A0A096NME0_PAPAN Loading...

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 (I7GJV7), UniProt , Accession A0A096NME0, Species PAPAN (Papio anubis, Olive baboon), Gene HACD3, Length 362 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.4	Very low	75.3	Confident	239 Å²	239	99 Å²	99	100%	1.177	50%	0.498	S	S	*	.				0	110.9	0	-65.8	178.2	-159.4	0	0	105.9	N3	M1-N3 PolarHBondContact O-N 3.09Å
2	E	42.7	Very low	76.9	Confident	192 Å²	192	92.5 Å²	92.5	90%	0.897	46%	0.463	S	S	*	.			trans	-66.5	122.1	175.8	-72.9	174.1	158.2	0	0	108.3	Q4	E2-Q4 PolarHBondContact O-N 2.75Å
3	N	54.8	Low	78.2	Confident	158 Å²	158	85.4 Å²	85.4	85%	0.845	43%	0.427	S	S	*	.			trans	-64.7	102.8	172.4	-87.8	-10.4	0	0	0	108	M1 V5	M1-N3 PolarHBondContact O-N 3.09Å; N3-V5 PolarHBondContact O-N 3.11Å; N3-V5 VanDerWaalsContact O-N 3.13Å
4	Q	69.9	Low	79.2	Confident	153 Å²	153	79.9 Å²	79.9	72%	0.715	40%	0.4	S	S	*	.			trans	-65.9	112	177.4	-170.4	178.3	15.2	0	0	109.2	E2 L6	E2-Q4 PolarHBondContact O-N 2.75Å; Q4-L6 HydrophobicContact CG-CD2 4.26Å; Q4-L6 PolarHBondContact O-N 3.44Å
5	V	78	Confident	80.1	Confident	102 Å²	102	77.5 Å²	77.5	62%	0.618	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-67.9	124.1	174.5	-178.7	0	0	0	0	108.8	N3 E56	N3-V5 PolarHBondContact O-N 3.11Å; N3-V5 VanDerWaalsContact O-N 3.13Å; V5-E56 HydrophobicContact CG1-CB 4.19Å
6	L	86.9	Confident	80.6	Confident	16 Å²	16	73.8 Å²	73.8	8%	0.084	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-98.3	124.4	178.2	-59.6	-173	0	0	0	110	Q4 K50 N53 Y55 E56	Q4-L6 HydrophobicContact CG-CD2 4.26Å; Q4-L6 PolarHBondContact O-N 3.44Å; L6-K50 HydrophobicContact CD1-CB 4.13Å; L6-K50 HydrophobicContact CD1-CD 4.19Å; L6-K50 HydrophobicContact CD2-CD 3.53Å; L6-K50 HydrophobicContact CG-CD 4.4Å; L6-N53 HydrophobicContact CD1-CB 3.54Å; L6-N53 WeakPolarHBondContact CD1-ND2 3.38Å; L6-Y55 HydrophobicContact CB-CD1 3.82Å; L6-Y55 HydrophobicContact CB-CE1 3.82Å; L6-Y55 VanDerWaalsContact O-CA 3.3Å; L6-Y55 WeakPolarHBondContact O-CA 3.02Å; L6-E56 PolarHBondContact O-N 3.37Å
7	T	88.6	Confident	81.1	Confident	73 Å²	73	77.3 Å²	77.3	45%	0.448	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-98.2	132.4	176.7	47.5	0	0	0	0	110.3	E56 F57 F102	T7-E56 WeakPolarHBondContact CG2-O 3.22Å; T7-F57 HydrophobicContact CG2-CB 4.49Å; T7-F102 HydrophobicContact CG2-CD1 4.15Å
8	P	90.3	Very high	81.7	Confident	5 Å²	5	76.6 Å²	76.6	3%	0.032	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-79.7	160.8	174.7	33.5	-33	0	0	0	110.7	V10 V23 L25 F42 Y55 F57 F102	P8-V10 HydrophobicContact CG-CG2 4.33Å; P8-V23 HydrophobicContact CB-CG1 3.77Å; P8-V23 HydrophobicContact CG-CG1 3.63Å; P8-L25 HydrophobicContact CB-CD1 3.86Å; P8-L25 HydrophobicContact CB-CD2 3.95Å; P8-L25 HydrophobicContact CB-CG 3.76Å; P8-L25 HydrophobicContact CG-CD1 4.14Å; P8-F42 HydrophobicContact CG-CE1 4.5Å; P8-Y55 HydrophobicContact CB-CD1 4.01Å; P8-Y55 HydrophobicContact CB-CG 4.34Å; P8-F57 HydrophobicContact CG-CD1 3.7Å; P8-F57 HydrophobicContact CG-CE1 4.11Å; P8-F102 WeakPolarHBondContact O-CB 3.4Å
9	H	91.2	Very high	82.3	Confident	93 Å²	93	72.6 Å²	72.6	43%	0.431	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	129.6	168.8	-74.8	-72.8	0	0	0	110	E24	H9-E24 HydrophobicContact CB-CB 4.28Å; H9-E24 PolarHBondContact O-N 3.47Å
