0.312	S	S	.	.	S	Bend	trans	-120.7	127.2	-177.3	-65.6	171.7	-110.7	0	0	110.4	Y196 H200 K201	Y196-E198 PolarHBondContact O-N 3.2Å; E198-H200 VanDerWaalsContact C-N 3.32Å; E198-H200 PolarHBondContact O-N 2.84Å; E198-H200 IonicContact OE2-CE1 3Å; E198-H200 PolarHBondContact OE2-CE1 2.88Å; E198-H200 IonicContact OE2-ND1 3.99Å; E198-H200 IonicContact OE2-NE2 3.78Å; E198-K201 HydrophobicContact CB-CD 4.18Å; E198-K201 HydrophobicContact CB-CG 4.34Å; E198-K201 PolarHBondContact O-N 3.27Å; E198-K201 VanDerWaalsContact O-N 3.11Å; E198-K201 IonicContact OE1-NZ 3.52Å; E198-K201 PolarHBondContact OE1-NZ 3.27Å; E198-K201 IonicContact OE2-NZ 3.21Å
199	V	92.3	Very high	95	Very high	17 Å²	17	67.2 Å²	67.2	10%	0.103	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-56.7	-41.3	-171.8	172.2	0	0	0	0	113.5	L193 K201 I202 Y267 W268	L193-V199 HydrophobicContact CD1-CG2 4.18Å; V199-K201 PolarHBondContact O-N 3.42Å; V199-K201 VanDerWaalsContact O-N 3.16Å; V199-I202 WeakPolarHBondContact O-CB 3.49Å; V199-I202 PolarHBondContact O-N 3.19Å; V199-I202 VanDerWaalsContact O-N 3.09Å; V199-Y267 HydrophobicContact CB-CD1 4.45Å; V199-Y267 HydrophobicContact CB-CG 4.49Å; V199-Y267 VanDerWaalsContact CG1-CB 3.48Å; V199-Y267 HydrophobicContact CG1-CD1 3.68Å; V199-Y267 HydrophobicContact CG1-CD2 3.87Å; V199-Y267 HydrophobicContact CG1-CE1 4.43Å; V199-Y267 HydrophobicContact CG1-CG 3.38Å; V199-Y267 HydrophobicContact CG2-CD1 3.85Å; V199-Y267 HydrophobicContact CG2-CE1 3.9Å; V199-Y267 HydrophobicContact CG2-CG 4.34Å; V199-W268 HydrophobicContact CG2-CZ2 4.42Å
200	H	89.7	Confident	95	Very high	113 Å²	113	73.6 Å²	73.6	52%	0.523	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-68	-14.7	-176.2	67.3	-93.7	0	0	0	113.8	E198	E198-H200 VanDerWaalsContact C-N 3.32Å; E198-H200 PolarHBondContact O-N 2.84Å; E198-H200 IonicContact OE2-CE1 3Å; E198-H200 PolarHBondContact OE2-CE1 2.88Å; E198-H200 IonicContact OE2-ND1 3.99Å; E198-H200 IonicContact OE2-NE2 3.78Å
201	K	91.7	Very high	95	Very high	103 Å²	103	76.1 Å²	76.1	45%	0.448	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-90	-12.4	176.7	-61.5	-179.7	-178.4	167.8	0	112.5	Y196 E198 V199	Y196-K201 HydrophobicContact CD1-CB 4.06Å; Y196-K201 HydrophobicContact CG-CB 4.36Å; E198-K201 HydrophobicContact CB-CD 4.18Å; E198-K201 HydrophobicContact CB-CG 4.34Å; E198-K201 PolarHBondContact O-N 3.27Å; E198-K201 VanDerWaalsContact O-N 3.11Å; E198-K201 IonicContact OE1-NZ 3.52Å; E198-K201 PolarHBondContact OE1-NZ 3.27Å; E198-K201 IonicContact OE2-NZ 3.21Å; V199-K201 PolarHBondContact O-N 3.42Å; V199-K201 VanDerWaalsContact O-N 3.16Å
202	I	93.5	Very high	95	Very high	8 Å²	8	70 Å²	70	4%	0.041	32%	0.322	C	S	.	.			trans	-83.6	125.9	-176.7	-50	169.1	0	0	0	108.4	G192 L193 Y196 V199 F204 W207 Y267	G192-I202 VanDerWaalsContact C-CD1 3.48Å; L193-I202 HydrophobicContact CB-CD1 4.36Å; Y196-I202 HydrophobicContact CD2-CB 4.32Å; Y196-I202 HydrophobicContact CD2-CG1 3.96Å; Y196-I202 HydrophobicContact CD2-CG2 4.29Å; Y196-I202 HydrophobicContact CG-CG1 4.16Å; V199-I202 WeakPolarHBondContact O-CB 3.49Å; V199-I202 PolarHBondContact O-N 3.19Å; V199-I202 VanDerWaalsContact O-N 3.09Å; I202-F204 HydrophobicContact CB-CB 4.34Å; I202-F204 HydrophobicContact CG2-CB 3.81Å; I202-F204 WeakPolarHBondContact O-CD1 3.38Å; I202-F204 PolarHBondContact O-N 2.96Å; I202-W207 HydrophobicContact CG2-CE3 4.48Å; I202-W207 HydrophobicContact CG2-CZ3 4.24Å; I202-Y267 HydrophobicContact CD1-CD2 4.47Å; I202-Y267 HydrophobicContact CD1-CE2 3.84Å
203	P	94.6	Very high	95.1	Very high	39 Å²	39	71.4 Å²	71.4	25%	0.253	33%	0.331	S	S	.	.			trans	-76.5	49.9	169.9	33.5	-35.3	0	0	0	111	Y205 E206 W207	P203-Y205 VanDerWaalsContact C-N 3.29Å; P203-Y205 PolarHBondContact O-N 3.42Å; P203-E206 PolarHBondContact O-N 3.23Å; P203-W207 HydrophobicContact CG-CD2 4.31Å; P203-W207 HydrophobicContact CG-CH2 4.39Å; P203-W207 HydrophobicContact CG-CZ2 3.64Å; P203-W207 PolarHBondContact O-N 3.11Å
204	F	96.2	Very high	95.2	Very high	2 Å²	2	73 Å²	73	1%	0.009	34%	0.335	C	S	.	.	H	α-helix	trans	-64.3	-34.8	-168.5	70.7	-91.1	0	0	0	112.5	L189 I202 W207 T208 H261 T266 Y267 F270	L189-F204 HydrophobicContact CD2-CB 3.74Å; L189-F204 HydrophobicContact CD2-CD2 4.13Å; L189-F204 HydrophobicContact CD2-CG 4.26Å; I202-F204 HydrophobicContact CB-CB 4.34Å; I202-F204 HydrophobicContact CG2-CB 3.81Å; I202-F204 WeakPolarHBondContact O-CD1 3.38Å; I202-F204 PolarHBondContact O-N 2.96Å; F204-W207 PolarHBondContact O-N 3.26Å; F204-T208 WeakPolarHBondContact O-CB 3.39Å; F204-T208 WeakPolarHBondContact O-CG2 3.07Å; F204-T208 PolarHBondContact O-N 3.09Å; F204-T208 PolarHBondContact O-OG1 3.34Å; F204-H261 WeakPolarHBondContact CE1-O 3.43Å; F204-H261 VanDerWaalsContact CZ-O 3.26Å; F204-H261 WeakPolarHBondContact CZ-O 3.22Å; F204-T266 HydrophobicContact CE2-CG2 4.09Å; F204-T266 HydrophobicContact CZ-CG2 4.36Å; F204-Y267 HydrophobicContact CB-CD2 3.87Å; F204-Y267 HydrophobicContact CB-CE2 4.31Å; F204-Y267 AromaticContact CD1-CD2 3.81Å; F204-Y267 HydrophobicContact CD1-CD2 3.81Å; F204-Y267 HydrophobicContact CD1-CG 4.44Å; F204-Y267 HydrophobicContact CD2-CD2 4.1Å; F204-Y267 HydrophobicContact CE1-CD2 4.43Å; F204-Y267 AromaticContact CG-CD2 3.65Å; F204-Y267 HydrophobicContact CG-CD2 3.65Å; F204-Y267 HydrophobicContact CG-CG 4.48Å; F204-F270 HydrophobicContact CD2-CD2 4.27Å; F204-F270 HydrophobicContact CE2-CD2 4.17Å; F204-F270 HydrophobicContact CE2-CE2 4.4Å
205	Y	96.8	Very high	95.3	Very high	30 Å²	30	66.3 Å²	66.3	12%	0.118	30%	0.303	C	S	.	.	H	α-helix	trans	-62.6	-51.1	-179.1	179.4	-90.7	0	0	0	110.6	P203 W207 T208 I209 V254 L255 H261 F270	P203-Y205 VanDerWaalsContact C-N 3.29Å; P203-Y205 PolarHBondContact O-N 3.42Å; Y205-W207 PolarHBondContact O-N 2.7Å; Y205-T208 PolarHBondContact O-N 3.23Å; Y205-T208 VanDerWaalsContact O-N 3.14Å; Y205-I209 HydrophobicContact CD1-CB 4.35Å; Y205-I209 HydrophobicContact CD1-CG2 4.17Å; Y205-I209 HydrophobicContact CD2-CB 4.25Å; Y205-I209 HydrophobicContact CD2-CD1 4.22Å; Y205-I209 HydrophobicContact CD2-CG1 4.37Å; Y205-I209 HydrophobicContact CE1-CB 4.12Å; Y205-I209 HydrophobicContact CE1-CG1 4.19Å; Y205-I209 HydrophobicContact CE1-CG2 3.87Å; Y205-I209 HydrophobicContact CE2-CB 4.02Å; Y205-I209 HydrophobicContact CE2-CD1 3.55Å; Y205-I209 HydrophobicContact CE2-CG1 3.67Å; Y205-I209 HydrophobicContact CG-CB 4.42Å; Y205-I209 WeakPolarHBondContact O-CB 3.15Å; Y205-I209 VanDerWaalsContact O-CG2 3.23Å; Y205-I209 WeakPolarHBondContact O-CG2 3.3Å; Y205-I209 PolarHBondContact O-N 2.79Å; Y205-V254 HydrophobicContact CD2-CG1 4.43Å; Y205-V254 HydrophobicContact CE2-CG1 3.91Å; Y205-L255 VanDerWaalsContact OH-CD2 3.3Å; Y205-L255 WeakPolarHBondContact OH-CD2 3.4Å; Y205-H261 VanDerWaalsContact CB-O 3.31Å; Y205-H261 WeakPolarHBondContact CB-O 3.44Å; Y205-H261 HydrophobicContact CD1-CB 3.87Å; Y205-H261 AromaticContact CD1-CG 3.75Å; Y205-H261 AromaticContact CD1-ND1 3.78Å; Y205-H261 HydrophobicContact CD2-CB 3.97Å; Y205-H261 AromaticContact CD2-CD2 3.88Å; Y205-H261 AromaticContact CD2-CG 3.88Å; Y205-H261 HydrophobicContact CE1-CB 4.26Å; Y205-H261 AromaticContact CE1-CD2 3.96Å; Y205-H261 AromaticContact CE1-CE1 3.57Å; Y205-H261 AromaticContact CE1-CG 3.61Å; Y205-H261 AromaticContact CE1-ND1 3.34Å; Y205-H261 VanDerWaalsContact CE1-ND1 3.34Å; Y205-H261 WeakPolarHBondContact CE1-ND1 3.36Å; Y205-H261 AromaticContact CE1-NE2 3.96Å; Y205-H261 HydrophobicContact CE2-CB 4.34Å; Y205-H261 AromaticContact CE2-CD2 3.39Å; Y205-H261 WeakPolarHBondContact CE2-CD2 3.3Å; Y205-H261 AromaticContact CE2-CG 3.74Å; Y205-H261 AromaticContact CE2-NE2 3.75Å; Y205-H261 HydrophobicContact CG-CB 3.71Å; Y205-H261 AromaticContact CG-CG 3.87Å; Y205-H261 AromaticContact CZ-CD2 3.43Å; Y205-H261 VanDerWaalsContact CZ-CD2 3.43Å; Y205-H261 AromaticContact CZ-CE1 3.43Å; Y205-H261 VanDerWaalsContact CZ-CE1 3.43Å; Y205-H261 AromaticContact CZ-CG 3.59Å; Y205-H261 AromaticContact CZ-ND1 3.57Å; Y205-H261 AromaticContact CZ-NE2 3.35Å; Y205-H261 PolarHBondContact OH-CE1 3.12Å; Y205-H261 VanDerWaalsContact OH-CE1 3.29Å; Y205-H261 PolarHBondContact OH-NE2 3.04Å; Y205-H261 VanDerWaalsContact OH-NE2 3.16Å; Y205-F270 HydrophobicContact CD2-CE2 4.27Å
206	E	96	Very high	95.3	Very high	148 Å²	148	61 Å²	61	69%	0.692	28%	0.278	S	S	*	.	H	α-helix	trans	-59.3	-36.2	178.8	-64.8	175.9	-167	0	0	112.1	P203	P203-E206 PolarHBondContact O-N 3.23Å
207	W	96.6	Very high	95.4	Very high	82 Å²	82	60.6 Å²	60.6	31%	0.311	28%	0.281	S	S	.	.	H	α-helix	trans	-74.6	-29.1	179.5	-64.9	-3.4	0	0	0	113.8	Y184 Y191 Y196 I202 P203 F204 Y205	Y184-W207 WeakPolarHBondContact CE1-O 3.33Å; Y184-W207 PolarHBondContact OH-O 3.04Å; Y191-W207 HydrophobicContact CD1-CH2 4.34Å; Y191-W207 AromaticContact CD1-CZ3 3.96Å; Y191-W207 HydrophobicContact CD1-CZ3 3.96Å; Y191-W207 HydrophobicContact CE1-CH2 4.19Å; Y191-W207 HydrophobicContact CE1-CZ3 4.27Å; Y196-W207 AromaticContact CE2-CH2 3.75Å; Y196-W207 HydrophobicContact CE2-CH2 3.75Å; Y196-W207 HydrophobicContact CE2-CZ2 4.34Å; I202-W207 HydrophobicContact CG2-CE3 4.48Å; I202-W207 HydrophobicContact CG2-CZ3 4.24Å; P203-W207 HydrophobicContact CG-CD2 4.31Å; P203-W207 HydrophobicContact CG-CH2 4.39Å; P203-W207 HydrophobicContact CG-CZ2 3.64Å; P203-W207 PolarHBondContact O-N 3.11Å; F204-W207 PolarHBondContact O-N 3.26Å; Y205-W207 PolarHBondContact O-N 2.7Å
208	T	97.8	Very high	95.7	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-114	-24.7	-165.9	59.9	0	0	0	0	114.4	V185 A188 L189 F204 Y205 D210 R211 L212	V185-T208 HydrophobicContact CG1-CG2 4.07Å; A188-T208 HydrophobicContact CB-CG2 3.92Å; L189-T208 HydrophobicContact CD2-CG2 4.13Å; L189-T208 HydrophobicContact CG-CG2 4.23Å; F204-T208 WeakPolarHBondContact O-CB 3.39Å; F204-T208 WeakPolarHBondContact O-CG2 3.07Å; F204-T208 PolarHBondContact O-N 3.09Å; F204-T208 PolarHBondContact O-OG1 3.34Å; Y205-T208 PolarHBondContact O-N 3.23Å; Y205-T208 VanDerWaalsContact O-N 3.14Å; T208-D210 PolarHBondContact O-N 3.41Å; T208-R211 PolarHBondContact O-N 3.36Å; T208-L212 WeakPolarHBondContact O-CB 3.18Å; T208-L212 PolarHBondContact O-N 3.24Å
209	I	97.7	Very high	95.8	Very high	12 Å²	12	50.3 Å²	50.3	6%	0.062	24%	0.237	C	C	.	.	H	α-helix	trans	-64.2	-45.6	-165.1	-168.6	63.7	0	0	0	113.1	Y205 R211 L212 V213 L250 L255 F270	Y205-I209 HydrophobicContact CD1-CB 4.35Å; Y205-I209 HydrophobicContact CD1-CG2 4.17Å; Y205-I209 HydrophobicContact CD2-CB 4.25Å; Y205-I209 HydrophobicContact CD2-CD1 4.22Å; Y205-I209 HydrophobicContact CD2-CG1 4.37Å; Y205-I209 HydrophobicContact CE1-CB 4.12Å; Y205-I209 HydrophobicContact CE1-CG1 4.19Å; Y205-I209 HydrophobicContact CE1-CG2 3.87Å; Y205-I209 HydrophobicContact CE2-CB 4.02Å; Y205-I209 HydrophobicContact CE2-CD1 3.55Å; Y205-I209 HydrophobicContact CE2-CG1 3.67Å; Y205-I209 HydrophobicContact CG-CB 4.42Å; Y205-I209 WeakPolarHBondContact O-CB 3.15Å; Y205-I209 VanDerWaalsContact O-CG2 3.23Å; Y205-I209 WeakPolarHBondContact O-CG2 3.3Å; Y205-I209 PolarHBondContact O-N 2.79Å; I209-R211 VanDerWaalsContact C-N 3.26Å; I209-R211 PolarHBondContact O-N 3.33Å; I209-L212 PolarHBondContact O-N 3.42Å; I209-L212 VanDerWaalsContact O-N 3.13Å; I209-V213 HydrophobicContact CD1-CG2 4.15Å; I209-V213 HydrophobicContact CG1-CG2 4.17Å; I209-V213 WeakPolarHBondContact O-CB 3.41Å; I209-V213 WeakPolarHBondContact O-CG2 3.46Å; I209-V213 PolarHBondContact O-N 2.85Å; I209-L250 HydrophobicContact CD1-CD1 3.8Å; I209-L255 HydrophobicContact CD1-CD2 3.53Å; I209-L255 HydrophobicContact CD1-CG 4.45Å; I209-L255 HydrophobicContact CG1-CD2 3.47Å; I209-L255 VanDerWaalsContact CG1-CD2 3.47Å; I209-F270 HydrophobicContact CD1-CE2 4.23Å; I209-F270 HydrophobicContact CD1-CZ 4.04Å
210	D	97.7	Very high	95.8	Very high	134 Å²	134	53.8 Å²	53.8	72%	0.717	25%	0.254	S	S	*	.	H	α-helix	trans	-60.1	-41.8	-179.1	-67.3	-23.3	0	0	0	111	T208 F214	T208-D210 PolarHBondContact O-N 3.41Å; D210-F214 WeakPolarHBondContact O-CB 2.93Å; D210-F214 PolarHBondContact O-N 2.95Å; D210-F214 VanDerWaalsContact O-N 3.09Å
211	R	98.1	Very high	95.9	Very high	111 Å²	111	51.1 Å²	51.1	42%	0.419	24%	0.243	S	C	.	.	H	α-helix	trans	-68.2	-42.6	177.1	-170.3	62.3	58.8	-171.1	-1.4	111.5	Y184 V185 T208 I209 F214 V215	Y184-R211 HydrophobicContact CD1-CB 3.95Å; Y184-R211 HydrophobicContact CD1-CG 3.78Å; Y184-R211 HydrophobicContact CE1-CB 4.22Å; Y184-R211 HydrophobicContact CG-CG 4.44Å; V185-R211 HydrophobicContact CG2-CB 4.04Å; V185-R211 HydrophobicContact CG2-CG 3.98Å; T208-R211 PolarHBondContact O-N 3.36Å; I209-R211 VanDerWaalsContact C-N 3.26Å; I209-R211 PolarHBondContact O-N 3.33Å; R211-F214 WeakPolarHBondContact O-CB 3.26Å; R211-F214 PolarHBondContact O-N 2.82Å; R211-V215 WeakPolarHBondContact O-CG2 3.42Å; R211-V215 PolarHBondContact O-N 3.23Å
212	L	97.7	Very high	95.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.8	-43	-178.6	-171.1	64	0	0	0	111.4	Y182 V185 T208 I209 F214 V215 Q216 L250 F270 W273	Y182-L212 HydrophobicContact CD1-CD1 4.39Å; Y182-L212 HydrophobicContact CE1-CD1 3.84Å; V185-L212 HydrophobicContact CG2-CB 4.36Å; T208-L212 WeakPolarHBondContact O-CB 3.18Å; T208-L212 PolarHBondContact O-N 3.24Å; I209-L212 PolarHBondContact O-N 3.42Å; I209-L212 VanDerWaalsContact O-N 3.13Å; L212-F214 VanDerWaalsContact C-N 3.34Å; L212-V215 HydrophobicContact CD1-CG2 4.28Å; L212-V215 VanDerWaalsContact O-CG2 3.24Å; L212-V215 WeakPolarHBondContact O-CG2 3.39Å; L212-V215 PolarHBondContact O-N 3.04Å; L212-Q216 WeakPolarHBondContact O-CB 3.31Å; L212-Q216 PolarHBondContact O-N 2.95Å; L212-L250 HydrophobicContact CD2-CD1 4.08Å; L212-L250 HydrophobicContact CG-CD2 4.38Å; L212-F270 HydrophobicContact CD2-CB 4.46Å; L212-F270 HydrophobicContact CD2-CD1 3.52Å; L212-F270 HydrophobicContact CD2-CD2 3.77Å; L212-F270 HydrophobicContact CD2-CE1 3.48Å; L212-F270 VanDerWaalsContact CD2-CE1 3.48Å; L212-F270 HydrophobicContact CD2-CE2 3.73Å; L212-F270 HydrophobicContact CD2-CG 3.66Å; L212-F270 HydrophobicContact CD2-CZ 3.58Å; L212-W273 HydrophobicContact CD2-CE3 4.48Å
213	V	98.1	Very high	95.6	Very high	30 Å²	30	47.3 Å²	47.3	18%	0.182	23%	0.229	C	C	.	.	H	α-helix	trans	-60	-45.7	173.6	167.3	0	0	0	0	110.7	I209 Q216 I217 L250 F251 L255	I209-V213 HydrophobicContact CD1-CG2 4.15Å; I209-V213 HydrophobicContact CG1-CG2 4.17Å; I209-V213 WeakPolarHBondContact O-CB 3.41Å; I209-V213 WeakPolarHBondContact O-CG2 3.46Å; I209-V213 PolarHBondContact O-N 2.85Å; V213-Q216 PolarHBondContact O-N 2.89Å; V213-I217 HydrophobicContact CG1-CD1 3.78Å; V213-I217 HydrophobicContact CG1-CG1 4.42Å; V213-I217 WeakPolarHBondContact O-CG1 3.06Å; V213-I217 PolarHBondContact O-N 3.15Å; V213-L250 HydrophobicContact CG2-CD2 4.21Å; V213-F251 HydrophobicContact CG1-CE1 3.94Å; V213-F251 HydrophobicContact CG1-CZ 4.3Å; V213-F251 HydrophobicContact CG2-CE1 4.32Å; V213-L255 HydrophobicContact CG2-CD1 3.84Å; V213-L255 HydrophobicContact CG2-CD2 4Å; V213-L255 HydrophobicContact CG2-CG 4.4Å
214	F	98.2	Very high	95.4	Very high	93 Å²	93	49.6 Å²	49.6	41%	0.408	24%	0.238	S	C	.	.	H	α-helix	trans	-58.1	-51.4	178.5	174.3	-101	0	0	0	112.6	V177 D210 R211 L212 Q216 I217 L218	V177-F214 HydrophobicContact CG1-CE1 4.04Å; V177-F214 HydrophobicContact CG1-CZ 4.49Å; D210-F214 WeakPolarHBondContact O-CB 2.93Å; D210-F214 PolarHBondContact O-N 2.95Å; D210-F214 VanDerWaalsContact O-N 3.09Å; R211-F214 WeakPolarHBondContact O-CB 3.26Å; R211-F214 PolarHBondContact O-N 2.82Å; L212-F214 VanDerWaalsContact C-N 3.34Å; F214-Q216 VanDerWaalsContact C-N 3.31Å; F214-Q216 PolarHBondContact O-N 3.14Å; F214-I217 PolarHBondContact O-N 2.65Å; F214-L218 HydrophobicContact CD1-CD1 4.11Å; F214-L218 HydrophobicContact CE1-CD1 3.46Å; F214-L218 VanDerWaalsContact CE1-CD1 3.46Å; F214-L218 HydrophobicContact CE1-CG 4.47Å; F214-L218 HydrophobicContact CE2-CD1 4.08Å; F214-L218 HydrophobicContact CE2-CG 4.45Å; F214-L218 HydrophobicContact CZ-CD1 3.45Å; F214-L218 VanDerWaalsContact CZ-CD1 3.45Å; F214-L218 HydrophobicContact CZ-CG 4.29Å; F214-L218 WeakPolarHBondContact O-CG 3.22Å; F214-L218 PolarHBondContact O-N 3.07Å; F214-L218 VanDerWaalsContact O-N 3.08Å
215	V	97.8	Very high	95.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-67.3	-32	179	-63.9	0	0	0	0	112.7	Q178 Y182 R211 L212 L218 S219	Q178-V215 PolarHBondContact NE2-O 2.93Å; Y182-V215 HydrophobicContact CD1-CG2 4.19Å; Y182-V215 HydrophobicContact CD2-CB 4.25Å; Y182-V215 HydrophobicContact CD2-CG2 4.13Å; Y182-V215 HydrophobicContact CE1-CG2 3.74Å; Y182-V215 HydrophobicContact CE2-CB 3.82Å; Y182-V215 HydrophobicContact CE2-CG2 3.68Å; Y182-V215 HydrophobicContact CG-CG2 4.39Å; Y182-V215 VanDerWaalsContact CZ-CG2 3.48Å; R211-V215 WeakPolarHBondContact O-CG2 3.42Å; R211-V215 PolarHBondContact O-N 3.23Å; L212-V215 HydrophobicContact CD1-CG2 4.28Å; L212-V215 VanDerWaalsContact O-CG2 3.24Å; L212-V215 WeakPolarHBondContact O-CG2 3.39Å; L212-V215 PolarHBondContact O-N 3.04Å; V215-L218 PolarHBondContact O-N 3.13Å; V215-S219 PolarHBondContact O-N 3.26Å; V215-S219 PolarHBondContact O-OG 3.2Å
216	Q	95.7	Very high	94.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-71.6	-33.8	177.8	-168.3	65.5	31.7	0	0	112.7	Y182 L212 V213 F214 S219 S247 L250 F251	Y182-Q216 PolarHBondContact OH-OE1 3.22Å; L212-Q216 WeakPolarHBondContact O-CB 3.31Å; L212-Q216 PolarHBondContact O-N 2.95Å; V213-Q216 PolarHBondContact O-N 2.89Å; F214-Q216 VanDerWaalsContact C-N 3.31Å; F214-Q216 PolarHBondContact O-N 3.14Å; Q216-S219 WeakPolarHBondContact CA-OG 3.41Å; Q216-S219 PolarHBondContact O-OG 3.37Å; Q216-S247 PolarHBondContact NE2-OG 2.8Å; Q216-L250 HydrophobicContact CB-CD2 3.83Å; Q216-L250 HydrophobicContact CG-CD2 3.8Å; Q216-F251 HydrophobicContact CB-CE2 4.35Å; Q216-F251 HydrophobicContact CB-CZ 4.35Å; Q216-F251 HydrophobicContact CG-CE2 3.74Å; Q216-F251 HydrophobicContact CG-CZ 4.23Å
217	I	96.7	Very high	94.3	Very high	91 Å²	91	49.5 Å²	49.5	47%	0.467	24%	0.24	S	C	.	.	H	α-helix	trans	-68.4	-44.5	171.2	-70.1	170.1	0	0	0	109.5	V213 F214 S219 I220 F251	V213-I217 HydrophobicContact CG1-CD1 3.78Å; V213-I217 HydrophobicContact CG1-CG1 4.42Å; V213-I217 WeakPolarHBondContact O-CG1 3.06Å; V213-I217 PolarHBondContact O-N 3.15Å; F214-I217 PolarHBondContact O-N 2.65Å; I217-S219 VanDerWaalsContact C-N 3.25Å; I217-S219 PolarHBondContact O-N 3.1Å; I217-I220 VanDerWaalsContact O-CB 3.31Å; I217-I220 WeakPolarHBondContact O-CB 3.33Å; I217-I220 WeakPolarHBondContact O-CG1 3.16Å; I217-I220 PolarHBondContact O-N 2.63Å; I217-F251 HydrophobicContact CG1-CE1 4.49Å; I217-F251 HydrophobicContact CG1-CZ 3.88Å
218	L	96.4	Very high	93.9	Very high	42 Å²	42	50 Å²	50	22%	0.22	25%	0.249	C	C	.	.	H	α-helix	trans	-63.7	-29.2	178	-73.8	-177.8	0	0	0	113.1	V177 F214 V215 I220 L221	V177-L218 HydrophobicContact CG1-CD1 3.89Å; F214-L218 HydrophobicContact CD1-CD1 4.11Å; F214-L218 HydrophobicContact CE1-CD1 3.46Å; F214-L218 VanDerWaalsContact CE1-CD1 3.46Å; F214-L218 HydrophobicContact CE1-CG 4.47Å; F214-L218 HydrophobicContact CE2-CD1 4.08Å; F214-L218 HydrophobicContact CE2-CG 4.45Å; F214-L218 HydrophobicContact CZ-CD1 3.45Å; F214-L218 VanDerWaalsContact CZ-CD1 3.45Å; F214-L218 HydrophobicContact CZ-CG 4.29Å; F214-L218 WeakPolarHBondContact O-CG 3.22Å; F214-L218 PolarHBondContact O-N 3.07Å; F214-L218 VanDerWaalsContact O-N 3.08Å; V215-L218 PolarHBondContact O-N 3.13Å; L218-I220 PolarHBondContact O-N 3.04Å; L218-L221 HydrophobicContact CD2-CD1 4.43Å; L218-L221 VanDerWaalsContact O-CB 3.3Å; L218-L221 WeakPolarHBondContact O-CB 3.34Å; L218-L221 WeakPolarHBondContact O-CG 3.21Å; L218-L221 PolarHBondContact O-N 3.5Å
219	S	93.3	Very high	93.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-9.7	179.3	60.1	0	0	0	0	113.6	V215 Q216 I217 L221 E222 P223 L243	V215-S219 PolarHBondContact O-N 3.26Å; V215-S219 PolarHBondContact O-OG 3.2Å; Q216-S219 WeakPolarHBondContact CA-OG 3.41Å; Q216-S219 PolarHBondContact O-OG 3.37Å; I217-S219 VanDerWaalsContact C-N 3.25Å; I217-S219 PolarHBondContact O-N 3.1Å; S219-L221 PolarHBondContact O-N 2.72Å; S219-E222 WeakPolarHBondContact CB-OE1 3.45Å; S219-E222 WeakPolarHBondContact O-CB 3.28Å; S219-E222 PolarHBondContact O-N 3.21Å; S219-P223 VanDerWaalsContact O-CD 3.31Å; S219-P223 WeakPolarHBondContact O-CD 3.15Å; S219-L243 WeakPolarHBondContact OG-CD1 3.25Å
220	I	91.1	Very high	92.7	Very high	90 Å²	90	57 Å²	57	46%	0.462	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-27.1	165.7	-61.4	171.4	0	0	0	111.5	I217 L218 E222 P223 L243	I217-I220 VanDerWaalsContact O-CB 3.31Å; I217-I220 WeakPolarHBondContact O-CB 3.33Å; I217-I220 WeakPolarHBondContact O-CG1 3.16Å; I217-I220 PolarHBondContact O-N 2.63Å; L218-I220 PolarHBondContact O-N 3.04Å; I220-E222 PolarHBondContact O-N 3Å; I220-P223 WeakPolarHBondContact O-CD 3.28Å; I220-L243 HydrophobicContact CG1-CD2 4.35Å
221	L	92.7	Very high	91.8	Very high	57 Å²	57	53.7 Å²	53.7	30%	0.298	27%	0.274	S	S	.	.	H	α-helix	trans	-68.5	-21	174.6	-60.4	177.8	0	0	0	112.5	F174 L218 S219 L224 H225	F174-L221 HydrophobicContact CD2-CD1 4.28Å; F174-L221 HydrophobicContact CE2-CB 3.9Å; F174-L221 HydrophobicContact CE2-CD1 3.94Å; F174-L221 HydrophobicContact CE2-CG 4.47Å; F174-L221 HydrophobicContact CZ-CB 4.25Å; L218-L221 HydrophobicContact CD2-CD1 4.43Å; L218-L221 VanDerWaalsContact O-CB 3.3Å; L218-L221 WeakPolarHBondContact O-CB 3.34Å; L218-L221 WeakPolarHBondContact O-CG 3.21Å; L218-L221 PolarHBondContact O-N 3.5Å; S219-L221 PolarHBondContact O-N 2.72Å; L221-L224 HydrophobicContact CD2-CD1 4.05Å; L221-L224 WeakPolarHBondContact O-CB 3.48Å; L221-L224 PolarHBondContact O-N 3.24Å; L221-H225 PolarHBondContact O-CD2 2.95Å; L221-H225 PolarHBondContact O-N 2.91Å; L221-H225 PolarHBondContact O-ND1 3.49Å
222	E	90.9	Very high	90.3	Very high	10 Å²	10	57 Å²	57	5%	0.047	29%	0.286	C	S	.	.	H	α-helix	trans	-66.1	-50.9	-177.4	-65.3	173.4	-140.6	0	0	113.1	F174 S219 I220 L224 H225 A226 V239 R280 Y281	F174-E222 HydrophobicContact CE1-CG 4.02Å; F174-E222 HydrophobicContact CZ-CG 3.94Å; S219-E222 WeakPolarHBondContact CB-OE1 3.45Å; S219-E222 WeakPolarHBondContact O-CB 3.28Å; S219-E222 PolarHBondContact O-N 3.21Å; I220-E222 PolarHBondContact O-N 3Å; E222-L224 PolarHBondContact O-N 2.88Å; E222-H225 PolarHBondContact O-N 3.45Å; E222-A226 PolarHBondContact O-N 2.76Å; E222-V239 HydrophobicContact CB-CG1 4.28Å; E222-R280 VanDerWaalsContact CD-NH2 3.32Å; E222-R280 IonicContact OE1-CZ 3.15Å; E222-R280 IonicContact OE1-NH1 2.93Å; E222-R280 IonicContact OE1-NH2 3.1Å; E222-R280 PolarHBondContact OE1-NH2 2.65Å; E222-R280 IonicContact OE2-CZ 2.8Å; E222-R280 VanDerWaalsContact OE2-CZ 3.29Å; E222-R280 IonicContact OE2-NH1 2.63Å; E222-R280 PolarHBondContact OE2-NH1 2.87Å; E222-R280 IonicContact OE2-NH2 3.26Å; E222-R280 PolarHBondContact OE2-NH2 3.14Å; E222-R280 VanDerWaalsContact OE2-NH2 3.14Å; E222-Y281 PolarHBondContact OE1-OH 3.28Å
223	P	88.6	Confident	88.5	Confident	21 Å²	21	61.1 Å²	61.1	14%	0.136	33%	0.33	C	S	.	.	H	α-helix	trans	-56.1	-34.4	170.2	-27	33	0	0	0	113.6	S219 I220 A226 F227 V239 V240 L243	S219-P223 VanDerWaalsContact O-CD 3.31Å; S219-P223 WeakPolarHBondContact O-CD 3.15Å; I220-P223 WeakPolarHBondContact O-CD 3.28Å; P223-A226 PolarHBondContact O-N 2.96Å; P223-F227 WeakPolarHBondContact O-CB 3.31Å; P223-F227 PolarHBondContact O-N 3.06Å; P223-V239 HydrophobicContact CG-CG1 4.41Å; P223-V240 HydrophobicContact CB-CG2 3.95Å; P223-V240 HydrophobicContact CG-CG2 4.13Å; P223-L243 HydrophobicContact CG-CD2 3.63Å
224	L	89.3	Confident	86.7	Confident	87 Å²	87	62 Å²	62	46%	0.455	35%	0.345	S	S	.	.	H	α-helix	trans	-67.6	-44.4	177.2	-66.3	174.4	0	0	0	111.2	L221 E222 A226 F227 L228	L221-L224 HydrophobicContact CD2-CD1 4.05Å; L221-L224 WeakPolarHBondContact O-CB 3.48Å; L221-L224 PolarHBondContact O-N 3.24Å; E222-L224 PolarHBondContact O-N 2.88Å; L224-A226 VanDerWaalsContact C-N 3.29Å; L224-A226 PolarHBondContact O-N 3.04Å; L224-F227 PolarHBondContact O-N 3.25Å; L224-L228 WeakPolarHBondContact O-CB 3.35Å; L224-L228 VanDerWaalsContact O-CG 3.25Å; L224-L228 WeakPolarHBondContact O-CG 3.31Å; L224-L228 PolarHBondContact O-N 3.32Å
225	H	91.4	Very high	84.9	Confident	4 Å²	4	62 Å²	62	2%	0.019	36%	0.356	C	S	.	.	H	α-helix	trans	-60.3	-40.8	173.9	-59.1	156	0	0	0	111.7	Y170 F174 L221 E222 G229 W230 I231	Y170-H225 AromaticContact CE1-CE1 3.94Å; Y170-H225 AromaticContact CE1-NE2 3.34Å; Y170-H225 VanDerWaalsContact CE1-NE2 3.34Å; Y170-H225 WeakPolarHBondContact CE1-NE2 3.35Å; Y170-H225 AromaticContact CZ-NE2 3.52Å; Y170-H225 PolarHBondContact OH-NE2 3.07Å; F174-H225 AromaticContact CD1-CE1 3.88Å; F174-H225 AromaticContact CD2-CE1 3.98Å; F174-H225 AromaticContact CE1-CE1 3.86Å; F174-H225 AromaticContact CE2-CE1 3.97Å; F174-H225 AromaticContact CG-CE1 3.94Å; F174-H225 AromaticContact CZ-CE1 3.91Å; L221-H225 PolarHBondContact O-CD2 2.95Å; L221-H225 PolarHBondContact O-N 2.91Å; L221-H225 PolarHBondContact O-ND1 3.49Å; E222-H225 PolarHBondContact O-N 3.45Å; H225-G229 PolarHBondContact O-N 3.37Å; H225-W230 HydrophobicContact CB-CB 4.43Å; H225-W230 HydrophobicContact CB-CE3 4.49Å; H225-W230 AromaticContact CD2-CE3 3.49Å; H225-W230 VanDerWaalsContact CD2-CE3 3.49Å; H225-W230 AromaticContact CD2-CZ3 3.74Å; H225-W230 PolarHBondContact O-N 3Å; H225-I231 HydrophobicContact CB-CD1 3.59Å; H225-I231 HydrophobicContact CB-CG1 3.9Å
226	A	87.3	Confident	83.6	Confident	20 Å²	20	65.4 Å²	65.4	17%	0.165	37%	0.374	C	S	.	.	H	α-helix	trans	-67.4	-41.1	176.9	0	0	0	0	0	111.8	E222 P223 L224 G229 I231 I236	E222-A226 PolarHBondContact O-N 2.76Å; P223-A226 PolarHBondContact O-N 2.96Å; L224-A226 VanDerWaalsContact C-N 3.29Å; L224-A226 PolarHBondContact O-N 3.04Å; A226-G229 PolarHBondContact O-N 3.37Å; A226-I231 HydrophobicContact CB-CD1 4.49Å; A226-I236 HydrophobicContact CB-CG1 3.99Å