10	V	93.2	Very high	82.9	Confident	0 Å²	0	71 Å²	71	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	123.2	-178.7	-175	0	0	0	0	109.1	P8 L21 R22 V23 F57 F102 L103 A104	P8-V10 HydrophobicContact CG-CG2 4.33Å; V10-L21 HydrophobicContact CG1-CB 4.37Å; V10-L21 HydrophobicContact CG1-CD2 4.43Å; V10-R22 CarbonylContact C-O 3.58Å; V10-R22 WeakPolarHBondContact CA-O 3.21Å; V10-V23 HydrophobicContact CG1-CG2 4.35Å; V10-V23 HydrophobicContact CG2-CG1 4.28Å; V10-V23 HydrophobicContact CG2-CG2 4.2Å; V10-F57 HydrophobicContact CG2-CD1 4.09Å; V10-F57 HydrophobicContact CG2-CE1 3.71Å; V10-F57 HydrophobicContact CG2-CE2 4.49Å; V10-F57 HydrophobicContact CG2-CZ 3.95Å; V10-F102 HydrophobicContact CB-CD2 4.19Å; V10-F102 HydrophobicContact CG2-CD2 3.89Å; V10-F102 HydrophobicContact CG2-CE2 4.21Å; V10-F102 PolarHBondContact N-O 3.23Å; V10-L103 HydrophobicContact CB-CD1 4.22Å; V10-L103 HydrophobicContact CG1-CD1 4.06Å; V10-L103 CarbonylContact O-C 3.38Å; V10-L103 WeakPolarHBondContact O-CA 3.04Å; V10-A104 PolarHBondContact O-N 3.42Å
11	Y	94.1	Very high	83.4	Confident	58 Å²	58	67.8 Å²	67.8	23%	0.227	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	144.6	172.5	-52.7	-90.5	0	0	0	110.2	L21 R22 E24 A104	Y11-L21 CarbonylContact O-C 3.46Å; Y11-L21 WeakPolarHBondContact O-CA 3.22Å; Y11-R22 PolarHBondContact N-O 3.25Å; Y11-R22 PolarHBondContact O-N 2.94Å; Y11-E24 HydrophobicContact CE2-CB 4.16Å; Y11-E24 VanDerWaalsContact CE2-OE2 3.29Å; Y11-E24 WeakPolarHBondContact CE2-OE2 3.45Å; Y11-E24 PolarHBondContact OH-OE2 2.94Å; Y11-A104 CarbonylContact C-O 3.57Å; Y11-A104 WeakPolarHBondContact CA-O 3.14Å; Y11-A104 HydrophobicContact CD1-CB 3.88Å; Y11-A104 HydrophobicContact CE1-CB 4.07Å
12	W	94.3	Very high	86.1	Confident	21 Å²	21	58.2 Å²	58.2	8%	0.08	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	147.7	177.8	79.3	-79.6	0	0	0	113.7	Q14 Y20 L21 L93 L103 A104 D106 W110	W12-Q14 HydrophobicContact CZ3-CB 4.08Å; W12-Q14 HydrophobicContact CZ3-CG 4.11Å; W12-Y20 CarbonylContact C-O 3.57Å; W12-Y20 WeakPolarHBondContact CA-O 3.27Å; W12-L21 HydrophobicContact CB-CD2 3.59Å; W12-L93 HydrophobicContact CB-CD2 3.84Å; W12-L93 HydrophobicContact CD2-CB 3.92Å; W12-L93 HydrophobicContact CD2-CD1 4.33Å; W12-L93 HydrophobicContact CD2-CD2 3.78Å; W12-L93 HydrophobicContact CD2-CG 4.23Å; W12-L93 HydrophobicContact CE3-CB 3.95Å; W12-L93 HydrophobicContact CE3-CD1 3.82Å; W12-L93 HydrophobicContact CE3-CD2 4.14Å; W12-L93 HydrophobicContact CE3-CG 4.19Å; W12-L93 HydrophobicContact CG-CD2 3.63Å; W12-L93 HydrophobicContact CH2-CB 4.03Å; W12-L93 HydrophobicContact CZ2-CB 4.01Å; W12-L93 HydrophobicContact CZ3-CB 4Å; W12-L93 HydrophobicContact CZ3-CD1 4.2Å; W12-L103 HydrophobicContact CB-CD1 4.21Å; W12-L103 HydrophobicContact CG-CD1 4.2Å; W12-A104 PolarHBondContact N-O 2.92Å; W12-D106 PolarHBondContact O-N 3.37Å; W12-W110 HydrophobicContact CD2-CZ3 4.46Å; W12-W110 HydrophobicContact CH2-CH2 4.12Å; W12-W110 HydrophobicContact CH2-CZ3 4.28Å; W12-W110 AromaticContact CZ2-CH2 3.92Å; W12-W110 HydrophobicContact CZ2-CH2 3.92Å; W12-W110 HydrophobicContact CZ2-CZ3 4Å
13	A	93.8	Very high	88.5	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	163.7	168.5	0	0	0	0	0	109.3	Y20 D106 R109	A13-Y20 PolarHBondContact N-O 3.03Å; A13-Y20 PolarHBondContact O-N 3.22Å; A13-D106 HydrophobicContact CB-CB 4.16Å; A13-R109 HydrophobicContact CB-CB 3.75Å