227	F	87.2	Confident	82.7	Confident	154 Å²	154	70.9 Å²	70.9	68%	0.675	40%	0.402	S	S	*	.	H	α-helix	trans	-65.5	-39.6	176.6	178.2	-101.5	0	0	0	112.7	P223 L224 G229	P223-F227 WeakPolarHBondContact O-CB 3.31Å; P223-F227 PolarHBondContact O-N 3.06Å; L224-F227 PolarHBondContact O-N 3.25Å; F227-G229 PolarHBondContact O-N 3.48Å
228	L	88.9	Confident	81.9	Confident	93 Å²	93	70.3 Å²	70.3	49%	0.487	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-2.7	176	-65.2	173.9	0	0	0	113.3	L224 W230	L224-L228 WeakPolarHBondContact O-CB 3.35Å; L224-L228 VanDerWaalsContact O-CG 3.25Å; L224-L228 WeakPolarHBondContact O-CG 3.31Å; L224-L228 PolarHBondContact O-N 3.32Å; L228-W230 VanDerWaalsContact C-N 3.29Å; L228-W230 HydrophobicContact CB-CD2 4.1Å; L228-W230 HydrophobicContact CB-CG 4.11Å; L228-W230 HydrophobicContact CD1-CD2 4.24Å; L228-W230 HydrophobicContact CD1-CE3 4.41Å; L228-W230 HydrophobicContact CD1-CH2 3.82Å; L228-W230 HydrophobicContact CD1-CZ2 3.62Å; L228-W230 HydrophobicContact CD1-CZ3 4.21Å; L228-W230 PolarHBondContact O-N 3.06Å
229	G	84.5	Confident	81.1	Confident	58 Å²	58	69.8 Å²	69.8	60%	0.598	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	19.5	-179.9	0	0	0	0	0	114.3	H225 A226 F227 I231	H225-G229 PolarHBondContact O-N 3.37Å; A226-G229 PolarHBondContact O-N 3.37Å; F227-G229 PolarHBondContact O-N 3.48Å; G229-I231 VanDerWaalsContact C-N 3.29Å; G229-I231 PolarHBondContact O-N 3.25Å
230	W	86	Confident	80.6	Confident	101 Å²	101	72.6 Å²	72.6	38%	0.383	42%	0.42	S	S	.	.			trans	-77.4	-16.7	-179.6	-64.8	-5.4	0	0	0	113.2	L167 Y170 L171 H225 L228	L167-W230 HydrophobicContact CD1-CB 4.31Å; L167-W230 HydrophobicContact CD1-CD2 3.51Å; L167-W230 HydrophobicContact CD1-CE3 3.59Å; L167-W230 HydrophobicContact CD1-CG 3.85Å; L167-W230 HydrophobicContact CD1-CH2 4.48Å; L167-W230 HydrophobicContact CD1-CZ2 4.41Å; L167-W230 HydrophobicContact CD1-CZ3 4.09Å; L167-W230 HydrophobicContact CD2-CB 4.28Å; L167-W230 HydrophobicContact CD2-CD2 4.4Å; L167-W230 HydrophobicContact CD2-CG 3.96Å; Y170-W230 HydrophobicContact CD1-CZ3 4.25Å; Y170-W230 HydrophobicContact CE1-CE3 4.14Å; Y170-W230 AromaticContact CE1-CZ3 3.73Å; Y170-W230 HydrophobicContact CE1-CZ3 3.73Å; L171-W230 HydrophobicContact CD1-CB 4.42Å; H225-W230 HydrophobicContact CB-CB 4.43Å; H225-W230 HydrophobicContact CB-CE3 4.49Å; H225-W230 AromaticContact CD2-CE3 3.49Å; H225-W230 VanDerWaalsContact CD2-CE3 3.49Å; H225-W230 AromaticContact CD2-CZ3 3.74Å; H225-W230 PolarHBondContact O-N 3Å; L228-W230 VanDerWaalsContact C-N 3.29Å; L228-W230 HydrophobicContact CB-CD2 4.1Å; L228-W230 HydrophobicContact CB-CG 4.11Å; L228-W230 HydrophobicContact CD1-CD2 4.24Å; L228-W230 HydrophobicContact CD1-CE3 4.41Å; L228-W230 HydrophobicContact CD1-CH2 3.82Å; L228-W230 HydrophobicContact CD1-CZ2 3.62Å; L228-W230 HydrophobicContact CD1-CZ3 4.21Å; L228-W230 PolarHBondContact O-N 3.06Å
231	I	79	Confident	80.4	Confident	65 Å²	65	74.8 Å²	74.8	33%	0.333	43%	0.426	S	S	.	.	S	Bend	trans	-105.1	130.6	178.4	-58.4	170.5	0	0	0	108.8	H225 A226 G229 G233	H225-I231 HydrophobicContact CB-CD1 3.59Å; H225-I231 HydrophobicContact CB-CG1 3.9Å; A226-I231 HydrophobicContact CB-CD1 4.49Å; G229-I231 VanDerWaalsContact C-N 3.29Å; G229-I231 PolarHBondContact O-N 3.25Å; I231-G233 PolarHBondContact O-N 3.35Å
232	R	66.4	Low	80.1	Confident	180 Å²	180	74 Å²	74	68%	0.679	42%	0.421	S	S	*	.	S	Bend	trans	-68.7	119.9	177.2	-67.3	179.9	179.1	141.9	-3.2	110.5	G234	R232-G234 PolarHBondContact O-N 2.8Å
233	G	58.9	Low	80	Confident	88 Å²	88	74.4 Å²	74.4	91%	0.907	42%	0.424	S	S	*	.	S	Bend	trans	74.6	18	153.7	0	0	0	0	0	118.6	I231	I231-G233 PolarHBondContact O-N 3.35Å
234	G	60.1	Low	80.1	Confident	49 Å²	49	79.9 Å²	79.9	51%	0.505	45%	0.446	S	S	.	.			trans	-94.4	131.4	178.9	0	0	0	0	0	113.7	R232 I236	R232-G234 PolarHBondContact O-N 2.8Å; G234-I236 PolarHBondContact O-N 3.37Å
235	S	60.7	Low	80.1	Confident	92 Å²	92	76.8 Å²	76.8	64%	0.643	43%	0.434	S	S	*	.			trans	-61.5	121.6	161.4	-64	0	0	0	0	109.1	L237 P238	S235-L237 PolarHBondContact O-N 3.08Å; S235-P238 WeakPolarHBondContact O-CD 3.41Å
236	I	69.6	Low	80.1	Confident	72 Å²	72	77 Å²	77	37%	0.369	44%	0.435	S	S	.	.	H	α-helix	trans	-62.8	-34.6	-178.1	-61.8	168.1	0	0	0	111.1	A226 G234 V239 V240	A226-I236 HydrophobicContact CB-CG1 3.99Å; G234-I236 PolarHBondContact O-N 3.37Å; I236-V239 PolarHBondContact O-N 3.22Å; I236-V240 HydrophobicContact CG2-CG2 3.88Å; I236-V240 WeakPolarHBondContact O-CG2 3.24Å; I236-V240 PolarHBondContact O-N 3.32Å; I236-V240 VanDerWaalsContact O-N 3.09Å
237	L	77	Confident	80.5	Confident	114 Å²	114	77.1 Å²	77.1	60%	0.597	44%	0.435	S	S	*	.	H	α-helix	trans	-64.5	-48.1	-167.6	-167.4	70.3	0	0	0	114	S235 V239 V240 F241	S235-L237 PolarHBondContact O-N 3.08Å; L237-V239 VanDerWaalsContact C-N 3.31Å; L237-V239 PolarHBondContact O-N 2.9Å; L237-V240 PolarHBondContact O-N 2.95Å; L237-F241 HydrophobicContact CD1-CD2 4.02Å; L237-F241 HydrophobicContact CD1-CE2 3.48Å; L237-F241 VanDerWaalsContact CD1-CE2 3.48Å; L237-F241 HydrophobicContact CD1-CZ 4.34Å; L237-F241 HydrophobicContact CD2-CE2 4.08Å; L237-F241 HydrophobicContact CG-CD2 3.81Å; L237-F241 HydrophobicContact CG-CE2 3.54Å; L237-F241 VanDerWaalsContact O-CD2 3.28Å; L237-F241 WeakPolarHBondContact O-CD2 3.22Å; L237-F241 PolarHBondContact O-N 2.92Å; L237-F241 VanDerWaalsContact O-N 3.07Å
238	P	79.7	Confident	80.7	Confident	80 Å²	80	73.6 Å²	73.6	52%	0.519	42%	0.419	S	S	.	.	H	α-helix	trans	-57.5	-39.7	173.1	-26.8	34.3	0	0	0	114.1	S235 F241 Q242	S235-P238 WeakPolarHBondContact O-CD 3.41Å; P238-F241 PolarHBondContact O-N 2.91Å; P238-Q242 WeakPolarHBondContact O-CB 3Å; P238-Q242 PolarHBondContact O-N 3.38Å
239	V	79.6	Confident	81	Confident	30 Å²	30	69.2 Å²	69.2	18%	0.182	40%	0.397	C	S	.	.	H	α-helix	trans	-63.8	-45.2	-179.6	-179.8	0	0	0	0	110.2	E222 P223 I236 L237 Q242 L243	E222-V239 HydrophobicContact CB-CG1 4.28Å; P223-V239 HydrophobicContact CG-CG1 4.41Å; I236-V239 PolarHBondContact O-N 3.22Å; L237-V239 VanDerWaalsContact C-N 3.31Å; L237-V239 PolarHBondContact O-N 2.9Å; V239-Q242 PolarHBondContact O-N 3.43Å; V239-L243 WeakPolarHBondContact O-CB 3.46Å; V239-L243 PolarHBondContact O-N 3.29Å
240	V	84.6	Confident	81.6	Confident	59 Å²	59	66.5 Å²	66.5	36%	0.358	37%	0.368	S	S	.	.	H	α-helix	trans	-62.6	-49.1	178.4	172.1	0	0	0	0	111.5	P223 I236 L237 Q242 L243 F244	P223-V240 HydrophobicContact CB-CG2 3.95Å; P223-V240 HydrophobicContact CG-CG2 4.13Å; I236-V240 HydrophobicContact CG2-CG2 3.88Å; I236-V240 WeakPolarHBondContact O-CG2 3.24Å; I236-V240 PolarHBondContact O-N 3.32Å; I236-V240 VanDerWaalsContact O-N 3.09Å; L237-V240 PolarHBondContact O-N 2.95Å; V240-Q242 VanDerWaalsContact C-N 3.34Å; V240-Q242 PolarHBondContact O-N 3.42Å; V240-L243 PolarHBondContact O-N 3.44Å; V240-F244 VanDerWaalsContact O-CB 3.3Å; V240-F244 WeakPolarHBondContact O-CB 3.31Å; V240-F244 PolarHBondContact O-N 3.31Å
241	F	87	Confident	82	Confident	136 Å²	136	64.9 Å²	64.9	60%	0.596	36%	0.364	S	S	*	.	H	α-helix	trans	-64	-40.1	179.6	-80.8	-63.8	0	0	0	112.5	L237 P238 F244 G245	L237-F241 HydrophobicContact CD1-CD2 4.02Å; L237-F241 HydrophobicContact CD1-CE2 3.48Å; L237-F241 VanDerWaalsContact CD1-CE2 3.48Å; L237-F241 HydrophobicContact CD1-CZ 4.34Å; L237-F241 HydrophobicContact CD2-CE2 4.08Å; L237-F241 HydrophobicContact CG-CD2 3.81Å; L237-F241 HydrophobicContact CG-CE2 3.54Å; L237-F241 VanDerWaalsContact O-CD2 3.28Å; L237-F241 WeakPolarHBondContact O-CD2 3.22Å; L237-F241 PolarHBondContact O-N 2.92Å; L237-F241 VanDerWaalsContact O-N 3.07Å; P238-F241 PolarHBondContact O-N 2.91Å; F241-F244 PolarHBondContact O-N 2.88Å; F241-G245 PolarHBondContact O-N 2.89Å
242	Q	85.9	Confident	82.6	Confident	42 Å²	42	64.6 Å²	64.6	20%	0.196	37%	0.367	C	S	.	.	H	α-helix	trans	-66.6	-39.3	177.9	-164.8	-169.6	22.8	0	0	111.7	P238 V239 V240 R246 Y308	P238-Q242 WeakPolarHBondContact O-CB 3Å; P238-Q242 PolarHBondContact O-N 3.38Å; V239-Q242 PolarHBondContact O-N 3.43Å; V240-Q242 VanDerWaalsContact C-N 3.34Å; V240-Q242 PolarHBondContact O-N 3.42Å; Q242-R246 VanDerWaalsContact O-CG 3.25Å; Q242-R246 WeakPolarHBondContact O-CG 3.36Å; Q242-R246 PolarHBondContact O-N 3.49Å; Q242-R246 PolarHBondContact O-NE 3.06Å; Q242-Y308 PolarHBondContact NE2-OH 3.19Å
243	L	88.8	Confident	83.9	Confident	18 Å²	18	56 Å²	56	9%	0.094	34%	0.335	C	S	.	.	H	α-helix	trans	-66.5	-45.8	174.8	179.1	70.4	0	0	0	110.9	S219 I220 P223 V239 V240 S247	S219-L243 WeakPolarHBondContact OG-CD1 3.25Å; I220-L243 HydrophobicContact CG1-CD2 4.35Å; P223-L243 HydrophobicContact CG-CD2 3.63Å; V239-L243 WeakPolarHBondContact O-CB 3.46Å; V239-L243 PolarHBondContact O-N 3.29Å; V240-L243 PolarHBondContact O-N 3.44Å; L243-S247 VanDerWaalsContact O-CB 3.25Å; L243-S247 WeakPolarHBondContact O-CB 3.06Å; L243-S247 PolarHBondContact O-N 3.35Å; L243-S247 PolarHBondContact O-OG 2.86Å
244	F	89.5	Confident	85.6	Confident	136 Å²	136	51.9 Å²	51.9	60%	0.596	29%	0.292	S	S	*	.	H	α-helix	trans	-61.7	-49.9	-178.1	179.1	-97.6	0	0	0	111.8	V240 F241 R246 S247 F248	V240-F244 VanDerWaalsContact O-CB 3.3Å; V240-F244 WeakPolarHBondContact O-CB 3.31Å; V240-F244 PolarHBondContact O-N 3.31Å; F241-F244 PolarHBondContact O-N 2.88Å; F244-R246 PolarHBondContact O-N 2.84Å; F244-S247 PolarHBondContact O-N 3.25Å; F244-F248 WeakPolarHBondContact O-CB 3.31Å; F244-F248 PolarHBondContact O-N 3.4Å
245	G	90.1	Very high	87.3	Confident	21 Å²	21	52 Å²	52	22%	0.216	28%	0.281	C	S	.	.	H	α-helix	trans	-57.6	-48.3	179.5	0	0	0	0	0	112.4	F241 F248 V249	F241-G245 PolarHBondContact O-N 2.89Å; G245-F248 PolarHBondContact O-N 2.9Å; G245-V249 WeakPolarHBondContact O-CG2 3.3Å; G245-V249 PolarHBondContact O-N 3.41Å
246	R	92.2	Very high	88.8	Confident	8 Å²	8	51.3 Å²	51.3	3%	0.03	27%	0.274	C	S	.	.	H	α-helix	trans	-63.4	-44.7	178	-66.9	-172.8	-80.7	179.9	-7.8	112.6	Q242 F244 V249 L250 W273 E277	Q242-R246 VanDerWaalsContact O-CG 3.25Å; Q242-R246 WeakPolarHBondContact O-CG 3.36Å; Q242-R246 PolarHBondContact O-N 3.49Å; Q242-R246 PolarHBondContact O-NE 3.06Å; F244-R246 PolarHBondContact O-N 2.84Å; R246-V249 PolarHBondContact O-N 2.69Å; R246-L250 WeakPolarHBondContact O-CB 3.26Å; R246-L250 PolarHBondContact O-N 3.03Å; R246-W273 HydrophobicContact CB-CH2 4.17Å; R246-W273 HydrophobicContact CB-CZ2 3.9Å; R246-W273 HydrophobicContact CG-CD2 4.12Å; R246-W273 HydrophobicContact CG-CG 4.47Å; R246-W273 HydrophobicContact CG-CH2 4.48Å; R246-W273 HydrophobicContact CG-CZ2 3.75Å; R246-W273 WeakPolarHBondContact O-CH2 3.34Å; R246-E277 IonicContact CZ-OE1 3.12Å; R246-E277 IonicContact NH1-OE1 3.84Å; R246-E277 PolarHBondContact NH1-OE1 3.03Å; R246-E277 IonicContact NH2-OE1 2.72Å; R246-E277 PolarHBondContact NH2-OE1 3.22Å
247	S	93.8	Very high	89.9	Confident	23 Å²	23	49.7 Å²	49.7	16%	0.161	27%	0.265	C	S	.	.	H	α-helix	trans	-64.4	-42.4	179.4	-56.3	0	0	0	0	111.1	Q216 L243 F244 L250 F251	Q216-S247 PolarHBondContact NE2-OG 2.8Å; L243-S247 VanDerWaalsContact O-CB 3.25Å; L243-S247 WeakPolarHBondContact O-CB 3.06Å; L243-S247 PolarHBondContact O-N 3.35Å; L243-S247 PolarHBondContact O-OG 2.86Å; F244-S247 PolarHBondContact O-N 3.25Å; S247-L250 PolarHBondContact O-N 3.45Å; S247-F251 WeakPolarHBondContact O-CB 3.46Å; S247-F251 WeakPolarHBondContact O-CD2 3.32Å; S247-F251 PolarHBondContact O-N 2.83Å
248	F	93.3	Very high	90.6	Very high	80 Å²	80	47.6 Å²	47.6	35%	0.351	26%	0.264	S	S	.	.	H	α-helix	trans	-60.7	-49.2	176.5	179.5	-100.4	0	0	0	111.4	F244 G245 L250 C252 I253	F244-F248 WeakPolarHBondContact O-CB 3.31Å; F244-F248 PolarHBondContact O-N 3.4Å; G245-F248 PolarHBondContact O-N 2.9Å; F248-L250 PolarHBondContact O-N 3.38Å; F248-C252 HydrophobicContact CD2-CB 3.99Å; F248-C252 HydrophobicContact CE2-CB 3.95Å; F248-C252 HydrophobicContact CZ-CB 4.48Å; F248-C252 WeakPolarHBondContact O-CA 3.35Å; F248-C252 WeakPolarHBondContact O-CB 3.35Å; F248-C252 PolarHBondContact O-N 3.34Å; F248-I253 HydrophobicContact CD1-CD1 4.27Å; F248-I253 HydrophobicContact CE1-CD1 3.84Å; F248-I253 HydrophobicContact CE1-CG1 4.43Å
249	V	94.7	Very high	91	Very high	2 Å²	2	49 Å²	49	1%	0.012	26%	0.263	C	S	.	.	I	π-helix	trans	-65.1	-41	179.4	176	0	0	0	0	111.4	G245 R246 I253 V254 L269 W273 E315 L318 I319	G245-V249 WeakPolarHBondContact O-CG2 3.3Å; G245-V249 PolarHBondContact O-N 3.41Å; R246-V249 PolarHBondContact O-N 2.69Å; V249-I253 HydrophobicContact CG2-CD1 4.44Å; V249-I253 WeakPolarHBondContact O-CB 3.49Å; V249-I253 PolarHBondContact O-N 3.32Å; V249-V254 HydrophobicContact CG1-CG2 4.21Å; V249-V254 WeakPolarHBondContact O-CG2 3.31Å; V249-V254 PolarHBondContact O-N 2.84Å; V249-L269 HydrophobicContact CG1-CD2 3.69Å; V249-W273 HydrophobicContact CB-CH2 4.02Å; V249-W273 HydrophobicContact CB-CZ2 4.24Å; V249-W273 HydrophobicContact CG1-CH2 4.04Å; V249-W273 HydrophobicContact CG1-CZ2 4.33Å; V249-E315 HydrophobicContact CG2-CB 4.16Å; V249-E315 HydrophobicContact CG2-CG 4.02Å; V249-L318 HydrophobicContact CG1-CD1 3.93Å; V249-I319 HydrophobicContact CG2-CD1 4.29Å; V249-I319 HydrophobicContact CG2-CG1 4.41Å