14	Q	93	Very high	90.2	Very high	9 Å²	9	46.1 Å²	46.1	4%	0.042	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	162	179	67.7	174.9	-32.7	0	0	113.1	W12 L19 W89 W90	W12-Q14 HydrophobicContact CZ3-CB 4.08Å; W12-Q14 HydrophobicContact CZ3-CG 4.11Å; Q14-L19 HydrophobicContact CB-CD2 3.7Å; Q14-W89 HydrophobicContact CG-CE3 4.25Å; Q14-W89 HydrophobicContact CG-CH2 3.73Å; Q14-W89 HydrophobicContact CG-CZ2 4.02Å; Q14-W89 HydrophobicContact CG-CZ3 3.85Å; Q14-W89 VanDerWaalsContact NE2-CE2 3.32Å; Q14-W90 PolarHBondContact NE2-O 3.3Å
15	R	91.7	Very high	91.1	Very high	43 Å²	43	38.8 Å²	38.8	16%	0.162	18%	0.18	C	C	.	.			trans	-130.2	179.1	161.5	-63.9	-67.1	-175.6	-85.4	0.5	108.1	R17 E18 Y20 K84 R109 E119	R15-R17 PolarHBondContact O-N 3.23Å; R15-E18 PolarHBondContact N-O 3.15Å; R15-Y20 HydrophobicContact CG-CE2 3.78Å; R15-K84 PolarHBondContact O-NZ 2.77Å; R15-R109 PolarHBondContact NH1-O 3.19Å; R15-R109 PolarHBondContact NH2-O 3.02Å; R15-E119 IonicContact NE-OE2 3.93Å; R15-E119 PolarHBondContact NE-OE2 3.29Å
16	H	88.4	Confident	91.6	Very high	18 Å²	18	35.6 Å²	35.6	8%	0.083	16%	0.162	C	C	.	.	S	Bend	trans	-56.3	-36	177.1	-72.4	88.6	0	0	0	113.6	S87 Q88 A116 E117 L120	H16-S87 CarbonylContact O-C 3.47Å; H16-S87 VanDerWaalsContact O-CA 3.26Å; H16-S87 WeakPolarHBondContact O-CA 3.3Å; H16-Q88 PolarHBondContact O-N 3.06Å; H16-A116 VanDerWaalsContact CE1-C 3.5Å; H16-A116 PolarHBondContact ND1-O 3.43Å; H16-E117 WeakPolarHBondContact CE1-CG 3.26Å; H16-E117 PolarHBondContact CE1-N 3.37Å; H16-E117 VanDerWaalsContact CE1-N 3.32Å; H16-E117 WeakPolarHBondContact NE2-CG 3.33Å; H16-L120 HydrophobicContact CB-CD2 4.31Å
17	R	89.6	Confident	91.5	Very high	134 Å²	134	40.3 Å²	40.3	51%	0.506	19%	0.188	S	C	.	.	S	Bend	trans	-112.9	-17.2	-176.4	-65	-174.8	-177.5	170.3	7.8	115	R15 K84 S87 E124	R15-R17 PolarHBondContact O-N 3.23Å; R17-K84 PolarHBondContact O-N 2.8Å; R17-S87 WeakPolarHBondContact CG-OG 3.15Å; R17-E124 IonicContact NH2-OE1 2.81Å
18	E	92.4	Very high	91.4	Very high	65 Å²	65	38 Å²	38	30%	0.304	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	147.9	-167.3	-63.2	-178.3	172.5	0	0	111.1	R15 Y20 V82	R15-E18 PolarHBondContact N-O 3.15Å; E18-Y20 HydrophobicContact CB-CE1 4.44Å; E18-Y20 PolarHBondContact OE2-OH 3.22Å; E18-V82 WeakPolarHBondContact CA-O 3.42Å
19	L	92.6	Very high	90.9	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	136.4	169.8	-61.4	169.2	0	0	0	108.1	Q14 F61 V65 T81 V82 K84 W90 L93	Q14-L19 HydrophobicContact CB-CD2 3.7Å; L19-F61 HydrophobicContact CD1-CD1 4.06Å; L19-F61 HydrophobicContact CD1-CE1 4.08Å; L19-V65 HydrophobicContact CD1-CG1 4.16Å; L19-T81 WeakPolarHBondContact O-CA 3.34Å; L19-V82 HydrophobicContact CB-CB 4.24Å; L19-V82 PolarHBondContact N-O 3.45Å; L19-V82 PolarHBondContact O-N 3Å; L19-K84 HydrophobicContact CD1-CG 4.38Å; L19-K84 HydrophobicContact CG-CG 4.15Å; L19-W90 HydrophobicContact CD1-CE3 4.08Å; L19-W90 HydrophobicContact CD1-CH2 3.63Å; L19-W90 HydrophobicContact CD1-CZ2 4.47Å; L19-W90 HydrophobicContact CD1-CZ3 3.4Å; L19-W90 VanDerWaalsContact CD1-CZ3 3.4Å; L19-W90 HydrophobicContact CD2-CE3 4.06Å; L19-W90 HydrophobicContact CD2-CZ3 4.24Å; L19-W90 HydrophobicContact CG-CZ3 4.4Å; L19-L93 HydrophobicContact CD1-CD1 4.09Å; L19-L93 HydrophobicContact CD2-CD1 3.96Å
20	Y	93.8	Very high	90.4	Very high	40 Å²	40	46 Å²	46	16%	0.157	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.6	175.3	-57	-65.9	0	0	0	108.8	W12 A13 R15 E18 T81	W12-Y20 CarbonylContact C-O 3.57Å; W12-Y20 WeakPolarHBondContact CA-O 3.27Å; A13-Y20 PolarHBondContact N-O 3.03Å; A13-Y20 PolarHBondContact O-N 3.22Å; R15-Y20 HydrophobicContact CG-CE2 3.78Å; E18-Y20 HydrophobicContact CB-CE1 4.44Å; E18-Y20 PolarHBondContact OE2-OH 3.22Å; Y20-T81 HydrophobicContact CD1-CG2 4.13Å; Y20-T81 HydrophobicContact CE1-CG2 3.89Å