250	L	96	Very high	91.7	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.257	C	S	.	.	I	π-helix	trans	-67.4	-56.5	178.7	-175.6	64.3	0	0	0	111.9	I209 L212 V213 Q216 R246 S247 F248 V254 L255 F270 W273	I209-L250 HydrophobicContact CD1-CD1 3.8Å; L212-L250 HydrophobicContact CD2-CD1 4.08Å; L212-L250 HydrophobicContact CG-CD2 4.38Å; V213-L250 HydrophobicContact CG2-CD2 4.21Å; Q216-L250 HydrophobicContact CB-CD2 3.83Å; Q216-L250 HydrophobicContact CG-CD2 3.8Å; R246-L250 WeakPolarHBondContact O-CB 3.26Å; R246-L250 PolarHBondContact O-N 3.03Å; S247-L250 PolarHBondContact O-N 3.45Å; F248-L250 PolarHBondContact O-N 3.38Å; L250-V254 PolarHBondContact O-N 3.04Å; L250-L255 WeakPolarHBondContact O-CB 3.4Å; L250-L255 WeakPolarHBondContact O-CG 3.2Å; L250-L255 PolarHBondContact O-N 3.26Å; L250-F270 HydrophobicContact CD1-CE1 4Å; L250-F270 HydrophobicContact CD1-CZ 3.92Å; L250-W273 HydrophobicContact CB-CH2 4.38Å; L250-W273 HydrophobicContact CB-CZ3 4.22Å
251	F	95.5	Very high	92.2	Very high	67 Å²	67	47.1 Å²	47.1	29%	0.294	25%	0.249	S	C	.	.	I	π-helix	trans	-82.5	-34.3	-169.3	-66.8	-70.2	0	0	0	113.9	V213 Q216 I217 S247 L255 P256	V213-F251 HydrophobicContact CG1-CE1 3.94Å; V213-F251 HydrophobicContact CG1-CZ 4.3Å; V213-F251 HydrophobicContact CG2-CE1 4.32Å; Q216-F251 HydrophobicContact CB-CE2 4.35Å; Q216-F251 HydrophobicContact CB-CZ 4.35Å; Q216-F251 HydrophobicContact CG-CE2 3.74Å; Q216-F251 HydrophobicContact CG-CZ 4.23Å; I217-F251 HydrophobicContact CG1-CE1 4.49Å; I217-F251 HydrophobicContact CG1-CZ 3.88Å; S247-F251 WeakPolarHBondContact O-CB 3.46Å; S247-F251 WeakPolarHBondContact O-CD2 3.32Å; S247-F251 PolarHBondContact O-N 2.83Å; F251-L255 HydrophobicContact CD1-CD1 3.44Å; F251-L255 VanDerWaalsContact CD1-CD1 3.44Å; F251-L255 HydrophobicContact CE1-CD1 3.86Å; F251-L255 HydrophobicContact CG-CD1 4.37Å; F251-P256 WeakPolarHBondContact O-CD 3.25Å; F251-P256 VanDerWaalsContact O-CG 3.28Å; F251-P256 WeakPolarHBondContact O-CG 3.44Å
252	C	91.8	Very high	92.3	Very high	59 Å²	59	45.1 Å²	45.1	40%	0.399	25%	0.251	S	S	.	.	I	π-helix	trans	-96.4	-20.6	-176.4	-56.3	0	0	0	0	113.3	F248	F248-C252 HydrophobicContact CD2-CB 3.99Å; F248-C252 HydrophobicContact CE2-CB 3.95Å; F248-C252 HydrophobicContact CZ-CB 4.48Å; F248-C252 WeakPolarHBondContact O-CA 3.35Å; F248-C252 WeakPolarHBondContact O-CB 3.35Å; F248-C252 PolarHBondContact O-N 3.34Å
253	I	93.4	Very high	92.7	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	25%	0.252	C	S	.	.	I	π-helix	trans	-116.4	-58.5	-175.6	-60.1	174.2	0	0	0	111.6	F248 V249 H257 F260 L318 I319	F248-I253 HydrophobicContact CD1-CD1 4.27Å; F248-I253 HydrophobicContact CE1-CD1 3.84Å; F248-I253 HydrophobicContact CE1-CG1 4.43Å; V249-I253 HydrophobicContact CG2-CD1 4.44Å; V249-I253 WeakPolarHBondContact O-CB 3.49Å; V249-I253 PolarHBondContact O-N 3.32Å; I253-H257 WeakPolarHBondContact O-CB 3.25Å; I253-H257 PolarHBondContact O-CD2 3.44Å; I253-F260 HydrophobicContact CG2-CD2 3.8Å; I253-F260 HydrophobicContact CG2-CE2 3.62Å; I253-F260 HydrophobicContact CG2-CZ 4.4Å; I253-F260 WeakPolarHBondContact O-CD2 3.18Å; I253-L318 HydrophobicContact CG2-CB 4.33Å; I253-I319 HydrophobicContact CD1-CB 4.26Å; I253-I319 HydrophobicContact CD1-CG1 3.46Å; I253-I319 VanDerWaalsContact CD1-CG1 3.46Å
254	V	95.1	Very high	92.9	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.265	C	S	.	.	I	π-helix	trans	-73.5	-54.9	-171	176.2	0	0	0	0	111.4	Y205 V249 L250 H257 H261 T266 F270 L318	Y205-V254 HydrophobicContact CD2-CG1 4.43Å; Y205-V254 HydrophobicContact CE2-CG1 3.91Å; V249-V254 HydrophobicContact CG1-CG2 4.21Å; V249-V254 WeakPolarHBondContact O-CG2 3.31Å; V249-V254 PolarHBondContact O-N 2.84Å; L250-V254 PolarHBondContact O-N 3.04Å; V254-H257 PolarHBondContact O-N 3.41Å; V254-H261 PolarHBondContact O-CD2 3.32Å; V254-H261 PolarHBondContact O-NE2 3.36Å; V254-T266 HydrophobicContact CG1-CG2 3.74Å; V254-T266 HydrophobicContact CG2-CG2 4.17Å; V254-F270 HydrophobicContact CG1-CE1 4.45Å; V254-F270 HydrophobicContact CG1-CZ 3.93Å; V254-L318 HydrophobicContact CG2-CD1 3.96Å
255	L	94.6	Very high	93.2	Very high	52 Å²	52	40.7 Å²	40.7	27%	0.272	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-42.3	-176.9	-74.5	179.2	0	0	0	114.7	Y205 I209 V213 L250 F251 H257	Y205-L255 VanDerWaalsContact OH-CD2 3.3Å; Y205-L255 WeakPolarHBondContact OH-CD2 3.4Å; I209-L255 HydrophobicContact CD1-CD2 3.53Å; I209-L255 HydrophobicContact CD1-CG 4.45Å; I209-L255 HydrophobicContact CG1-CD2 3.47Å; I209-L255 VanDerWaalsContact CG1-CD2 3.47Å; V213-L255 HydrophobicContact CG2-CD1 3.84Å; V213-L255 HydrophobicContact CG2-CD2 4Å; V213-L255 HydrophobicContact CG2-CG 4.4Å; L250-L255 WeakPolarHBondContact O-CB 3.4Å; L250-L255 WeakPolarHBondContact O-CG 3.2Å; L250-L255 PolarHBondContact O-N 3.26Å; F251-L255 HydrophobicContact CD1-CD1 3.44Å; F251-L255 VanDerWaalsContact CD1-CD1 3.44Å; F251-L255 HydrophobicContact CE1-CD1 3.86Å; F251-L255 HydrophobicContact CG-CD1 4.37Å; L255-H257 VanDerWaalsContact C-N 3.33Å; L255-H257 PolarHBondContact O-N 3.33Å
256	P	93	Very high	93.5	Very high	77 Å²	77	39.7 Å²	39.7	50%	0.5	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-15.1	-177	-17.7	34.6	0	0	0	114.1	F251	F251-P256 WeakPolarHBondContact O-CD 3.25Å; F251-P256 VanDerWaalsContact O-CG 3.28Å; F251-P256 WeakPolarHBondContact O-CG 3.44Å
257	H	92.7	Very high	93.8	Very high	39 Å²	39	39.3 Å²	39.3	18%	0.181	23%	0.232	C	C	.	.			trans	-122.8	98.8	-168.7	-59.7	-53.7	0	0	0	111.7	I253 V254 L255 E259 F260 H261 L325	I253-H257 WeakPolarHBondContact O-CB 3.25Å; I253-H257 PolarHBondContact O-CD2 3.44Å; V254-H257 PolarHBondContact O-N 3.41Å; L255-H257 VanDerWaalsContact C-N 3.33Å; L255-H257 PolarHBondContact O-N 3.33Å; H257-E259 PolarHBondContact O-N 2.89Å; H257-F260 HydrophobicContact CB-CD2 3.62Å; H257-F260 HydrophobicContact CB-CE2 3.81Å; H257-F260 PolarHBondContact O-N 2.85Å; H257-H261 PolarHBondContact O-CD2 2.99Å; H257-L325 HydrophobicContact CB-CD1 4.28Å
258	A	91.4	Very high	93.9	Very high	70 Å²	70	43.5 Å²	43.5	58%	0.579	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-55.2	-24.1	179.1	0	0	0	0	0	114.3	F260 H261	A258-F260 PolarHBondContact O-N 3.09Å; A258-F260 VanDerWaalsContact O-N 3.17Å; A258-H261 WeakPolarHBondContact O-CB 3.38Å; A258-H261 PolarHBondContact O-N 3.02Å; A258-H261 VanDerWaalsContact O-N 3.08Å
259	E	89.2	Confident	94.1	Very high	109 Å²	109	39.7 Å²	39.7	51%	0.509	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-56.6	-28.3	173.8	-59.8	-169.9	-158.7	0	0	112.7	H257 K331	H257-E259 PolarHBondContact O-N 2.89Å; E259-K331 VanDerWaalsContact CD-NZ 3.26Å; E259-K331 IonicContact OE1-NZ 2.71Å; E259-K331 PolarHBondContact OE1-NZ 3.13Å; E259-K331 IonicContact OE2-NZ 3.09Å; E259-K331 PolarHBondContact OE2-NZ 3.14Å; E259-K331 VanDerWaalsContact OE2-NZ 3.09Å
260	F	93	Very high	94.2	Very high	9 Å²	9	39.6 Å²	39.6	4%	0.039	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-91.6	-11.2	179.1	-58.1	-52.2	0	0	0	114	I253 H257 A258 S262 A263 T266 L318 R321 L325	I253-F260 HydrophobicContact CG2-CD2 3.8Å; I253-F260 HydrophobicContact CG2-CE2 3.62Å; I253-F260 HydrophobicContact CG2-CZ 4.4Å; I253-F260 WeakPolarHBondContact O-CD2 3.18Å; H257-F260 HydrophobicContact CB-CD2 3.62Å; H257-F260 HydrophobicContact CB-CE2 3.81Å; H257-F260 PolarHBondContact O-N 2.85Å; A258-F260 PolarHBondContact O-N 3.09Å; A258-F260 VanDerWaalsContact O-N 3.17Å; F260-S262 VanDerWaalsContact C-N 3.29Å; F260-S262 PolarHBondContact O-N 2.73Å; F260-A263 PolarHBondContact O-N 3.16Å; F260-T266 VanDerWaalsContact O-CB 3.26Å; F260-T266 WeakPolarHBondContact O-CB 3.32Å; F260-T266 PolarHBondContact O-OG1 3.2Å; F260-L318 HydrophobicContact CB-CD2 4.24Å; F260-L318 HydrophobicContact CD1-CD2 3.44Å; F260-L318 VanDerWaalsContact CD1-CD2 3.44Å; F260-L318 HydrophobicContact CE1-CD2 3.96Å; F260-L318 HydrophobicContact CG-CD2 3.87Å; F260-R321 HydrophobicContact CE1-CB 3.75Å; F260-R321 HydrophobicContact CZ-CB 4Å; F260-L325 HydrophobicContact CE2-CD1 4.15Å; F260-L325 HydrophobicContact CZ-CD1 4.22Å
261	H	94.4	Very high	94.3	Very high	41 Å²	41	41.5 Å²	41.5	19%	0.19	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-28.1	-177	-60.8	-179.4	0	0	0	112.3	F204 Y205 V254 H257 A258	F204-H261 WeakPolarHBondContact CE1-O 3.43Å; F204-H261 VanDerWaalsContact CZ-O 3.26Å; F204-H261 WeakPolarHBondContact CZ-O 3.22Å; Y205-H261 VanDerWaalsContact CB-O 3.31Å; Y205-H261 WeakPolarHBondContact CB-O 3.44Å; Y205-H261 HydrophobicContact CD1-CB 3.87Å; Y205-H261 AromaticContact CD1-CG 3.75Å; Y205-H261 AromaticContact CD1-ND1 3.78Å; Y205-H261 HydrophobicContact CD2-CB 3.97Å; Y205-H261 AromaticContact CD2-CD2 3.88Å; Y205-H261 AromaticContact CD2-CG 3.88Å; Y205-H261 HydrophobicContact CE1-CB 4.26Å; Y205-H261 AromaticContact CE1-CD2 3.96Å; Y205-H261 AromaticContact CE1-CE1 3.57Å; Y205-H261 AromaticContact CE1-CG 3.61Å; Y205-H261 AromaticContact CE1-ND1 3.34Å; Y205-H261 VanDerWaalsContact CE1-ND1 3.34Å; Y205-H261 WeakPolarHBondContact CE1-ND1 3.36Å; Y205-H261 AromaticContact CE1-NE2 3.96Å; Y205-H261 HydrophobicContact CE2-CB 4.34Å; Y205-H261 AromaticContact CE2-CD2 3.39Å; Y205-H261 WeakPolarHBondContact CE2-CD2 3.3Å; Y205-H261 AromaticContact CE2-CG 3.74Å; Y205-H261 AromaticContact CE2-NE2 3.75Å; Y205-H261 HydrophobicContact CG-CB 3.71Å; Y205-H261 AromaticContact CG-CG 3.87Å; Y205-H261 AromaticContact CZ-CD2 3.43Å; Y205-H261 VanDerWaalsContact CZ-CD2 3.43Å; Y205-H261 AromaticContact CZ-CE1 3.43Å; Y205-H261 VanDerWaalsContact CZ-CE1 3.43Å; Y205-H261 AromaticContact CZ-CG 3.59Å; Y205-H261 AromaticContact CZ-ND1 3.57Å; Y205-H261 AromaticContact CZ-NE2 3.35Å; Y205-H261 PolarHBondContact OH-CE1 3.12Å; Y205-H261 VanDerWaalsContact OH-CE1 3.29Å; Y205-H261 PolarHBondContact OH-NE2 3.04Å; Y205-H261 VanDerWaalsContact OH-NE2 3.16Å; V254-H261 PolarHBondContact O-CD2 3.32Å; V254-H261 PolarHBondContact O-NE2 3.36Å; H257-H261 PolarHBondContact O-CD2 2.99Å; A258-H261 WeakPolarHBondContact O-CB 3.38Å; A258-H261 PolarHBondContact O-N 3.02Å; A258-H261 VanDerWaalsContact O-N 3.08Å
262	S	90.1	Very high	94.3	Very high	93 Å²	93	38.5 Å²	38.5	65%	0.65	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.9	2.1	176.4	-50.7	0	0	0	0	113.2	F260	F260-S262 VanDerWaalsContact C-N 3.29Å; F260-S262 PolarHBondContact O-N 2.73Å
263	A	93.7	Very high	94.5	Very high	26 Å²	26	36.2 Å²	36.2	22%	0.215	21%	0.206	C	C	.	.			trans	-77.6	129.7	-175	0	0	0	0	0	111.6	F260 T265 T266 Y267	F260-A263 PolarHBondContact O-N 3.16Å; A263-T265 PolarHBondContact O-N 2.86Å; A263-T265 VanDerWaalsContact O-N 3.1Å; A263-T266 WeakPolarHBondContact O-CB 3.44Å; A263-T266 PolarHBondContact O-N 3.35Å; A263-Y267 PolarHBondContact O-N 2.68Å
264	S	94.2	Very high	94.7	Very high	52 Å²	52	36.2 Å²	36.2	36%	0.364	21%	0.206	S	C	.	.	H	α-helix	trans	-58.7	-26.8	176.3	-51.6	0	0	0	0	113.2	Y267 W268	S264-Y267 PolarHBondContact O-N 2.88Å; S264-W268 PolarHBondContact O-N 2.86Å; S264-W268 VanDerWaalsContact O-N 3.13Å
265	T	95.3	Very high	94.9	Very high	25 Å²	25	38.4 Å²	38.4	15%	0.153	22%	0.218	C	C	.	.	H	α-helix	trans	-64.1	-39.9	174.7	-54.2	0	0	0	0	111.7	A263 W268 L269 C314 K317 L318	A263-T265 PolarHBondContact O-N 2.86Å; A263-T265 VanDerWaalsContact O-N 3.1Å; T265-W268 PolarHBondContact O-N 2.74Å; T265-L269 WeakPolarHBondContact O-CB 3.35Å; T265-L269 PolarHBondContact O-N 2.84Å; T265-C314 HydrophobicContact CG2-CB 3.72Å; T265-C314 WeakPolarHBondContact CG2-O 3.5Å; T265-K317 HydrophobicContact CG2-CB 3.98Å; T265-L318 HydrophobicContact CG2-CD2 4.31Å; T265-L318 HydrophobicContact CG2-CG 4Å
266	T	96.7	Very high	94.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.5	-40.8	176.4	-48.8	0	0	0	0	111.1	F204 V254 F260 A263 L269 F270	F204-T266 HydrophobicContact CE2-CG2 4.09Å; F204-T266 HydrophobicContact CZ-CG2 4.36Å; V254-T266 HydrophobicContact CG1-CG2 3.74Å; V254-T266 HydrophobicContact CG2-CG2 4.17Å; F260-T266 VanDerWaalsContact O-CB 3.26Å; F260-T266 WeakPolarHBondContact O-CB 3.32Å; F260-T266 PolarHBondContact O-OG1 3.2Å; A263-T266 WeakPolarHBondContact O-CB 3.44Å; A263-T266 PolarHBondContact O-N 3.35Å; T266-L269 WeakPolarHBondContact O-CB 3.18Å; T266-L269 PolarHBondContact O-N 2.94Å; T266-F270 HydrophobicContact CG2-CD1 4.24Å; T266-F270 HydrophobicContact CG2-CD2 4.42Å; T266-F270 HydrophobicContact CG2-CE1 3.8Å; T266-F270 HydrophobicContact CG2-CE2 4.01Å; T266-F270 HydrophobicContact CG2-CZ 3.68Å; T266-F270 WeakPolarHBondContact O-CG 3.45Å; T266-F270 PolarHBondContact O-N 3.41Å
267	Y	97.3	Very high	95	Very high	1 Å²	1	32.6 Å²	32.6	0%	0.004	18%	0.182	C	C	.	.	H	α-helix	trans	-56.8	-52.9	174.8	175.4	-86.3	0	0	0	111.8	L189 V199 I202 F204 A263 S264 L269 F270 F271	L189-Y267 HydrophobicContact CB-CE2 3.99Å; L189-Y267 HydrophobicContact CD2-CD2 3.63Å; L189-Y267 HydrophobicContact CD2-CE2 3.49Å; L189-Y267 VanDerWaalsContact CD2-CE2 3.49Å; L189-Y267 HydrophobicContact CG-CE2 4.31Å; L189-Y267 PolarHBondContact O-OH 2.97Å; V199-Y267 HydrophobicContact CB-CD1 4.45Å; V199-Y267 HydrophobicContact CB-CG 4.49Å; V199-Y267 VanDerWaalsContact CG1-CB 3.48Å; V199-Y267 HydrophobicContact CG1-CD1 3.68Å; V199-Y267 HydrophobicContact CG1-CD2 3.87Å; V199-Y267 HydrophobicContact CG1-CE1 4.43Å; V199-Y267 HydrophobicContact CG1-CG 3.38Å; V199-Y267 HydrophobicContact CG2-CD1 3.85Å; V199-Y267 HydrophobicContact CG2-CE1 3.9Å; V199-Y267 HydrophobicContact CG2-CG 4.34Å; I202-Y267 HydrophobicContact CD1-CD2 4.47Å; I202-Y267 HydrophobicContact CD1-CE2 3.84Å; F204-Y267 HydrophobicContact CB-CD2 3.87Å; F204-Y267 HydrophobicContact CB-CE2 4.31Å; F204-Y267 AromaticContact CD1-CD2 3.81Å; F204-Y267 HydrophobicContact CD1-CD2 3.81Å; F204-Y267 HydrophobicContact CD1-CG 4.44Å; F204-Y267 HydrophobicContact CD2-CD2 4.1Å; F204-Y267 HydrophobicContact CE1-CD2 4.43Å; F204-Y267 AromaticContact CG-CD2 3.65Å; F204-Y267 HydrophobicContact CG-CD2 3.65Å; F204-Y267 HydrophobicContact CG-CG 4.48Å; A263-Y267 PolarHBondContact O-N 2.68Å; S264-Y267 PolarHBondContact O-N 2.88Å; Y267-L269 VanDerWaalsContact C-N 3.28Å; Y267-L269 PolarHBondContact O-N 3.4Å; Y267-F270 PolarHBondContact O-N 3.3Å; Y267-F271 WeakPolarHBondContact O-CB 3.33Å; Y267-F271 PolarHBondContact O-N 3.42Å
268	W	96.7	Very high	95.2	Very high	111 Å²	111	32 Å²	32	42%	0.42	18%	0.182	S	C	.	.	H	α-helix	trans	-67.2	-30.1	-179.2	-72.7	116.7	0	0	0	112.8	V199 S264 T265 F271 S272	V199-W268 HydrophobicContact CG2-CZ2 4.42Å; S264-W268 PolarHBondContact O-N 2.86Å; S264-W268 VanDerWaalsContact O-N 3.13Å; T265-W268 PolarHBondContact O-N 2.74Å; W268-F271 HydrophobicContact CE3-CB 4.48Å; W268-F271 HydrophobicContact CE3-CD1 4.09Å; W268-F271 HydrophobicContact CZ3-CD1 4.07Å; W268-F271 HydrophobicContact CZ3-CE1 4.44Å; W268-S272 WeakPolarHBondContact O-CB 3.4Å; W268-S272 PolarHBondContact O-N 2.94Å; W268-S272 PolarHBondContact O-OG 3.33Å
269	L	96.8	Very high	95.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.6	-51.1	172.2	-175.2	60.5	0	0	0	111.3	V249 T265 T266 Y267 F271 S272 W273 C314 E315 L318	V249-L269 HydrophobicContact CG1-CD2 3.69Å; T265-L269 WeakPolarHBondContact O-CB 3.35Å; T265-L269 PolarHBondContact O-N 2.84Å; T266-L269 WeakPolarHBondContact O-CB 3.18Å; T266-L269 PolarHBondContact O-N 2.94Å; Y267-L269 VanDerWaalsContact C-N 3.28Å; Y267-L269 PolarHBondContact O-N 3.4Å; L269-F271 VanDerWaalsContact C-N 3.3Å; L269-F271 PolarHBondContact O-N 3.05Å; L269-S272 PolarHBondContact O-N 2.82Å; L269-W273 HydrophobicContact CD1-CD2 4.13Å; L269-W273 VanDerWaalsContact CD1-CE2 3.41Å; L269-W273 HydrophobicContact CD1-CG 4.44Å; L269-W273 HydrophobicContact CD1-CZ2 3.69Å; L269-W273 VanDerWaalsContact CD1-NE1 3.29Å; L269-W273 HydrophobicContact CD2-CH2 3.75Å; L269-W273 HydrophobicContact CD2-CZ2 3.58Å; L269-W273 HydrophobicContact CD2-CZ3 4.36Å; L269-W273 HydrophobicContact CG-CD2 3.96Å; L269-W273 HydrophobicContact CG-CE3 4.33Å; L269-W273 HydrophobicContact CG-CH2 4.07Å; L269-W273 HydrophobicContact CG-CZ2 3.65Å; L269-W273 HydrophobicContact CG-CZ3 4.38Å; L269-W273 WeakPolarHBondContact O-CB 3.4Å; L269-W273 PolarHBondContact O-N 2.85Å; L269-C314 HydrophobicContact CB-CB 3.9Å; L269-C314 HydrophobicContact CD1-CB 3.96Å; L269-C314 HydrophobicContact CG-CB 4.42Å; L269-E315 HydrophobicContact CD1-CG 3.59Å; L269-E315 HydrophobicContact CD2-CG 4.11Å; L269-L318 HydrophobicContact CD2-CD1 3.47Å; L269-L318 VanDerWaalsContact CD2-CD1 3.47Å
270	F	97.8	Very high	95.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.6	-37.9	178.1	-71.2	3.3	0	0	0	111.8	L189 F204 Y205 I209 L212 L250 V254 T266 Y267 W273 S274	L189-F270 HydrophobicContact CD1-CB 3.98Å; F204-F270 HydrophobicContact CD2-CD2 4.27Å; F204-F270 HydrophobicContact CE2-CD2 4.17Å; F204-F270 HydrophobicContact CE2-CE2 4.4Å; Y205-F270 HydrophobicContact CD2-CE2 4.27Å; I209-F270 HydrophobicContact CD1-CE2 4.23Å; I209-F270 HydrophobicContact CD1-CZ 4.04Å; L212-F270 HydrophobicContact CD2-CB 4.46Å; L212-F270 HydrophobicContact CD2-CD1 3.52Å; L212-F270 HydrophobicContact CD2-CD2 3.77Å; L212-F270 HydrophobicContact CD2-CE1 3.48Å; L212-F270 VanDerWaalsContact CD2-CE1 3.48Å; L212-F270 HydrophobicContact CD2-CE2 3.73Å; L212-F270 HydrophobicContact CD2-CG 3.66Å; L212-F270 HydrophobicContact CD2-CZ 3.58Å; L250-F270 HydrophobicContact CD1-CE1 4Å; L250-F270 HydrophobicContact CD1-CZ 3.92Å; V254-F270 HydrophobicContact CG1-CE1 4.45Å; V254-F270 HydrophobicContact CG1-CZ 3.93Å; T266-F270 HydrophobicContact CG2-CD1 4.24Å; T266-F270 HydrophobicContact CG2-CD2 4.42Å; T266-F270 HydrophobicContact CG2-CE1 3.8Å; T266-F270 HydrophobicContact CG2-CE2 4.01Å; T266-F270 HydrophobicContact CG2-CZ 3.68Å; T266-F270 WeakPolarHBondContact O-CG 3.45Å; T266-F270 PolarHBondContact O-N 3.41Å; Y267-F270 PolarHBondContact O-N 3.3Å; F270-W273 HydrophobicContact CD1-CE3 4.06Å; F270-W273 HydrophobicContact CD1-CZ3 4.13Å; F270-W273 HydrophobicContact CE1-CE3 4.43Å; F270-W273 HydrophobicContact CE1-CZ3 4.05Å; F270-S274 VanDerWaalsContact O-CB 3.31Å; F270-S274 WeakPolarHBondContact O-CB 3.4Å; F270-S274 PolarHBondContact O-N 3.38Å; F270-S274 PolarHBondContact O-OG 3.45Å
271	F	97.5	Very high	95.8	Very high	40 Å²	40	24.1 Å²	24.1	18%	0.175	13%	0.134	C	C	.	.	H	α-helix	trans	-63.2	-47	174.1	-176.1	-103.7	0	0	0	111.5	L189 V190 Y267 W268 L269 S274 L275	L189-F271 HydrophobicContact CB-CD2 4.27Å; L189-F271 HydrophobicContact CD1-CB 3.96Å; L189-F271 HydrophobicContact CD1-CD2 4.37Å; V190-F271 HydrophobicContact CG2-CE2 3.75Å; Y267-F271 WeakPolarHBondContact O-CB 3.33Å; Y267-F271 PolarHBondContact O-N 3.42Å; W268-F271 HydrophobicContact CE3-CB 4.48Å; W268-F271 HydrophobicContact CE3-CD1 4.09Å; W268-F271 HydrophobicContact CZ3-CD1 4.07Å; W268-F271 HydrophobicContact CZ3-CE1 4.44Å; L269-F271 VanDerWaalsContact C-N 3.3Å; L269-F271 PolarHBondContact O-N 3.05Å; F271-S274 PolarHBondContact O-N 3.36Å; F271-S274 PolarHBondContact O-OG 3.29Å; F271-L275 HydrophobicContact CE1-CD2 3.85Å; F271-L275 HydrophobicContact CZ-CD2 3.98Å; F271-L275 VanDerWaalsContact O-CB 3.22Å; F271-L275 WeakPolarHBondContact O-CB 3.43Å; F271-L275 PolarHBondContact O-N 2.82Å
272	S	96.7	Very high	95.9	Very high	4 Å²	4	23.5 Å²	23.5	3%	0.028	13%	0.133	C	C	.	.	H	α-helix	trans	-64.6	-43.8	179.5	-57.4	0	0	0	0	111.9	W268 L269 I276 I310	W268-S272 WeakPolarHBondContact O-CB 3.4Å; W268-S272 PolarHBondContact O-N 2.94Å; W268-S272 PolarHBondContact O-OG 3.33Å; L269-S272 PolarHBondContact O-N 2.82Å; S272-I276 PolarHBondContact O-N 3.48Å; S272-I310 WeakPolarHBondContact OG-CG2 3.38Å
273	W	96	Very high	96.1	Very high	11 Å²	11	21.8 Å²	21.8	4%	0.042	11%	0.113	C	C	.	.	H	α-helix	trans	-63.7	-43	175.2	-71.4	-8.8	0	0	0	112	L212 R246 V249 L250 L269 F270 I276 E277 E315	L212-W273 HydrophobicContact CD2-CE3 4.48Å; R246-W273 HydrophobicContact CB-CH2 4.17Å; R246-W273 HydrophobicContact CB-CZ2 3.9Å; R246-W273 HydrophobicContact CG-CD2 4.12Å; R246-W273 HydrophobicContact CG-CG 4.47Å; R246-W273 HydrophobicContact CG-CH2 4.48Å; R246-W273 HydrophobicContact CG-CZ2 3.75Å; R246-W273 WeakPolarHBondContact O-CH2 3.34Å; V249-W273 HydrophobicContact CB-CH2 4.02Å; V249-W273 HydrophobicContact CB-CZ2 4.24Å; V249-W273 HydrophobicContact CG1-CH2 4.04Å; V249-W273 HydrophobicContact CG1-CZ2 4.33Å; L250-W273 HydrophobicContact CB-CH2 4.38Å; L250-W273 HydrophobicContact CB-CZ3 4.22Å; L269-W273 HydrophobicContact CD1-CD2 4.13Å; L269-W273 VanDerWaalsContact CD1-CE2 3.41Å; L269-W273 HydrophobicContact CD1-CG 4.44Å; L269-W273 HydrophobicContact CD1-CZ2 3.69Å; L269-W273 VanDerWaalsContact CD1-NE1 3.29Å; L269-W273 HydrophobicContact CD2-CH2 3.75Å; L269-W273 HydrophobicContact CD2-CZ2 3.58Å; L269-W273 HydrophobicContact CD2-CZ3 4.36Å; L269-W273 HydrophobicContact CG-CD2 3.96Å; L269-W273 HydrophobicContact CG-CE3 4.33Å; L269-W273 HydrophobicContact CG-CH2 4.07Å; L269-W273 HydrophobicContact CG-CZ2 3.65Å; L269-W273 HydrophobicContact CG-CZ3 4.38Å; L269-W273 WeakPolarHBondContact O-CB 3.4Å; L269-W273 PolarHBondContact O-N 2.85Å; F270-W273 HydrophobicContact CD1-CE3 4.06Å; F270-W273 HydrophobicContact CD1-CZ3 4.13Å; F270-W273 HydrophobicContact CE1-CE3 4.43Å; F270-W273 HydrophobicContact CE1-CZ3 4.05Å; W273-I276 VanDerWaalsContact O-CG2 3.31Å; W273-I276 WeakPolarHBondContact O-CG2 3.18Å; W273-E277 WeakPolarHBondContact O-CG 3.35Å; W273-E315 HydrophobicContact CZ2-CG 4.2Å; W273-E315 WeakPolarHBondContact CZ2-OE1 3.25Å; W273-E315 PolarHBondContact NE1-OE1 2.97Å
274	S	97.5	Very high	96.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-73.3	-37.7	-179.5	54.9	0	0	0	0	112.8	F270 F271 E277 V278	F270-S274 VanDerWaalsContact O-CB 3.31Å; F270-S274 WeakPolarHBondContact O-CB 3.4Å; F270-S274 PolarHBondContact O-N 3.38Å; F270-S274 PolarHBondContact O-OG 3.45Å; F271-S274 PolarHBondContact O-N 3.36Å; F271-S274 PolarHBondContact O-OG 3.29Å; S274-E277 WeakPolarHBondContact O-CB 3.2Å; S274-E277 PolarHBondContact O-N 2.9Å; S274-V278 VanDerWaalsContact O-CG2 3.31Å; S274-V278 WeakPolarHBondContact O-CG2 3.37Å; S274-V278 PolarHBondContact O-N 3.46Å
275	L	97.5	Very high	96.2	Very high	47 Å²	47	21.9 Å²	21.9	25%	0.246	10%	0.102	C	C	.	.	H	α-helix	trans	-66.3	-41.1	-177.9	-176.3	60.3	0	0	0	113	F271 E277 V278 L303 L307	F271-L275 HydrophobicContact CE1-CD2 3.85Å; F271-L275 HydrophobicContact CZ-CD2 3.98Å; F271-L275 VanDerWaalsContact O-CB 3.22Å; F271-L275 WeakPolarHBondContact O-CB 3.43Å; F271-L275 PolarHBondContact O-N 2.82Å; L275-E277 PolarHBondContact O-N 3.41Å; L275-V278 PolarHBondContact O-N 3.31Å; L275-L303 HydrophobicContact CG-CD2 4.36Å; L275-L307 HydrophobicContact CB-CD1 3.99Å; L275-L307 HydrophobicContact CD2-CD1 4.02Å; L275-L307 HydrophobicContact CD2-CD2 4.18Å; L275-L307 HydrophobicContact CG-CD1 3.98Å
276	I	94.9	Very high	96.1	Very high	6 Å²	6	22.8 Å²	22.8	3%	0.031	11%	0.106	C	C	.	.	H	α-helix	trans	-63.6	-32.9	175.8	-166.4	67	0	0	0	111.3	S272 W273 V279 R280 L303 L307 Y308	S272-I276 PolarHBondContact O-N 3.48Å; W273-I276 VanDerWaalsContact O-CG2 3.31Å; W273-I276 WeakPolarHBondContact O-CG2 3.18Å; I276-V279 PolarHBondContact O-N 3.26Å; I276-R280 WeakPolarHBondContact O-CB 3.46Å; I276-R280 PolarHBondContact O-N 3.42Å; I276-L303 HydrophobicContact CD1-CB 3.95Å; I276-L303 HydrophobicContact CD1-CD2 3.93Å; I276-L303 HydrophobicContact CD1-CG 3.98Å; I276-L307 HydrophobicContact CB-CD1 3.91Å; I276-L307 HydrophobicContact CD1-CD1 4.37Å; I276-Y308 HydrophobicContact CG1-CE1 4.42Å
277	E	95.3	Very high	95.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-76.8	-38.9	-177.9	-66	-61.4	155.8	0	0	112.8	Y182 R246 W273 S274 L275 V279 R280 Y281	Y182-E277 HydrophobicContact CD1-CB 3.78Å; Y182-E277 HydrophobicContact CD1-CG 3.95Å; Y182-E277 HydrophobicContact CD2-CB 3.59Å; Y182-E277 HydrophobicContact CD2-CG 4Å; Y182-E277 HydrophobicContact CE1-CB 4.19Å; Y182-E277 HydrophobicContact CE1-CG 3.84Å; Y182-E277 HydrophobicContact CE2-CB 4.01Å; Y182-E277 HydrophobicContact CE2-CG 3.88Å; Y182-E277 HydrophobicContact CG-CB 3.42Å; Y182-E277 VanDerWaalsContact CG-CB 3.42Å; Y182-E277 HydrophobicContact CG-CG 4Å; R246-E277 IonicContact CZ-OE1 3.12Å; R246-E277 IonicContact NH1-OE1 3.84Å; R246-E277 PolarHBondContact NH1-OE1 3.03Å; R246-E277 IonicContact NH2-OE1 2.72Å; R246-E277 PolarHBondContact NH2-OE1 3.22Å; W273-E277 WeakPolarHBondContact O-CG 3.35Å; S274-E277 WeakPolarHBondContact O-CB 3.2Å; S274-E277 PolarHBondContact O-N 2.9Å; L275-E277 PolarHBondContact O-N 3.41Å; E277-V279 PolarHBondContact O-N 3.49Å; E277-V279 VanDerWaalsContact O-N 3.13Å; E277-R280 VanDerWaalsContact CD-CZ 3.4Å; E277-R280 VanDerWaalsContact CD-NE 3.26Å; E277-R280 PolarHBondContact O-N 2.97Å; E277-R280 VanDerWaalsContact O-N 3.07Å; E277-R280 IonicContact OE1-CZ 2.65Å; E277-R280 IonicContact OE1-NE 3.72Å; E277-R280 PolarHBondContact OE1-NE 2.83Å; E277-R280 IonicContact OE1-NH1 3.29Å; E277-R280 IonicContact OE1-NH2 2.7Å; E277-R280 PolarHBondContact OE1-NH2 3.07Å; E277-R280 VanDerWaalsContact OE1-NH2 3.15Å; E277-R280 IonicContact OE2-CZ 2.68Å; E277-R280 IonicContact OE2-NE 3.6Å; E277-R280 PolarHBondContact OE2-NE 3.19Å; E277-R280 IonicContact OE2-NH2 3.14Å; E277-R280 PolarHBondContact OE2-NH2 2.96Å; E277-Y281 HydrophobicContact CB-CD2 4.27Å; E277-Y281 HydrophobicContact CB-CE2 4.01Å; E277-Y281 HydrophobicContact CG-CE2 4.46Å; E277-Y281 VanDerWaalsContact O-CD2 3.26Å; E277-Y281 WeakPolarHBondContact O-CD2 3.39Å; E277-Y281 PolarHBondContact O-N 3.4Å; E277-Y281 VanDerWaalsContact O-N 3.1Å; E277-Y281 WeakPolarHBondContact OE2-CE2 3.37Å