21	L	93.9	Very high	90.1	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.016	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	127.2	172.8	-56.3	171.1	0	0	0	108.2	V10 Y11 W12 L40 L59 F61 N79 I80 L93	V10-L21 HydrophobicContact CG1-CB 4.37Å; V10-L21 HydrophobicContact CG1-CD2 4.43Å; Y11-L21 CarbonylContact O-C 3.46Å; Y11-L21 WeakPolarHBondContact O-CA 3.22Å; W12-L21 HydrophobicContact CB-CD2 3.59Å; L21-L40 HydrophobicContact CD1-CD2 3.29Å; L21-L59 HydrophobicContact CD1-CD2 4.07Å; L21-L59 HydrophobicContact CD2-CD2 4.18Å; L21-F61 HydrophobicContact CD1-CE1 4.38Å; L21-F61 HydrophobicContact CD1-CZ 4.32Å; L21-N79 CarbonylContact O-C 3.14Å; L21-N79 WeakPolarHBondContact O-CA 3.29Å; L21-I80 HydrophobicContact CB-CB 4.2Å; L21-I80 PolarHBondContact N-O 3.44Å; L21-I80 PolarHBondContact O-N 3.15Å; L21-L93 HydrophobicContact CD2-CD2 3.94Å
22	R	93.8	Very high	89.8	Confident	39 Å²	39	47.2 Å²	47.2	15%	0.147	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	107.3	177.2	177.3	179.8	76.8	-170.3	15.3	108.3	V10 Y11 Q77 D106 D108	V10-R22 CarbonylContact C-O 3.58Å; V10-R22 WeakPolarHBondContact CA-O 3.21Å; Y11-R22 PolarHBondContact N-O 3.25Å; Y11-R22 PolarHBondContact O-N 2.94Å; R22-Q77 HydrophobicContact CG-CB 4.34Å; R22-D106 IonicContact CZ-OD1 2.69Å; R22-D106 IonicContact CZ-OD2 3.44Å; R22-D106 IonicContact NE-OD1 2.84Å; R22-D106 IonicContact NE-OD2 3.77Å; R22-D106 IonicContact NH1-OD1 3.58Å; R22-D106 PolarHBondContact NH1-OD1 3.14Å; R22-D106 IonicContact NH1-OD2 2.72Å; R22-D106 IonicContact NH2-OD1 3.94Å; R22-D106 PolarHBondContact NH2-OD1 3.13Å; R22-D108 IonicContact CZ-OD2 2.67Å; R22-D108 IonicContact NH1-OD2 2.82Å; R22-D108 PolarHBondContact NH1-OD2 3.46Å; R22-D108 IonicContact NH2-OD2 3.17Å; R22-D108 PolarHBondContact NH2-OD2 3.32Å
23	V	93.3	Very high	89.6	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	121.8	177.7	-171.2	0	0	0	0	108.7	P8 V10 L25 F42 F57 Q77 V78 I80	P8-V23 HydrophobicContact CB-CG1 3.77Å; P8-V23 HydrophobicContact CG-CG1 3.63Å; V10-V23 HydrophobicContact CG1-CG2 4.35Å; V10-V23 HydrophobicContact CG2-CG1 4.28Å; V10-V23 HydrophobicContact CG2-CG2 4.2Å; V23-L25 HydrophobicContact CG1-CD1 3.74Å; V23-L25 HydrophobicContact CG1-CG 3.97Å; V23-L25 PolarHBondContact O-N 3.42Å; V23-L25 VanDerWaalsContact O-N 3.12Å; V23-F42 HydrophobicContact CG1-CE1 4.15Å; V23-F42 HydrophobicContact CG1-CZ 4.09Å; V23-F42 HydrophobicContact CG2-CE2 4.37Å; V23-F57 HydrophobicContact CG1-CE1 4.29Å; V23-F57 HydrophobicContact CG2-CE1 3.91Å; V23-F57 HydrophobicContact CG2-CZ 4.08Å; V23-Q77 CarbonylContact O-C 3.45Å; V23-Q77 VanDerWaalsContact O-CA 3.27Å; V23-Q77 WeakPolarHBondContact O-CA 3.33Å; V23-Q77 WeakPolarHBondContact O-CB 3.39Å; V23-V78 HydrophobicContact CB-CB 4.16Å; V23-V78 PolarHBondContact N-O 3.48Å; V23-V78 PolarHBondContact O-N 2.95Å; V23-I80 HydrophobicContact CG2-CD1 4.05Å
24	E	91.1	Very high	89.4	Confident	95 Å²	95	50.2 Å²	50.2	44%	0.444	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	84.5	-179.7	-169	171.3	-169.4	0	0	110.2	H9 Y11	H9-E24 HydrophobicContact CB-CB 4.28Å; H9-E24 PolarHBondContact O-N 3.47Å; Y11-E24 HydrophobicContact CE2-CB 4.16Å; Y11-E24 VanDerWaalsContact CE2-OE2 3.29Å; Y11-E24 WeakPolarHBondContact CE2-OE2 3.45Å; Y11-E24 PolarHBondContact OH-OE2 2.94Å