278	V	97.5	Very high	95.6	Very high	28 Å²	28	26.5 Å²	26.5	17%	0.17	13%	0.13	C	C	.	.	H	α-helix	trans	-56.6	-27.4	172.8	166.3	0	0	0	0	112	F179 L183 C186 S274 L275 P282	F179-V278 HydrophobicContact CE2-CG1 4.18Å; F179-V278 WeakPolarHBondContact CE2-O 3.35Å; L183-V278 HydrophobicContact CB-CG2 4.32Å; L183-V278 HydrophobicContact CD1-CG1 4.19Å; L183-V278 HydrophobicContact CD1-CG2 4.3Å; C186-V278 HydrophobicContact CB-CG2 3.96Å; S274-V278 VanDerWaalsContact O-CG2 3.31Å; S274-V278 WeakPolarHBondContact O-CG2 3.37Å; S274-V278 PolarHBondContact O-N 3.46Å; L275-V278 PolarHBondContact O-N 3.31Å; V278-P282 WeakPolarHBondContact O-CD 3.47Å; V278-P282 WeakPolarHBondContact O-CG 3.41Å
279	V	96.4	Very high	95.4	Very high	19 Å²	19	22.7 Å²	22.7	12%	0.115	12%	0.117	C	C	.	.	H	α-helix	trans	-90.6	-37.1	173.2	178.2	0	0	0	0	112.3	I276 E277 Y283 L299 R300 L303	I276-V279 PolarHBondContact O-N 3.26Å; E277-V279 PolarHBondContact O-N 3.49Å; E277-V279 VanDerWaalsContact O-N 3.13Å; V279-Y283 PolarHBondContact O-N 3.3Å; V279-L299 HydrophobicContact CG1-CB 3.69Å; V279-L299 HydrophobicContact CG2-CB 4.43Å; V279-R300 HydrophobicContact CG1-CB 4.29Å; V279-L303 HydrophobicContact CB-CD2 4.27Å; V279-L303 HydrophobicContact CG2-CD2 3.8Å
280	R	94.2	Very high	95	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.008	15%	0.145	C	C	.	.	H	α-helix	trans	-62.5	-48.1	-175.9	-177.5	171.1	74.4	145	8.8	112.9	E222 I276 E277 Y283 Y284	E222-R280 VanDerWaalsContact CD-NH2 3.32Å; E222-R280 IonicContact OE1-CZ 3.15Å; E222-R280 IonicContact OE1-NH1 2.93Å; E222-R280 IonicContact OE1-NH2 3.1Å; E222-R280 PolarHBondContact OE1-NH2 2.65Å; E222-R280 IonicContact OE2-CZ 2.8Å; E222-R280 VanDerWaalsContact OE2-CZ 3.29Å; E222-R280 IonicContact OE2-NH1 2.63Å; E222-R280 PolarHBondContact OE2-NH1 2.87Å; E222-R280 IonicContact OE2-NH2 3.26Å; E222-R280 PolarHBondContact OE2-NH2 3.14Å; E222-R280 VanDerWaalsContact OE2-NH2 3.14Å; I276-R280 WeakPolarHBondContact O-CB 3.46Å; I276-R280 PolarHBondContact O-N 3.42Å; E277-R280 VanDerWaalsContact CD-CZ 3.4Å; E277-R280 VanDerWaalsContact CD-NE 3.26Å; E277-R280 PolarHBondContact O-N 2.97Å; E277-R280 VanDerWaalsContact O-N 3.07Å; E277-R280 IonicContact OE1-CZ 2.65Å; E277-R280 IonicContact OE1-NE 3.72Å; E277-R280 PolarHBondContact OE1-NE 2.83Å; E277-R280 IonicContact OE1-NH1 3.29Å; E277-R280 IonicContact OE1-NH2 2.7Å; E277-R280 PolarHBondContact OE1-NH2 3.07Å; E277-R280 VanDerWaalsContact OE1-NH2 3.15Å; E277-R280 IonicContact OE2-CZ 2.68Å; E277-R280 IonicContact OE2-NE 3.6Å; E277-R280 PolarHBondContact OE2-NE 3.19Å; E277-R280 IonicContact OE2-NH2 3.14Å; E277-R280 PolarHBondContact OE2-NH2 2.96Å; R280-Y283 WeakPolarHBondContact O-CB 3.22Å; R280-Y283 PolarHBondContact O-N 3.13Å; R280-Y284 WeakPolarHBondContact CD-OH 3.28Å; R280-Y284 HydrophobicContact CG-CD2 4.05Å; R280-Y284 HydrophobicContact CG-CE1 4.06Å; R280-Y284 HydrophobicContact CG-CE2 3.49Å; R280-Y284 VanDerWaalsContact CG-CE2 3.49Å; R280-Y284 VanDerWaalsContact CG-CZ 3.48Å; R280-Y284 PolarHBondContact O-N 3.38Å
281	Y	95.8	Very high	94.6	Very high	1 Å²	1	32 Å²	32	0%	0.004	17%	0.168	C	C	.	.	H	α-helix	trans	-70.6	-40.5	-174.8	-67.7	-65.1	0	0	0	114	N175 Q178 F179 Y182 E222 E277 Y283 Y284 I285	N175-Y281 HydrophobicContact CB-CD1 4.32Å; N175-Y281 WeakPolarHBondContact OD1-CD1 3.37Å; Q178-Y281 HydrophobicContact CB-CD1 3.71Å; Q178-Y281 HydrophobicContact CB-CD2 3.86Å; Q178-Y281 HydrophobicContact CB-CE1 3.38Å; Q178-Y281 HydrophobicContact CB-CE2 3.54Å; Q178-Y281 HydrophobicContact CB-CG 3.92Å; Q178-Y281 HydrophobicContact CG-CD1 4.44Å; Q178-Y281 HydrophobicContact CG-CE1 3.71Å; Q178-Y281 HydrophobicContact CG-CE2 4.34Å; Q178-Y281 WeakPolarHBondContact CG-OH 3.36Å; Q178-Y281 PolarHBondContact OE1-OH 2.92Å; F179-Y281 HydrophobicContact CB-CG 4.4Å; Y182-Y281 HydrophobicContact CD2-CD2 4.22Å; Y182-Y281 AromaticContact CD2-CE2 3.51Å; Y182-Y281 HydrophobicContact CD2-CE2 3.51Å; Y182-Y281 AromaticContact CE2-CE2 3.72Å; Y182-Y281 HydrophobicContact CE2-CE2 3.72Å; E222-Y281 PolarHBondContact OE1-OH 3.28Å; E277-Y281 HydrophobicContact CB-CD2 4.27Å; E277-Y281 HydrophobicContact CB-CE2 4.01Å; E277-Y281 HydrophobicContact CG-CE2 4.46Å; E277-Y281 VanDerWaalsContact O-CD2 3.26Å; E277-Y281 WeakPolarHBondContact O-CD2 3.39Å; E277-Y281 PolarHBondContact O-N 3.4Å; E277-Y281 VanDerWaalsContact O-N 3.1Å; E277-Y281 WeakPolarHBondContact OE2-CE2 3.37Å; Y281-Y283 VanDerWaalsContact C-N 3.27Å; Y281-Y283 PolarHBondContact O-N 3.49Å; Y281-Y284 HydrophobicContact CD1-CD2 4.17Å; Y281-Y284 PolarHBondContact O-N 2.89Å; Y281-Y284 VanDerWaalsContact O-N 3.15Å; Y281-I285 WeakPolarHBondContact O-CG1 3.39Å; Y281-I285 PolarHBondContact O-N 2.84Å
282	P	96.3	Very high	94.3	Very high	27 Å²	27	39 Å²	39	18%	0.175	20%	0.201	C	C	.	.	H	α-helix	trans	-58.4	-38.5	169.7	-29.5	38.8	0	0	0	113.1	F179 V278 I285 L286 I296	F179-P282 HydrophobicContact CD2-CG 3.55Å; F179-P282 HydrophobicContact CE2-CG 3.42Å; F179-P282 VanDerWaalsContact CE2-CG 3.42Å; F179-P282 HydrophobicContact CG-CG 4.26Å; F179-P282 HydrophobicContact CZ-CG 4.05Å; V278-P282 WeakPolarHBondContact O-CD 3.47Å; V278-P282 WeakPolarHBondContact O-CG 3.41Å; P282-I285 PolarHBondContact O-N 2.92Å; P282-L286 WeakPolarHBondContact O-CG 3.34Å; P282-L286 PolarHBondContact O-N 3.43Å; P282-I296 HydrophobicContact CB-CD1 4.44Å
283	Y	94.5	Very high	94	Very high	58 Å²	58	41.9 Å²	41.9	23%	0.227	22%	0.216	C	C	.	.	H	α-helix	trans	-61.3	-44.5	173.7	176.7	-96.3	0	0	0	111.8	V279 R280 Y281 L286 S287 I296 T297 R300	V279-Y283 PolarHBondContact O-N 3.3Å; R280-Y283 WeakPolarHBondContact O-CB 3.22Å; R280-Y283 PolarHBondContact O-N 3.13Å; Y281-Y283 VanDerWaalsContact C-N 3.27Å; Y281-Y283 PolarHBondContact O-N 3.49Å; Y283-L286 PolarHBondContact O-N 3.47Å; Y283-S287 WeakPolarHBondContact O-CB 3.38Å; Y283-S287 PolarHBondContact O-N 3Å; Y283-I296 HydrophobicContact CD2-CG2 4.24Å; Y283-I296 HydrophobicContact CG-CG2 4.48Å; Y283-T297 HydrophobicContact CE2-CG2 4.42Å; Y283-R300 HydrophobicContact CD1-CG 3.93Å; Y283-R300 HydrophobicContact CD2-CB 4.15Å; Y283-R300 HydrophobicContact CD2-CG 4.15Å; Y283-R300 HydrophobicContact CE1-CG 4.28Å; Y283-R300 HydrophobicContact CE2-CG 4.46Å; Y283-R300 HydrophobicContact CG-CB 4.19Å; Y283-R300 HydrophobicContact CG-CG 3.87Å
284	Y	93.3	Very high	93.9	Very high	56 Å²	56	44.3 Å²	44.3	22%	0.22	25%	0.245	C	C	.	.	H	α-helix	trans	-64	-39.5	176.2	-66.6	-14.9	0	0	0	112.8	N175 R280 Y281 L288 R300	N175-Y284 WeakPolarHBondContact OD1-CB 3.34Å; N175-Y284 WeakPolarHBondContact OD1-CD2 3.45Å; R280-Y284 WeakPolarHBondContact CD-OH 3.28Å; R280-Y284 HydrophobicContact CG-CD2 4.05Å; R280-Y284 HydrophobicContact CG-CE1 4.06Å; R280-Y284 HydrophobicContact CG-CE2 3.49Å; R280-Y284 VanDerWaalsContact CG-CE2 3.49Å; R280-Y284 VanDerWaalsContact CG-CZ 3.48Å; R280-Y284 PolarHBondContact O-N 3.38Å; Y281-Y284 HydrophobicContact CD1-CD2 4.17Å; Y281-Y284 PolarHBondContact O-N 2.89Å; Y281-Y284 VanDerWaalsContact O-N 3.15Å; Y284-L288 WeakPolarHBondContact O-CB 3.48Å; Y284-L288 PolarHBondContact O-N 2.91Å; Y284-R300 PolarHBondContact OH-NH2 3.02Å; Y284-R300 VanDerWaalsContact OH-NH2 3.12Å
285	I	95.4	Very high	93.7	Very high	24 Å²	24	50.6 Å²	50.6	12%	0.123	28%	0.278	C	S	.	.	H	α-helix	trans	-63	-46.9	176.1	-69.1	165.4	0	0	0	111	F172 N175 V176 Y281 P282 L288 L289	F172-I285 HydrophobicContact CD2-CG2 3.9Å; F172-I285 HydrophobicContact CE2-CG2 3.58Å; N175-I285 HydrophobicContact CB-CD1 4.06Å; N175-I285 HydrophobicContact CB-CG1 3.58Å; V176-I285 HydrophobicContact CG2-CD1 3.82Å; Y281-I285 WeakPolarHBondContact O-CG1 3.39Å; Y281-I285 PolarHBondContact O-N 2.84Å; P282-I285 PolarHBondContact O-N 2.92Å; I285-L288 WeakPolarHBondContact O-CB 3.35Å; I285-L288 PolarHBondContact O-N 3.37Å; I285-L289 HydrophobicContact CG2-CD1 4.22Å; I285-L289 WeakPolarHBondContact O-CG 3.2Å; I285-L289 PolarHBondContact O-N 3.38Å; I285-L289 VanDerWaalsContact O-N 3.09Å
286	L	94.4	Very high	93.6	Very high	44 Å²	44	50.3 Å²	50.3	23%	0.23	28%	0.277	C	S	.	.	H	α-helix	trans	-63.7	-46.3	179	-70.8	174.7	0	0	0	111.6	P282 Y283 L288 L289 S290 F291 N293 I296	P282-L286 WeakPolarHBondContact O-CG 3.34Å; P282-L286 PolarHBondContact O-N 3.43Å; Y283-L286 PolarHBondContact O-N 3.47Å; L286-L288 VanDerWaalsContact C-N 3.27Å; L286-L288 PolarHBondContact O-N 3.42Å; L286-L289 CarbonylContact O-C 3.59Å; L286-L289 PolarHBondContact O-N 2.91Å; L286-L289 VanDerWaalsContact O-N 3.12Å; L286-S290 PolarHBondContact O-N 3.13Å; L286-F291 CarbonylContact C-O 3.53Å; L286-F291 VanDerWaalsContact C-O 3.22Å; L286-F291 HydrophobicContact CD2-CB 4.08Å; L286-F291 PolarHBondContact O-N 3.15Å; L286-N293 HydrophobicContact CD1-CB 3.76Å; L286-I296 HydrophobicContact CD1-CB 4.44Å; L286-I296 HydrophobicContact CD1-CD1 3.48Å; L286-I296 VanDerWaalsContact CD1-CD1 3.48Å; L286-I296 HydrophobicContact CD1-CG2 4.45Å
287	S	91.6	Very high	93.5	Very high	53 Å²	53	52.1 Å²	52.1	37%	0.371	29%	0.288	S	S	.	.	H	α-helix	trans	-62.3	-35	177.3	-177.5	0	0	0	0	112.6	Y283 L289 S290	Y283-S287 WeakPolarHBondContact O-CB 3.38Å; Y283-S287 PolarHBondContact O-N 3Å; S287-L289 VanDerWaalsContact C-N 3.35Å; S287-S290 PolarHBondContact O-N 3.4Å
288	L	92.2	Very high	93.5	Very high	26 Å²	26	59.2 Å²	59.2	14%	0.136	32%	0.316	C	S	.	.	H	α-helix	trans	-64.9	-39.2	174.8	-179.3	65.3	0	0	0	111.8	L162 T168 L171 F172 Y284 I285 L286 S290	L162-L288 WeakPolarHBondContact CD2-O 3.35Å; T168-L288 HydrophobicContact CG2-CD1 3.93Å; T168-L288 HydrophobicContact CG2-CD2 4.06Å; T168-L288 HydrophobicContact CG2-CG 3.82Å; L171-L288 HydrophobicContact CB-CD1 4.42Å; L171-L288 HydrophobicContact CB-CD2 3.87Å; L171-L288 HydrophobicContact CD1-CD1 4.25Å; F172-L288 HydrophobicContact CB-CD2 3.88Å; Y284-L288 WeakPolarHBondContact O-CB 3.48Å; Y284-L288 PolarHBondContact O-N 2.91Å; I285-L288 WeakPolarHBondContact O-CB 3.35Å; I285-L288 PolarHBondContact O-N 3.37Å; L286-L288 VanDerWaalsContact C-N 3.27Å; L286-L288 PolarHBondContact O-N 3.42Å; L288-S290 PolarHBondContact O-N 3.16Å
289	L	92.2	Very high	93.4	Very high	31 Å²	31	61.4 Å²	61.4	16%	0.162	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	12.4	177.9	-63.4	177.7	0	0	0	113.5	F159 I163 F172 I285 L286 S287 F291	F159-L289 HydrophobicContact CE2-CD2 4.48Å; I163-L289 HydrophobicContact CG2-CD2 3.98Å; F172-L289 HydrophobicContact CD2-CD1 4.46Å; F172-L289 HydrophobicContact CE2-CD1 4.12Å; I285-L289 HydrophobicContact CG2-CD1 4.22Å; I285-L289 WeakPolarHBondContact O-CG 3.2Å; I285-L289 PolarHBondContact O-N 3.38Å; I285-L289 VanDerWaalsContact O-N 3.09Å; L286-L289 CarbonylContact O-C 3.59Å; L286-L289 PolarHBondContact O-N 2.91Å; L286-L289 VanDerWaalsContact O-N 3.12Å; S287-L289 VanDerWaalsContact C-N 3.35Å; L289-F291 HydrophobicContact CB-CD2 3.63Å; L289-F291 HydrophobicContact CB-CE2 4.07Å; L289-F291 WeakPolarHBondContact O-CD2 3.43Å; L289-F291 PolarHBondContact O-N 2.81Å; L289-F291 VanDerWaalsContact O-N 3.1Å
290	S	88.1	Confident	93.2	Very high	82 Å²	82	62.7 Å²	62.7	57%	0.573	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	19.2	-176.7	-58.4	0	0	0	0	114.7	L286 S287 L288	L286-S290 PolarHBondContact O-N 3.13Å; S287-S290 PolarHBondContact O-N 3.4Å; L288-S290 PolarHBondContact O-N 3.16Å
291	F	90.4	Very high	93	Very high	112 Å²	112	67.6 Å²	67.6	49%	0.491	35%	0.352	S	S	.	.			trans	-95.7	149.5	173.7	-66.5	-58.2	0	0	0	111.3	F159 L286 L289	F159-F291 AromaticContact CE2-CE2 3.82Å; F159-F291 HydrophobicContact CE2-CE2 3.82Å; F159-F291 HydrophobicContact CE2-CZ 4.07Å; F159-F291 HydrophobicContact CZ-CE2 4.35Å; L286-F291 CarbonylContact C-O 3.53Å; L286-F291 VanDerWaalsContact C-O 3.22Å; L286-F291 HydrophobicContact CD2-CB 4.08Å; L286-F291 PolarHBondContact O-N 3.15Å; L289-F291 HydrophobicContact CB-CD2 3.63Å; L289-F291 HydrophobicContact CB-CE2 4.07Å; L289-F291 WeakPolarHBondContact O-CD2 3.43Å; L289-F291 PolarHBondContact O-N 2.81Å; L289-F291 VanDerWaalsContact O-N 3.1Å
292	Q	89.4	Confident	93	Very high	188 Å²	188	69.3 Å²	69.3	88%	0.879	36%	0.362	S	S	*	.			trans	-127.3	134.2	175.8	-59.3	-174.2	20.4	0	0	110.1
293	N	91.5	Very high	92.8	Very high	64 Å²	64	69.4 Å²	69.4	34%	0.342	36%	0.361	S	S	.	.			trans	-124.2	120.6	175.1	-178.5	-63.1	0	0	0	109.5	L286 L295 I296 T297	L286-N293 HydrophobicContact CD1-CB 3.76Å; N293-L295 VanDerWaalsContact C-N 3.3Å; N293-L295 PolarHBondContact O-N 2.91Å; N293-L295 WeakPolarHBondContact OD1-CB 3.34Å; N293-L295 PolarHBondContact OD1-N 3.46Å; N293-I296 HydrophobicContact CB-CB 4.29Å; N293-I296 HydrophobicContact CB-CD1 4.24Å; N293-I296 HydrophobicContact CB-CG1 4.49Å; N293-I296 PolarHBondContact O-N 3.26Å; N293-I296 PolarHBondContact OD1-N 3.03Å; N293-T297 WeakPolarHBondContact O-CB 3.45Å; N293-T297 PolarHBondContact O-N 2.95Å; N293-T297 PolarHBondContact O-OG1 3.38Å
294	G	92.8	Very high	92.6	Very high	63 Å²	63	72.7 Å²	72.7	65%	0.649	37%	0.373	S	S	*	.	H	α-helix	trans	-56.9	-39.2	-176.3	0	0	0	0	0	114	Y298	G294-Y298 VanDerWaalsContact O-CB 3.23Å; G294-Y298 WeakPolarHBondContact O-CB 3.3Å; G294-Y298 PolarHBondContact O-N 3.41Å
295	L	95.1	Very high	92.6	Very high	131 Å²	131	74.6 Å²	74.6	69%	0.686	39%	0.386	S	S	*	.	H	α-helix	trans	-70	-47.2	-179.3	-63.5	178.3	0	0	0	112.1	N293 Y298 L299	N293-L295 VanDerWaalsContact C-N 3.3Å; N293-L295 PolarHBondContact O-N 2.91Å; N293-L295 WeakPolarHBondContact OD1-CB 3.34Å; N293-L295 PolarHBondContact OD1-N 3.46Å; L295-Y298 PolarHBondContact O-N 3.33Å; L295-L299 WeakPolarHBondContact O-CG 3.27Å; L295-L299 PolarHBondContact O-N 2.95Å
296	I	93.7	Very high	92.6	Very high	42 Å²	42	78.7 Å²	78.7	22%	0.215	41%	0.407	C	S	.	.	H	α-helix	trans	-66.3	-42	-179.8	-68.3	168.2	0	0	0	110.2	P282 Y283 L286 N293 L299 R300	P282-I296 HydrophobicContact CB-CD1 4.44Å; Y283-I296 HydrophobicContact CD2-CG2 4.24Å; Y283-I296 HydrophobicContact CG-CG2 4.48Å; L286-I296 HydrophobicContact CD1-CB 4.44Å; L286-I296 HydrophobicContact CD1-CD1 3.48Å; L286-I296 VanDerWaalsContact CD1-CD1 3.48Å; L286-I296 HydrophobicContact CD1-CG2 4.45Å; N293-I296 HydrophobicContact CB-CB 4.29Å; N293-I296 HydrophobicContact CB-CD1 4.24Å; N293-I296 HydrophobicContact CB-CG1 4.49Å; N293-I296 PolarHBondContact O-N 3.26Å; N293-I296 PolarHBondContact OD1-N 3.03Å; I296-L299 PolarHBondContact O-N 3.28Å; I296-R300 VanDerWaalsContact O-CB 3.25Å; I296-R300 WeakPolarHBondContact O-CB 3.34Å; I296-R300 PolarHBondContact O-N 3.29Å
297	T	92.9	Very high	92.6	Very high	44 Å²	44	77.1 Å²	77.1	27%	0.27	40%	0.399	S	S	.	.	H	α-helix	trans	-59.2	-46.9	173.5	-62	0	0	0	0	110.8	Y283 N293 L299 R300 H301	Y283-T297 HydrophobicContact CE2-CG2 4.42Å; N293-T297 WeakPolarHBondContact O-CB 3.45Å; N293-T297 PolarHBondContact O-N 2.95Å; N293-T297 PolarHBondContact O-OG1 3.38Å; T297-L299 PolarHBondContact O-N 3.43Å; T297-R300 PolarHBondContact O-N 3.02Å; T297-H301 PolarHBondContact O-CD2 3.29Å; T297-H301 PolarHBondContact O-N 3.38Å; T297-H301 VanDerWaalsContact O-N 3.11Å
298	Y	96	Very high	92.6	Very high	148 Å²	148	79.4 Å²	79.4	58%	0.58	40%	0.4	S	S	*	.	H	α-helix	trans	-58.5	-51	176.6	175.7	-98.9	0	0	0	112.1	G294 L295 R300 H301 T302	G294-Y298 VanDerWaalsContact O-CB 3.23Å; G294-Y298 WeakPolarHBondContact O-CB 3.3Å; G294-Y298 PolarHBondContact O-N 3.41Å; L295-Y298 PolarHBondContact O-N 3.33Å; Y298-R300 VanDerWaalsContact C-N 3.34Å; Y298-R300 PolarHBondContact O-N 3.17Å; Y298-H301 PolarHBondContact O-N 3.29Å; Y298-T302 HydrophobicContact CD2-CG2 3.99Å; Y298-T302 HydrophobicContact CE1-CG2 4.35Å; Y298-T302 HydrophobicContact CE2-CG2 3.65Å; Y298-T302 HydrophobicContact CG-CG2 4.49Å; Y298-T302 WeakPolarHBondContact O-CB 3.4Å; Y298-T302 WeakPolarHBondContact O-CG2 3.29Å; Y298-T302 PolarHBondContact O-N 3.39Å; Y298-T302 PolarHBondContact O-OG1 2.97Å
299	L	95.3	Very high	92.7	Very high	74 Å²	74	81.3 Å²	81.3	39%	0.387	41%	0.414	S	S	.	.	H	α-helix	trans	-61.4	-43.1	179.1	-70.1	174.5	0	0	0	111.3	V279 L295 I296 T297 H301 T302 L303	V279-L299 HydrophobicContact CG1-CB 3.69Å; V279-L299 HydrophobicContact CG2-CB 4.43Å; L295-L299 WeakPolarHBondContact O-CG 3.27Å; L295-L299 PolarHBondContact O-N 2.95Å; I296-L299 PolarHBondContact O-N 3.28Å; T297-L299 PolarHBondContact O-N 3.43Å; L299-H301 PolarHBondContact O-N 2.83Å; L299-T302 PolarHBondContact O-N 3.31Å; L299-L303 WeakPolarHBondContact O-CB 3.22Å; L299-L303 PolarHBondContact O-N 3.49Å
300	R	91.7	Very high	92.9	Very high	46 Å²	46	82.8 Å²	82.8	17%	0.174	42%	0.422	C	S	.	.	H	α-helix	trans	-56.7	-39.7	178.1	177.8	59.7	178.8	149.2	2.2	112.1	V279 Y283 Y284 I296 T297 Y298	V279-R300 HydrophobicContact CG1-CB 4.29Å; Y283-R300 HydrophobicContact CD1-CG 3.93Å; Y283-R300 HydrophobicContact CD2-CB 4.15Å; Y283-R300 HydrophobicContact CD2-CG 4.15Å; Y283-R300 HydrophobicContact CE1-CG 4.28Å; Y283-R300 HydrophobicContact CE2-CG 4.46Å; Y283-R300 HydrophobicContact CG-CB 4.19Å; Y283-R300 HydrophobicContact CG-CG 3.87Å; Y284-R300 PolarHBondContact OH-NH2 3.02Å; Y284-R300 VanDerWaalsContact OH-NH2 3.12Å; I296-R300 VanDerWaalsContact O-CB 3.25Å; I296-R300 WeakPolarHBondContact O-CB 3.34Å; I296-R300 PolarHBondContact O-N 3.29Å; T297-R300 PolarHBondContact O-N 3.02Å; Y298-R300 VanDerWaalsContact C-N 3.34Å; Y298-R300 PolarHBondContact O-N 3.17Å
301	H	90.9	Very high	93.1	Very high	106 Å²	106	79.2 Å²	79.2	49%	0.491	40%	0.397	S	S	.	.	H	α-helix	trans	-91.2	-7	-176.8	-66.5	-61.6	0	0	0	115	T297 Y298 L299 W304	T297-H301 PolarHBondContact O-CD2 3.29Å; T297-H301 PolarHBondContact O-N 3.38Å; T297-H301 VanDerWaalsContact O-N 3.11Å; Y298-H301 PolarHBondContact O-N 3.29Å; L299-H301 PolarHBondContact O-N 2.83Å; H301-W304 PolarHBondContact O-NE1 3.16Å
302	T	95.2	Very high	93.2	Very high	37 Å²	37	81.4 Å²	81.4	23%	0.227	41%	0.407	C	S	.	.	H	α-helix	trans	-117.5	-28.4	-178.8	55.4	0	0	0	0	113.7	Y298 L299 W304 I305	Y298-T302 HydrophobicContact CD2-CG2 3.99Å; Y298-T302 HydrophobicContact CE1-CG2 4.35Å; Y298-T302 HydrophobicContact CE2-CG2 3.65Å; Y298-T302 HydrophobicContact CG-CG2 4.49Å; Y298-T302 WeakPolarHBondContact O-CB 3.4Å; Y298-T302 WeakPolarHBondContact O-CG2 3.29Å; Y298-T302 PolarHBondContact O-N 3.39Å; Y298-T302 PolarHBondContact O-OG1 2.97Å; L299-T302 PolarHBondContact O-N 3.31Å; T302-W304 VanDerWaalsContact C-N 3.28Å; T302-W304 PolarHBondContact O-N 2.69Å; T302-I305 WeakPolarHBondContact O-CB 3.41Å; T302-I305 VanDerWaalsContact O-CG1 3.28Å; T302-I305 WeakPolarHBondContact O-CG1 3.39Å; T302-I305 PolarHBondContact O-N 3.42Å
303	L	92.5	Very high	93.5	Very high	28 Å²	28	76.9 Å²	76.9	15%	0.147	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-30	-171.4	-169.5	64	0	0	0	113.3	L275 I276 V279 L299 I305 I306 L307	L275-L303 HydrophobicContact CG-CD2 4.36Å; I276-L303 HydrophobicContact CD1-CB 3.95Å; I276-L303 HydrophobicContact CD1-CD2 3.93Å; I276-L303 HydrophobicContact CD1-CG 3.98Å; V279-L303 HydrophobicContact CB-CD2 4.27Å; V279-L303 HydrophobicContact CG2-CD2 3.8Å; L299-L303 WeakPolarHBondContact O-CB 3.22Å; L299-L303 PolarHBondContact O-N 3.49Å; L303-I305 PolarHBondContact O-N 3.28Å; L303-I306 PolarHBondContact O-N 2.88Å; L303-L307 HydrophobicContact CD1-CD1 3.97Å; L303-L307 HydrophobicContact CD1-CG 4.14Å; L303-L307 HydrophobicContact CD2-CD1 3.76Å; L303-L307 HydrophobicContact CG-CD1 3.53Å; L303-L307 HydrophobicContact CG-CG 3.98Å; L303-L307 PolarHBondContact O-N 3.1Å
304	W	89.8	Confident	93.7	Very high	127 Å²	127	74.4 Å²	74.4	48%	0.481	38%	0.375	S	S	.	.	H	α-helix	trans	-60.9	-27.7	175.4	69.9	-90.6	0	0	0	112.7	H301 T302 I306 Y308	H301-W304 PolarHBondContact O-NE1 3.16Å; T302-W304 VanDerWaalsContact C-N 3.28Å; T302-W304 PolarHBondContact O-N 2.69Å; W304-I306 PolarHBondContact O-N 2.98Å; W304-Y308 HydrophobicContact CB-CD1 4Å; W304-Y308 HydrophobicContact CB-CD2 4.16Å; W304-Y308 HydrophobicContact CB-CE1 3.93Å; W304-Y308 HydrophobicContact CB-CE2 4.1Å; W304-Y308 HydrophobicContact CB-CG 4.13Å; W304-Y308 HydrophobicContact CE3-CD2 4.31Å; W304-Y308 VanDerWaalsContact O-CB 3.26Å; W304-Y308 WeakPolarHBondContact O-CB 3.48Å; W304-Y308 PolarHBondContact O-N 2.82Å
305	I	94.6	Very high	93.7	Very high	97 Å²	97	73.2 Å²	73.2	50%	0.497	35%	0.353	S	S	.	.	H	α-helix	trans	-59	-36.4	179.2	-60.1	171	0	0	0	110.7	T302 L303 P309	T302-I305 WeakPolarHBondContact O-CB 3.41Å; T302-I305 VanDerWaalsContact O-CG1 3.28Å; T302-I305 WeakPolarHBondContact O-CG1 3.39Å; T302-I305 PolarHBondContact O-N 3.42Å; L303-I305 PolarHBondContact O-N 3.28Å; I305-P309 WeakPolarHBondContact O-CD 3.41Å; I305-P309 WeakPolarHBondContact O-CG 3.23Å
306	I	94.5	Very high	93.6	Very high	110 Å²	110	68.3 Å²	68.3	56%	0.564	33%	0.334	S	S	*	.	H	α-helix	trans	-94.5	-46.2	-179	-59.7	173.7	0	0	0	110.9	L303 W304 P309 I310	L303-I306 PolarHBondContact O-N 2.88Å; W304-I306 PolarHBondContact O-N 2.98Å; I306-P309 WeakPolarHBondContact O-CD 3.26Å; I306-I310 HydrophobicContact CG2-CD1 4.08Å; I306-I310 WeakPolarHBondContact O-CG1 3.5Å
307	L	93.7	Very high	93.6	Very high	11 Å²	11	71.3 Å²	71.3	6%	0.058	35%	0.345	C	S	.	.	H	α-helix	trans	-77.8	-29	-169.6	-64.4	-172.8	0	0	0	113.9	L275 I276 L303 I310 G311	L275-L307 HydrophobicContact CB-CD1 3.99Å; L275-L307 HydrophobicContact CD2-CD1 4.02Å; L275-L307 HydrophobicContact CD2-CD2 4.18Å; L275-L307 HydrophobicContact CG-CD1 3.98Å; I276-L307 HydrophobicContact CB-CD1 3.91Å; I276-L307 HydrophobicContact CD1-CD1 4.37Å; L303-L307 HydrophobicContact CD1-CD1 3.97Å; L303-L307 HydrophobicContact CD1-CG 4.14Å; L303-L307 HydrophobicContact CD2-CD1 3.76Å; L303-L307 HydrophobicContact CG-CD1 3.53Å; L303-L307 HydrophobicContact CG-CG 3.98Å; L303-L307 PolarHBondContact O-N 3.1Å; L307-I310 HydrophobicContact CD2-CD1 4.37Å; L307-I310 PolarHBondContact O-N 3.08Å; L307-G311 PolarHBondContact O-N 3.46Å
308	Y	91.9	Very high	93.6	Very high	101 Å²	101	69.2 Å²	69.2	40%	0.396	33%	0.332	S	S	.	.	H	α-helix	trans	-69	-43.1	179.2	-76	13.4	0	0	0	112.3	Q242 I276 W304 I310 G311 F312	Q242-Y308 PolarHBondContact NE2-OH 3.19Å; I276-Y308 HydrophobicContact CG1-CE1 4.42Å; W304-Y308 HydrophobicContact CB-CD1 4Å; W304-Y308 HydrophobicContact CB-CD2 4.16Å; W304-Y308 HydrophobicContact CB-CE1 3.93Å; W304-Y308 HydrophobicContact CB-CE2 4.1Å; W304-Y308 HydrophobicContact CB-CG 4.13Å; W304-Y308 HydrophobicContact CE3-CD2 4.31Å; W304-Y308 VanDerWaalsContact O-CB 3.26Å; W304-Y308 WeakPolarHBondContact O-CB 3.48Å; W304-Y308 PolarHBondContact O-N 2.82Å; Y308-I310 VanDerWaalsContact C-N 3.3Å; Y308-I310 PolarHBondContact O-N 3.31Å; Y308-G311 PolarHBondContact O-N 2.97Å; Y308-F312 VanDerWaalsContact O-CB 3.25Å; Y308-F312 WeakPolarHBondContact O-CB 3.3Å; Y308-F312 PolarHBondContact O-N 3.31Å
309	P	95.6	Very high	93.4	Very high	65 Å²	65	65.5 Å²	65.5	42%	0.422	32%	0.322	S	S	.	.	H	α-helix	trans	-55	-43.6	169.8	-29	35.3	0	0	0	113.3	I305 I306 I313	I305-P309 WeakPolarHBondContact O-CD 3.41Å; I305-P309 WeakPolarHBondContact O-CG 3.23Å; I306-P309 WeakPolarHBondContact O-CD 3.26Å; P309-I313 WeakPolarHBondContact O-CB 3.34Å; P309-I313 WeakPolarHBondContact O-CD1 3.31Å; P309-I313 WeakPolarHBondContact O-CG1 3.39Å; P309-I313 PolarHBondContact O-N 3.23Å
310	I	94.5	Very high	93.2	Very high	63 Å²	63	67.9 Å²	67.9	32%	0.323	33%	0.334	S	S	.	.	H	α-helix	trans	-65	-48.7	178.8	-61.8	171.2	0	0	0	110.6	S272 I306 L307 Y308 I313 C314	S272-I310 WeakPolarHBondContact OG-CG2 3.38Å; I306-I310 HydrophobicContact CG2-CD1 4.08Å; I306-I310 WeakPolarHBondContact O-CG1 3.5Å; L307-I310 HydrophobicContact CD2-CD1 4.37Å; L307-I310 PolarHBondContact O-N 3.08Å; Y308-I310 VanDerWaalsContact C-N 3.3Å; Y308-I310 PolarHBondContact O-N 3.31Å; I310-I313 PolarHBondContact O-N 2.97Å; I310-C314 WeakPolarHBondContact O-CB 3.26Å; I310-C314 PolarHBondContact O-N 3.29Å; I310-C314 PolarHBondContact O-SG 2.98Å
311	G	93.3	Very high	93.2	Very high	6 Å²	6	72.7 Å²	72.7	6%	0.062	35%	0.352	C	S	.	.	H	α-helix	trans	-56.1	-52.5	176.5	0	0	0	0	0	111.4	L307 Y308 I313 C314 E315	L307-G311 PolarHBondContact O-N 3.46Å; Y308-G311 PolarHBondContact O-N 2.97Å; G311-I313 PolarHBondContact O-N 3.48Å; G311-C314 PolarHBondContact O-N 3.16Å; G311-C314 VanDerWaalsContact O-N 3.13Å; G311-E315 WeakPolarHBondContact O-CB 3.36Å; G311-E315 VanDerWaalsContact O-CG 3.3Å; G311-E315 WeakPolarHBondContact O-CG 3.32Å; G311-E315 PolarHBondContact O-N 2.79Å
312	F	92.8	Very high	93.1	Very high	159 Å²	159	67.7 Å²	67.7	70%	0.697	33%	0.329	S	S	*	.	H	α-helix	trans	-59.5	-44.8	180	-175.4	-98.8	0	0	0	112.9	Y308 C314 G316	Y308-F312 VanDerWaalsContact O-CB 3.25Å; Y308-F312 WeakPolarHBondContact O-CB 3.3Å; Y308-F312 PolarHBondContact O-N 3.31Å; F312-C314 VanDerWaalsContact C-N 3.33Å; F312-C314 PolarHBondContact O-N 3.45Å; F312-G316 PolarHBondContact O-N 3.24Å
313	I	95.6	Very high	92.7	Very high	92 Å²	92	70.2 Å²	70.2	47%	0.472	34%	0.341	S	S	.	.	H	α-helix	trans	-63	-41	176.5	-70.2	166.2	0	0	0	110.9	P309 I310 G311 K317	P309-I313 WeakPolarHBondContact O-CB 3.34Å; P309-I313 WeakPolarHBondContact O-CD1 3.31Å; P309-I313 WeakPolarHBondContact O-CG1 3.39Å; P309-I313 PolarHBondContact O-N 3.23Å; I310-I313 PolarHBondContact O-N 2.97Å; G311-I313 PolarHBondContact O-N 3.48Å; I313-K317 HydrophobicContact CG2-CD 4.12Å; I313-K317 WeakPolarHBondContact O-CB 3.46Å; I313-K317 VanDerWaalsContact O-CG 3.29Å; I313-K317 WeakPolarHBondContact O-CG 3.4Å; I313-K317 PolarHBondContact O-N 3.15Å
314	C	95.6	Very high	92.3	Very high	12 Å²	12	70.5 Å²	70.5	8%	0.081	34%	0.344	C	S	.	.	H	α-helix	trans	-70.6	-45.7	-179.6	-66.4	0	0	0	0	111.8	T265 L269 I310 G311 F312 K317 L318	T265-C314 HydrophobicContact CG2-CB 3.72Å; T265-C314 WeakPolarHBondContact CG2-O 3.5Å; L269-C314 HydrophobicContact CB-CB 3.9Å; L269-C314 HydrophobicContact CD1-CB 3.96Å; L269-C314 HydrophobicContact CG-CB 4.42Å; I310-C314 WeakPolarHBondContact O-CB 3.26Å; I310-C314 PolarHBondContact O-N 3.29Å; I310-C314 PolarHBondContact O-SG 2.98Å; G311-C314 PolarHBondContact O-N 3.16Å; G311-C314 VanDerWaalsContact O-N 3.13Å; F312-C314 VanDerWaalsContact C-N 3.33Å; F312-C314 PolarHBondContact O-N 3.45Å; C314-K317 PolarHBondContact O-N 3.43Å; C314-L318 WeakPolarHBondContact O-CG 3.5Å; C314-L318 PolarHBondContact O-N 3.46Å