25	L	90	Very high	89.2	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.259	C	S	.	.			trans	-139.8	126.6	176.5	-74.4	173.1	0	0	0	109.4	P8 V23 V28 F42 Y55 R76 Q77	P8-L25 HydrophobicContact CB-CD1 3.86Å; P8-L25 HydrophobicContact CB-CD2 3.95Å; P8-L25 HydrophobicContact CB-CG 3.76Å; P8-L25 HydrophobicContact CG-CD1 4.14Å; V23-L25 HydrophobicContact CG1-CD1 3.74Å; V23-L25 HydrophobicContact CG1-CG 3.97Å; V23-L25 PolarHBondContact O-N 3.42Å; V23-L25 VanDerWaalsContact O-N 3.12Å; L25-V28 HydrophobicContact CB-CG2 3.62Å; L25-V28 WeakPolarHBondContact O-CG2 3.46Å; L25-F42 HydrophobicContact CD1-CE1 3.66Å; L25-F42 HydrophobicContact CD1-CZ 3.83Å; L25-Y55 HydrophobicContact CD1-CG 4.32Å; L25-Y55 HydrophobicContact CD2-CD1 4.2Å; L25-Y55 HydrophobicContact CD2-CD2 3.38Å; L25-Y55 HydrophobicContact CD2-CE1 4.48Å; L25-Y55 HydrophobicContact CD2-CE2 3.72Å; L25-Y55 HydrophobicContact CD2-CG 3.65Å; L25-R76 CarbonylContact C-O 3.55Å; L25-R76 CarbonylContact O-C 3.51Å; L25-R76 VanDerWaalsContact O-O 3.1Å; L25-Q77 WeakPolarHBondContact O-CA 3.42Å; L25-Q77 PolarHBondContact O-N 3.18Å
26	S	87.8	Confident	89	Confident	35 Å²	35	52.1 Å²	52.1	25%	0.245	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	153.9	176.9	-58.6	0	0	0	0	111.3	V28 H47 Q75	S26-V28 VanDerWaalsContact C-N 3.31Å; S26-V28 PolarHBondContact O-N 3.38Å; S26-H47 PolarHBondContact N-O 2.89Å; S26-H47 PolarHBondContact O-N 2.89Å; S26-Q75 VanDerWaalsContact CA-O 3.28Å; S26-Q75 WeakPolarHBondContact CA-O 3.34Å; S26-Q75 WeakPolarHBondContact CB-O 3.39Å
27	D	84.5	Confident	88.6	Confident	115 Å²	115	60.1 Å²	60.1	62%	0.615	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	50	46.3	175.5	-60.7	-39	0	0	0	114.3	Q29 Q75	D27-Q29 PolarHBondContact O-N 2.79Å; D27-Q75 PolarHBondContact N-O 3.33Å; D27-Q75 VanDerWaalsContact N-O 3.11Å
28	V	86.2	Confident	88.5	Confident	25 Å²	25	55.1 Å²	55.1	15%	0.152	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	127	-173.4	-177	0	0	0	0	112.1	L25 S26 P31 A44 Q45 L73 V78	L25-V28 HydrophobicContact CB-CG2 3.62Å; L25-V28 WeakPolarHBondContact O-CG2 3.46Å; S26-V28 VanDerWaalsContact C-N 3.31Å; S26-V28 PolarHBondContact O-N 3.38Å; V28-P31 HydrophobicContact CG1-CB 4.19Å; V28-A44 HydrophobicContact CG1-CB 3.57Å; V28-Q45 CarbonylContact C-O 3.59Å; V28-Q45 WeakPolarHBondContact CA-O 3.5Å; V28-L73 HydrophobicContact CG1-CD2 4.46Å; V28-V78 HydrophobicContact CB-CG2 4.28Å; V28-V78 HydrophobicContact CG1-CG2 4.28Å; V28-V78 HydrophobicContact CG2-CG2 3.71Å
29	Q	80.8	Confident	88.4	Confident	120 Å²	120	53.4 Å²	53.4	56%	0.561	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.5	137.9	174.1	-58.4	-166.8	11.7	0	0	111	D27 Q45	D27-Q29 PolarHBondContact O-N 2.79Å; Q29-Q45 PolarHBondContact N-O 3.46Å; Q29-Q45 PolarHBondContact O-N 3.18Å
30	N	80.3	Confident	88.4	Confident	146 Å²	146	53.4 Å²	53.4	78%	0.781	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	46.9	61.2	175	-59.6	-29.9	0	0	0	114.8	A32	N30-A32 PolarHBondContact O-N 2.85Å
31	P	86.2	Confident	88.3	Confident	27 Å²	27	54.3 Å²	54.3	18%	0.175	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	116.6	177.8	29.9	-34.2	0	0	0	111.1	V28 I33 A44 Y71 L73	V28-P31 HydrophobicContact CG1-CB 4.19Å; P31-I33 HydrophobicContact CB-CD1 4.3Å; P31-I33 HydrophobicContact CB-CG1 4.26Å; P31-A44 HydrophobicContact CB-CB 4.15Å; P31-Y71 HydrophobicContact CG-CE2 4.2Å; P31-L73 HydrophobicContact CB-CD2 4.47Å; P31-L73 HydrophobicContact CG-CD1 3.94Å; P31-L73 HydrophobicContact CG-CD2 4Å
32	A	88.7	Confident	88.3	Confident	56 Å²	56	54.2 Å²	54.2	46%	0.463	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	105.9	168.6	0	0	0	0	0	108.8	N30 K43	N30-A32 PolarHBondContact O-N 2.85Å; A32-K43 HydrophobicContact CB-CB 4.37Å; A32-K43 PolarHBondContact N-O 3.47Å; A32-K43 PolarHBondContact O-N 2.88Å
33	I	90.6	Very high	88.2	Confident	26 Å²	26	56.8 Å²	56.8	13%	0.133	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	116.4	-179.3	-49.3	-179	0	0	0	108.1	P31 L40 H41 F42 P69 Y71 V78 I80	P31-I33 HydrophobicContact CB-CD1 4.3Å; P31-I33 HydrophobicContact CB-CG1 4.26Å; I33-L40 HydrophobicContact CG2-CD1 3.78Å; I33-H41 WeakPolarHBondContact CA-O 3.26Å; I33-F42 HydrophobicContact CD1-CD2 3.9Å; I33-F42 HydrophobicContact CD1-CE2 3.9Å; I33-F42 HydrophobicContact CG1-CD2 3.74Å; I33-F42 HydrophobicContact CG1-CE2 4.07Å; I33-P69 HydrophobicContact CG2-CG 4.19Å; I33-Y71 HydrophobicContact CD1-CD1 4.11Å; I33-Y71 HydrophobicContact CD1-CD2 4.16Å; I33-Y71 HydrophobicContact CD1-CG 3.8Å; I33-V78 HydrophobicContact CD1-CG1 4.2Å; I33-I80 HydrophobicContact CD1-CD1 3.94Å; I33-I80 HydrophobicContact CD1-CG1 4.11Å; I33-I80 HydrophobicContact CG2-CD1 4.26Å
34	S	89.3	Confident	88.1	Confident	57 Å²	57	56.9 Å²	56.9	40%	0.399	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	146.8	178.2	59.2	0	0	0	0	111	H41	S34-H41 PolarHBondContact N-O 3.48Å; S34-H41 PolarHBondContact O-N 2.91Å
35	I	89.3	Confident	88	Confident	19 Å²	19	56.6 Å²	56.6	10%	0.097	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	114.3	173	-61.9	174.5	0	0	0	108	V39 L40 F61 V65 P69 V82	I35-V39 WeakPolarHBondContact CA-O 3.24Å; I35-L40 HydrophobicContact CD1-CD1 4.26Å; I35-L40 HydrophobicContact CG1-CB 4.43Å; I35-L40 HydrophobicContact CG1-CD1 3.62Å; I35-F61 HydrophobicContact CD1-CE2 4.35Å; I35-V65 HydrophobicContact CD1-CG2 4.12Å; I35-V65 HydrophobicContact CG2-CG2 3.87Å; I35-P69 HydrophobicContact CD1-CB 3.91Å; I35-P69 HydrophobicContact CD1-CG 4.07Å; I35-P69 HydrophobicContact CG1-CB 4.44Å; I35-P69 HydrophobicContact CG1-CG 4.15Å; I35-V82 HydrophobicContact CD1-CG1 3.85Å; I35-V82 HydrophobicContact CD1-CG2 4.08Å
36	T	85.8	Confident	87.9	Confident	74 Å²	74	56.6 Å²	56.6	45%	0.454	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	127.3	178.1	-50.2	0	0	0	0	108	N38 V39	T36-N38 PolarHBondContact O-N 3.31Å; T36-N38 VanDerWaalsContact O-N 3.1Å; T36-V39 PolarHBondContact N-O 2.98Å; T36-V39 WeakPolarHBondContact O-CA 3.36Å; T36-V39 WeakPolarHBondContact O-CB 3.33Å; T36-V39 PolarHBondContact O-N 2.9Å
37	E	81.4	Confident	87.9	Confident	185 Å²	185	59.8 Å²	59.8	86%	0.864	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	39.8	175.6	-62.7	179.9	-179.4	0	0	114.6	V39	E37-V39 PolarHBondContact O-N 3.33Å
38	N	87.6	Confident	88	Confident	29 Å²	29	55 Å²	55	16%	0.155	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	12.9	-177.5	-149.1	43.6	0	0	0	115.5	T36 F61 D63 L64 V65	T36-N38 PolarHBondContact O-N 3.31Å; T36-N38 VanDerWaalsContact O-N 3.1Å; N38-F61 PolarHBondContact ND2-O 2.85Å; N38-F61 WeakPolarHBondContact O-CD2 3.33Å; N38-F61 PolarHBondContact O-N 3.47Å; N38-F61 VanDerWaalsContact O-N 3.07Å; N38-D63 VanDerWaalsContact ND2-C 3.33Å; N38-D63 PolarHBondContact ND2-O 3.48Å; N38-D63 PolarHBondContact OD1-O 3.35Å; N38-D63 VanDerWaalsContact OD1-O 3.07Å; N38-L64 WeakPolarHBondContact OD1-CA 3.43Å; N38-V65 WeakPolarHBondContact OD1-CG2 3.47Å; N38-V65 PolarHBondContact OD1-N 3.44Å