315	E	92.7	Very high	91.9	Very high	39 Å²	39	66.7 Å²	66.7	18%	0.182	33%	0.333	C	S	.	.	H	α-helix	trans	-58.5	-49.5	175.1	-70	178	-168	0	0	110.8	V249 L269 W273 G311 K317 L318 I319	V249-E315 HydrophobicContact CG2-CB 4.16Å; V249-E315 HydrophobicContact CG2-CG 4.02Å; L269-E315 HydrophobicContact CD1-CG 3.59Å; L269-E315 HydrophobicContact CD2-CG 4.11Å; W273-E315 HydrophobicContact CZ2-CG 4.2Å; W273-E315 WeakPolarHBondContact CZ2-OE1 3.25Å; W273-E315 PolarHBondContact NE1-OE1 2.97Å; G311-E315 WeakPolarHBondContact O-CB 3.36Å; G311-E315 VanDerWaalsContact O-CG 3.3Å; G311-E315 WeakPolarHBondContact O-CG 3.32Å; G311-E315 PolarHBondContact O-N 2.79Å; E315-K317 VanDerWaalsContact C-N 3.34Å; E315-K317 PolarHBondContact O-N 3.09Å; E315-L318 PolarHBondContact O-N 3.16Å; E315-L318 VanDerWaalsContact O-N 3.16Å; E315-I319 VanDerWaalsContact O-CG1 3.27Å; E315-I319 WeakPolarHBondContact O-CG1 3.4Å; E315-I319 PolarHBondContact O-N 3.11Å
316	G	93.5	Very high	91.1	Very high	27 Å²	27	66.5 Å²	66.5	28%	0.278	33%	0.332	S	S	.	.	H	α-helix	trans	-59.4	-42.6	177.4	0	0	0	0	0	112.8	F312 L318 I319 I320	F312-G316 PolarHBondContact O-N 3.24Å; G316-L318 PolarHBondContact O-N 3.36Å; G316-I319 PolarHBondContact O-N 2.93Å; G316-I320 WeakPolarHBondContact O-CB 3.25Å; G316-I320 WeakPolarHBondContact O-CD1 3.38Å; G316-I320 VanDerWaalsContact O-CG1 3.25Å; G316-I320 WeakPolarHBondContact O-CG1 3.49Å; G316-I320 PolarHBondContact O-N 2.89Å
317	K	94	Very high	90.4	Very high	105 Å²	105	66.4 Å²	66.4	46%	0.457	33%	0.332	S	S	.	.	H	α-helix	trans	-64.3	-37.7	175.9	-81.6	177.7	177.3	177.3	0	112.9	T265 I313 C314 E315 R321	T265-K317 HydrophobicContact CG2-CB 3.98Å; I313-K317 HydrophobicContact CG2-CD 4.12Å; I313-K317 WeakPolarHBondContact O-CB 3.46Å; I313-K317 VanDerWaalsContact O-CG 3.29Å; I313-K317 WeakPolarHBondContact O-CG 3.4Å; I313-K317 PolarHBondContact O-N 3.15Å; C314-K317 PolarHBondContact O-N 3.43Å; E315-K317 VanDerWaalsContact C-N 3.34Å; E315-K317 PolarHBondContact O-N 3.09Å; K317-R321 WeakPolarHBondContact O-CB 3.42Å; K317-R321 WeakPolarHBondContact O-CG 3.39Å; K317-R321 PolarHBondContact O-N 3.03Å; K317-R321 VanDerWaalsContact O-N 3.16Å
318	L	93	Very high	89.1	Confident	1 Å²	1	68.6 Å²	68.6	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-69.2	-45.2	176.5	-72.3	174.2	0	0	0	111.1	V249 I253 V254 F260 T265 L269 C314 E315 G316 I320 R321 S322	V249-L318 HydrophobicContact CG1-CD1 3.93Å; I253-L318 HydrophobicContact CG2-CB 4.33Å; V254-L318 HydrophobicContact CG2-CD1 3.96Å; F260-L318 HydrophobicContact CB-CD2 4.24Å; F260-L318 HydrophobicContact CD1-CD2 3.44Å; F260-L318 VanDerWaalsContact CD1-CD2 3.44Å; F260-L318 HydrophobicContact CE1-CD2 3.96Å; F260-L318 HydrophobicContact CG-CD2 3.87Å; T265-L318 HydrophobicContact CG2-CD2 4.31Å; T265-L318 HydrophobicContact CG2-CG 4Å; L269-L318 HydrophobicContact CD2-CD1 3.47Å; L269-L318 VanDerWaalsContact CD2-CD1 3.47Å; C314-L318 WeakPolarHBondContact O-CG 3.5Å; C314-L318 PolarHBondContact O-N 3.46Å; E315-L318 PolarHBondContact O-N 3.16Å; E315-L318 VanDerWaalsContact O-N 3.16Å; G316-L318 PolarHBondContact O-N 3.36Å; L318-I320 PolarHBondContact O-N 3.08Å; L318-R321 CarbonylContact O-C 3.53Å; L318-R321 PolarHBondContact O-N 3.17Å; L318-S322 WeakPolarHBondContact O-CB 3.49Å; L318-S322 PolarHBondContact O-N 3.3Å; L318-S322 PolarHBondContact O-OG 3.39Å
319	I	91.1	Very high	87.4	Confident	69 Å²	69	66.8 Å²	66.8	35%	0.354	35%	0.353	S	S	.	.	H	α-helix	trans	-59.8	-46.2	177.8	-67.5	162.8	0	0	0	111.3	V249 I253 E315 G316 R321 S322 L323	V249-I319 HydrophobicContact CG2-CD1 4.29Å; V249-I319 HydrophobicContact CG2-CG1 4.41Å; I253-I319 HydrophobicContact CD1-CB 4.26Å; I253-I319 HydrophobicContact CD1-CG1 3.46Å; I253-I319 VanDerWaalsContact CD1-CG1 3.46Å; E315-I319 VanDerWaalsContact O-CG1 3.27Å; E315-I319 WeakPolarHBondContact O-CG1 3.4Å; E315-I319 PolarHBondContact O-N 3.11Å; G316-I319 PolarHBondContact O-N 2.93Å; I319-R321 VanDerWaalsContact C-N 3.33Å; I319-R321 PolarHBondContact O-N 2.99Å; I319-S322 WeakPolarHBondContact CA-OG 3.47Å; I319-S322 PolarHBondContact O-N 3Å; I319-S322 PolarHBondContact O-OG 3.37Å; I319-L323 PolarHBondContact O-N 3.29Å; I319-L323 VanDerWaalsContact O-N 3.15Å
320	I	91.5	Very high	85.3	Confident	125 Å²	125	67.7 Å²	67.7	64%	0.641	36%	0.36	S	S	*	.	H	α-helix	trans	-63.6	-41.7	178.7	-68.2	166.1	0	0	0	110.6	G316 L318 S322 L323	G316-I320 WeakPolarHBondContact O-CB 3.25Å; G316-I320 WeakPolarHBondContact O-CD1 3.38Å; G316-I320 VanDerWaalsContact O-CG1 3.25Å; G316-I320 WeakPolarHBondContact O-CG1 3.49Å; G316-I320 PolarHBondContact O-N 2.89Å; L318-I320 PolarHBondContact O-N 3.08Å; I320-S322 VanDerWaalsContact C-N 3.34Å; I320-L323 PolarHBondContact O-N 2.98Å
321	R	90.7	Very high	83.3	Confident	146 Å²	146	71.1 Å²	71.1	55%	0.551	37%	0.372	S	S	*	.	H	α-helix	trans	-72.7	-25.1	178.6	-75.1	-170.2	172.5	105.6	-1	113.5	F260 K317 L318 I319 P324	F260-R321 HydrophobicContact CE1-CB 3.75Å; F260-R321 HydrophobicContact CZ-CB 4Å; K317-R321 WeakPolarHBondContact O-CB 3.42Å; K317-R321 WeakPolarHBondContact O-CG 3.39Å; K317-R321 PolarHBondContact O-N 3.03Å; K317-R321 VanDerWaalsContact O-N 3.16Å; L318-R321 CarbonylContact O-C 3.53Å; L318-R321 PolarHBondContact O-N 3.17Å; I319-R321 VanDerWaalsContact C-N 3.33Å; I319-R321 PolarHBondContact O-N 2.99Å; R321-P324 WeakPolarHBondContact O-CD 3.35Å
322	S	88.4	Confident	81.3	Confident	1 Å²	1	77.1 Å²	77.1	1%	0.007	40%	0.401	C	S	.	.	H	α-helix	trans	-81.9	-19.3	177.3	70.7	0	0	0	0	112.6	L318 I319 I320 L325 L326	L318-S322 WeakPolarHBondContact O-CB 3.49Å; L318-S322 PolarHBondContact O-N 3.3Å; L318-S322 PolarHBondContact O-OG 3.39Å; I319-S322 WeakPolarHBondContact CA-OG 3.47Å; I319-S322 PolarHBondContact O-N 3Å; I319-S322 PolarHBondContact O-OG 3.37Å; I320-S322 VanDerWaalsContact C-N 3.34Å; S322-L325 CarbonylContact O-C 3.59Å; S322-L325 WeakPolarHBondContact O-CA 3.44Å; S322-L325 WeakPolarHBondContact O-CB 3.38Å; S322-L325 PolarHBondContact O-N 2.68Å; S322-L326 WeakPolarHBondContact O-CG 3.48Å; S322-L326 PolarHBondContact O-N 3.09Å
323	L	86.8	Confident	79.1	Confident	91 Å²	91	75 Å²	75	48%	0.476	40%	0.397	S	S	.	.	H	α-helix	trans	-54.9	-45.1	-176	-167	66.9	0	0	0	114.2	I319 I320 L325 L326 I327	I319-L323 PolarHBondContact O-N 3.29Å; I319-L323 VanDerWaalsContact O-N 3.15Å; I320-L323 PolarHBondContact O-N 2.98Å; L323-L325 VanDerWaalsContact C-N 3.28Å; L323-L325 PolarHBondContact O-N 3Å; L323-L326 PolarHBondContact O-N 2.71Å; L323-I327 HydrophobicContact CD1-CD1 3.69Å; L323-I327 HydrophobicContact CD1-CG1 4.19Å; L323-I327 HydrophobicContact CD2-CD1 4.37Å; L323-I327 HydrophobicContact CG-CD1 3.69Å; L323-I327 HydrophobicContact CG-CG1 4.42Å; L323-I327 WeakPolarHBondContact O-CG1 3.39Å; L323-I327 PolarHBondContact O-N 3.28Å
324	P	84.2	Confident	76.9	Confident	33 Å²	33	76.4 Å²	76.4	21%	0.214	40%	0.4	C	S	.	.	H	α-helix	trans	-63.5	-33.4	175.2	-21	34.1	0	0	0	113.1	R321 G328 I329 F334	R321-P324 WeakPolarHBondContact O-CD 3.35Å; P324-G328 PolarHBondContact O-N 3.15Å; P324-I329 PolarHBondContact O-N 3.45Å; P324-I329 VanDerWaalsContact O-N 3.15Å; P324-F334 HydrophobicContact CB-CE2 4.44Å; P324-F334 HydrophobicContact CG-CE2 4.09Å
325	L	81.8	Confident	74.6	Confident	47 Å²	47	85.4 Å²	85.4	25%	0.246	43%	0.432	C	S	.	.	H	α-helix	trans	-72.1	-36.1	178	-55.8	176.5	0	0	0	111.5	H257 F260 S322 L323	H257-L325 HydrophobicContact CB-CD1 4.28Å; F260-L325 HydrophobicContact CE2-CD1 4.15Å; F260-L325 HydrophobicContact CZ-CD1 4.22Å; S322-L325 CarbonylContact O-C 3.59Å; S322-L325 WeakPolarHBondContact O-CA 3.44Å; S322-L325 WeakPolarHBondContact O-CB 3.38Å; S322-L325 PolarHBondContact O-N 2.68Å; L323-L325 VanDerWaalsContact C-N 3.28Å; L323-L325 PolarHBondContact O-N 3Å
326	L	77	Confident	72.6	Confident	94 Å²	94	87.7 Å²	87.7	49%	0.492	45%	0.449	S	S	.	.	H	α-helix	trans	-75.2	-38.8	179	-68.7	173	0	0	0	112.9	S322 L323 G328	S322-L326 WeakPolarHBondContact O-CG 3.48Å; S322-L326 PolarHBondContact O-N 3.09Å; L323-L326 PolarHBondContact O-N 2.71Å; L326-G328 VanDerWaalsContact C-N 3.27Å
327	I	79.8	Confident	70.5	Confident	108 Å²	108	91.1 Å²	91.1	55%	0.554	46%	0.464	S	S	*	.	H	α-helix	trans	-80.8	-11.2	-179.9	-59.9	174	0	0	0	111.2	L323 I329	L323-I327 HydrophobicContact CD1-CD1 3.69Å; L323-I327 HydrophobicContact CD1-CG1 4.19Å; L323-I327 HydrophobicContact CD2-CD1 4.37Å; L323-I327 HydrophobicContact CG-CD1 3.69Å; L323-I327 HydrophobicContact CG-CG1 4.42Å; L323-I327 WeakPolarHBondContact O-CG1 3.39Å; L323-I327 PolarHBondContact O-N 3.28Å; I327-I329 VanDerWaalsContact C-N 3.28Å; I327-I329 HydrophobicContact CB-CD1 4.23Å; I327-I329 HydrophobicContact CB-CG1 3.95Å; I327-I329 HydrophobicContact CG2-CD1 3.89Å; I327-I329 HydrophobicContact CG2-CG1 3.6Å; I327-I329 PolarHBondContact O-N 3.25Å
328	G	67.5	Low	68.4	Low	57 Å²	57	94.2 Å²	94.2	59%	0.588	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	23.6	-177.3	0	0	0	0	0	113.2	P324 L326 P330	P324-G328 PolarHBondContact O-N 3.15Å; L326-G328 VanDerWaalsContact C-N 3.27Å; G328-P330 VanDerWaalsContact O-CD 3.31Å; G328-P330 WeakPolarHBondContact O-CD 3.31Å
329	I	56.3	Low	66	Low	62 Å²	62	102.4 Å²	102.4	32%	0.318	52%	0.516	S	S	.	.			trans	-69.8	119.8	178	-57.3	178.5	0	0	0	107.7	P324 I327 K331 L333	P324-I329 PolarHBondContact O-N 3.45Å; P324-I329 VanDerWaalsContact O-N 3.15Å; I327-I329 VanDerWaalsContact C-N 3.28Å; I327-I329 HydrophobicContact CB-CD1 4.23Å; I327-I329 HydrophobicContact CB-CG1 3.95Å; I327-I329 HydrophobicContact CG2-CD1 3.89Å; I327-I329 HydrophobicContact CG2-CG1 3.6Å; I327-I329 PolarHBondContact O-N 3.25Å; I329-K331 PolarHBondContact O-N 3.47Å; I329-L333 HydrophobicContact CG2-CB 4.5Å
330	P	50.1	Low	63.6	Low	85 Å²	85	107.6 Å²	107.6	55%	0.552	56%	0.559	S	S	*	*			trans	-56.1	131.2	173.8	-19.6	30.4	0	0	0	109.3	G328 I332 L333	G328-P330 VanDerWaalsContact O-CD 3.31Å; G328-P330 WeakPolarHBondContact O-CD 3.31Å; P330-I332 HydrophobicContact CB-CD1 4.44Å; P330-I332 HydrophobicContact CB-CG1 4.44Å; P330-I332 PolarHBondContact O-N 3.38Å; P330-L333 PolarHBondContact O-N 2.72Å
331	K	53.2	Low	62.2	Low	134 Å²	134	106.8 Å²	106.8	58%	0.583	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.5	-5.7	179.8	-71.9	-173.3	177.7	-179.2	0	115	E259 I329 L333	E259-K331 VanDerWaalsContact CD-NZ 3.26Å; E259-K331 IonicContact OE1-NZ 2.71Å; E259-K331 PolarHBondContact OE1-NZ 3.13Å; E259-K331 IonicContact OE2-NZ 3.09Å; E259-K331 PolarHBondContact OE2-NZ 3.14Å; E259-K331 VanDerWaalsContact OE2-NZ 3.09Å; I329-K331 PolarHBondContact O-N 3.47Å; K331-L333 VanDerWaalsContact C-N 3.32Å; K331-L333 PolarHBondContact O-N 3.42Å
332	I	51.8	Low	60.7	Low	132 Å²	132	104.7 Å²	104.7	68%	0.677	56%	0.555	S	S	*	*	H	α-helix	trans	-63.9	-32.3	-179.8	-58.2	173.3	0	0	0	111.9	P330 F334 R335	P330-I332 HydrophobicContact CB-CD1 4.44Å; P330-I332 HydrophobicContact CB-CG1 4.44Å; P330-I332 PolarHBondContact O-N 3.38Å; I332-F334 PolarHBondContact O-N 2.99Å; I332-R335 PolarHBondContact O-N 3.49Å
333	L	46.3	Very low	59.2	Low	116 Å²	116	110.4 Å²	110.4	61%	0.607	59%	0.585	S	S	*	*	H	α-helix	trans	-73.2	-26.9	-174.1	-156.6	76.4	0	0	0	114.2	I329 P330 K331 T336	I329-L333 HydrophobicContact CG2-CB 4.5Å; P330-L333 PolarHBondContact O-N 2.72Å; K331-L333 VanDerWaalsContact C-N 3.32Å; K331-L333 PolarHBondContact O-N 3.42Å; L333-T336 PolarHBondContact O-OG1 3.43Å
334	F	49.3	Very low	57.6	Low	121 Å²	121	111.6 Å²	111.6	53%	0.531	59%	0.592	S	S	.	*	H	α-helix	trans	-86.4	-17.4	179.8	-72.5	-73.4	0	0	0	113.7	P324 I332 T336 T337	P324-F334 HydrophobicContact CB-CE2 4.44Å; P324-F334 HydrophobicContact CG-CE2 4.09Å; I332-F334 PolarHBondContact O-N 2.99Å; F334-T336 VanDerWaalsContact C-N 3.28Å; F334-T336 PolarHBondContact O-N 3.23Å; F334-T337 PolarHBondContact O-OG1 3.49Å
335	R	47	Very low	55.9	Low	200 Å²	200	116.5 Å²	116.5	76%	0.755	62%	0.615	S	S	*	*	H	α-helix	trans	-75.3	-20.6	175.4	-153.8	175.8	-157.9	178.4	5.5	112.4	I332	I332-R335 PolarHBondContact O-N 3.49Å
336	T	51.4	Low	54.2	Low	87 Å²	87	121.1 Å²	121.1	53%	0.534	64%	0.64	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.4	-10.9	179.5	49.7	0	0	0	0	113.8	L333 F334	L333-T336 PolarHBondContact O-OG1 3.43Å; F334-T336 VanDerWaalsContact C-N 3.28Å; F334-T336 PolarHBondContact O-N 3.23Å
337	T	49.4	Very low	52.6	Low	100 Å²	100	123.1 Å²	123.1	61%	0.613	65%	0.651	S	S	*	*	S	Bend	trans	-96.2	-7	178.6	53.1	0	0	0	0	114.4	F334	F334-T337 PolarHBondContact O-OG1 3.49Å
338	E	49	Very low	50.5	Low	169 Å²	169	124.2 Å²	124.2	79%	0.79	66%	0.658	S	S	*	*	S	Bend	trans	-93.9	0	171.7	-72.2	-173.1	168.2	0	0	113.2
339	F	43.8	Very low	49	Very low	174 Å²	174	129.8 Å²	129.8	76%	0.763	66%	0.664	S	S	*	*			trans	-122.7	64.1	173.2	-78.9	-83	0	0	0	110.8
340	S	40.8	Very low	48.4	Very low	178 Å²	178	136 Å²	136	100%	1.245	70%	0.695	S	S	*	*			trans	-155.7	0	157.1	-71.5	0	0	0	0	107.1

Retrieved 340 of 340 residues in 639.5 ms (Link to these results)

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