39	V	90.1	Very high	87.8	Confident	30 Å²	30	58 Å²	58	18%	0.182	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	123.2	173.7	-174.8	0	0	0	0	109.1	I35 T36 E37 H41 H58 L59 E60	I35-V39 WeakPolarHBondContact CA-O 3.24Å; T36-V39 PolarHBondContact N-O 2.98Å; T36-V39 WeakPolarHBondContact O-CA 3.36Å; T36-V39 WeakPolarHBondContact O-CB 3.33Å; T36-V39 PolarHBondContact O-N 2.9Å; E37-V39 PolarHBondContact O-N 3.33Å; V39-H41 PolarHBondContact O-CD2 3.12Å; V39-H41 VanDerWaalsContact O-CD2 3.32Å; V39-H58 HydrophobicContact CG1-CB 4.18Å; V39-L59 WeakPolarHBondContact CA-O 3.46Å; V39-E60 HydrophobicContact CG2-CB 4.11Å; V39-E60 HydrophobicContact CG2-CG 4.11Å
40	L	91.8	Very high	88	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	118.8	169.9	177.8	69.7	0	0	0	109.1	L21 I33 I35 F57 H58 L59 F61 I80	L21-L40 HydrophobicContact CD1-CD2 3.29Å; I33-L40 HydrophobicContact CG2-CD1 3.78Å; I35-L40 HydrophobicContact CD1-CD1 4.26Å; I35-L40 HydrophobicContact CG1-CB 4.43Å; I35-L40 HydrophobicContact CG1-CD1 3.62Å; L40-F57 HydrophobicContact CD2-CE2 4.15Å; L40-F57 HydrophobicContact CD2-CZ 4.4Å; L40-H58 WeakPolarHBondContact O-CA 3.35Å; L40-L59 HydrophobicContact CB-CB 4.31Å; L40-L59 PolarHBondContact N-O 3.06Å; L40-L59 PolarHBondContact O-N 3.22Å; L40-F61 HydrophobicContact CB-CE2 3.75Å; L40-F61 HydrophobicContact CB-CZ 3.78Å; L40-F61 HydrophobicContact CD2-CZ 4.16Å; L40-I80 HydrophobicContact CD2-CD1 4.49Å
41	H	92.1	Very high	88.2	Confident	59 Å²	59	52.4 Å²	52.4	27%	0.273	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	121.5	170.5	-58.5	-90.1	0	0	0	108.7	I33 S34 V39 H58	I33-H41 WeakPolarHBondContact CA-O 3.26Å; S34-H41 PolarHBondContact N-O 3.48Å; S34-H41 PolarHBondContact O-N 2.91Å; V39-H41 PolarHBondContact O-CD2 3.12Å; V39-H41 VanDerWaalsContact O-CD2 3.32Å; H41-H58 AromaticContact CE1-ND1 3.91Å; H41-H58 AromaticContact CG-ND1 3.84Å; H41-H58 AromaticContact ND1-CE1 3.51Å; H41-H58 AromaticContact ND1-CG 3.94Å; H41-H58 AromaticContact ND1-ND1 3.03Å; H41-H58 PolarHBondContact ND1-ND1 3.15Å
42	F	93.6	Very high	88.2	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.009	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.8	175	176.9	-85.5	0	0	0	109.3	P8 V23 L25 I33 A44 E56 F57 V78 I80	P8-F42 HydrophobicContact CG-CE1 4.5Å; V23-F42 HydrophobicContact CG1-CE1 4.15Å; V23-F42 HydrophobicContact CG1-CZ 4.09Å; V23-F42 HydrophobicContact CG2-CE2 4.37Å; L25-F42 HydrophobicContact CD1-CE1 3.66Å; L25-F42 HydrophobicContact CD1-CZ 3.83Å; I33-F42 HydrophobicContact CD1-CD2 3.9Å; I33-F42 HydrophobicContact CD1-CE2 3.9Å; I33-F42 HydrophobicContact CG1-CD2 3.74Å; I33-F42 HydrophobicContact CG1-CE2 4.07Å; F42-A44 HydrophobicContact CE1-CB 3.85Å; F42-A44 HydrophobicContact CE2-CB 4.43Å; F42-A44 HydrophobicContact CZ-CB 3.62Å; F42-E56 WeakPolarHBondContact O-CA 3.39Å; F42-F57 HydrophobicContact CB-CD1 3.73Å; F42-F57 HydrophobicContact CB-CD2 4.35Å; F42-F57 HydrophobicContact CB-CE1 3.34Å; F42-F57 HydrophobicContact CB-CE2 4Å; F42-F57 HydrophobicContact CB-CG 4.22Å; F42-F57 HydrophobicContact CB-CZ 3.49Å; F42-F57 VanDerWaalsContact CB-CZ 3.49Å; F42-F57 AromaticContact CD1-CD1 3.55Å; F42-F57 HydrophobicContact CD1-CD1 3.55Å; F42-F57 AromaticContact CD1-CE1 3.32Å; F42-F57 HydrophobicContact CD1-CE1 3.32Å; F42-F57 HydrophobicContact CD1-CZ 4.29Å; F42-F57 HydrophobicContact CD2-CE1 4.11Å; F42-F57 HydrophobicContact CD2-CZ 4.42Å; F42-F57 HydrophobicContact CE1-CD1 4.47Å; F42-F57 HydrophobicContact CE1-CE1 4.15Å; F42-F57 AromaticContact CG-CD1 3.87Å; F42-F57 HydrophobicContact CG-CD1 3.87Å; F42-F57 AromaticContact CG-CE1 3.3Å; F42-F57 HydrophobicContact CG-CE1 3.3Å; F42-F57 AromaticContact CG-CZ 3.83Å; F42-F57 HydrophobicContact CG-CZ 3.83Å; F42-F57 PolarHBondContact N-O 3.09Å; F42-F57 PolarHBondContact O-N 3.44Å; F42-V78 HydrophobicContact CE2-CG1 4.28Å; F42-V78 HydrophobicContact CZ-CG2 4.48Å; F42-I80 HydrophobicContact CD2-CD1 3.86Å; F42-I80 HydrophobicContact CE2-CD1 4.28Å
43	K	91.4	Very high	88.1	Confident	93 Å²	93	56.3 Å²	56.3	40%	0.404	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	124.9	172.1	-177.1	174.1	-168	139.9	0	109.8	A32 V54 Y55 E56	A32-K43 HydrophobicContact CB-CB 4.37Å; A32-K43 PolarHBondContact N-O 3.47Å; A32-K43 PolarHBondContact O-N 2.88Å; K43-V54 HydrophobicContact CG-CG1 4.12Å; K43-Y55 WeakPolarHBondContact CA-O 3.46Å; K43-E56 HydrophobicContact CB-CG 4.34Å; K43-E56 WeakPolarHBondContact CE-OE2 3.34Å; K43-E56 HydrophobicContact CG-CB 4.43Å; K43-E56 HydrophobicContact CG-CG 4.48Å; K43-E56 IonicContact NZ-OE2 3.99Å; K43-E56 PolarHBondContact NZ-OE2 2.81Å
44	A	90.7	Very high	88.1	Confident	2 Å²	2	58.6 Å²	58.6	2%	0.017	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	152.1	177.2	0	0	0	0	0	111.3	V28 P31 F42 Y55	V28-A44 HydrophobicContact CG1-CB 3.57Å; P31-A44 HydrophobicContact CB-CB 4.15Å; F42-A44 HydrophobicContact CE1-CB 3.85Å; F42-A44 HydrophobicContact CE2-CB 4.43Å; F42-A44 HydrophobicContact CZ-CB 3.62Å; A44-Y55 PolarHBondContact N-O 3.38Å; A44-Y55 PolarHBondContact O-N 3.11Å
45	Q	89.2	Confident	88.1	Confident	88 Å²	88	56 Å²	56	41%	0.411	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	135.2	168.7	-175.8	174.5	-9.2	0	0	108.9	V28 Q29 V54	V28-Q45 CarbonylContact C-O 3.59Å; V28-Q45 WeakPolarHBondContact CA-O 3.5Å; Q29-Q45 PolarHBondContact N-O 3.46Å; Q29-Q45 PolarHBondContact O-N 3.18Å; Q45-V54 HydrophobicContact CB-CG2 4.44Å
46	G	88.8	Confident	88.2	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.1	-178.7	176.3	0	0	0	0	0	112.6	D52 N53 Y55	G46-D52 WeakPolarHBondContact O-CA 3.35Å; G46-N53 PolarHBondContact N-O 2.94Å; G46-N53 VanDerWaalsContact N-O 3.14Å; G46-N53 PolarHBondContact O-N 2.86Å; G46-N53 VanDerWaalsContact O-N 3.15Å; G46-N53 VanDerWaalsContact O-O 3.14Å; G46-Y55 WeakPolarHBondContact O-CE2 3.41Å
47	H	88	Confident	88.5	Confident	101 Å²	101	54.2 Å²	54.2	47%	0.468	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	115.5	-179.4	-164.4	87.4	0	0	0	111	S26	S26-H47 PolarHBondContact N-O 2.89Å; S26-H47 PolarHBondContact O-N 2.89Å
48	G	86.9	Confident	89	Confident	14 Å²	14	50 Å²	50	14%	0.144	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	-162.8	177	0	0	0	0	0	112.6	K50 G51 Y55	G48-K50 PolarHBondContact O-N 3.19Å; G48-G51 PolarHBondContact N-O 2.85Å; G48-G51 PolarHBondContact O-N 3.3Å; G48-Y55 WeakPolarHBondContact CA-OH 3.46Å
49	A	82.3	Confident	89.2	Confident	88 Å²	88	48.7 Å²	48.7	73%	0.727	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-15.3	-177.4	0	0	0	0	0	115
50	K	83.3	Confident	89.3	Confident	127 Å²	127	50.4 Å²	50.4	55%	0.552	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.2	20.2	179	-68.5	178.8	172.2	-173.4	0	112.3	L6 G48 N53 Y55	L6-K50 HydrophobicContact CD1-CB 4.13Å; L6-K50 HydrophobicContact CD1-CD 4.19Å; L6-K50 HydrophobicContact CD2-CD 3.53Å; L6-K50 HydrophobicContact CG-CD 4.4Å; G48-K50 PolarHBondContact O-N 3.19Å; K50-N53 PolarHBondContact O-ND2 3.36Å; K50-Y55 PolarHBondContact N-OH 2.87Å
51	G	85.1	Confident	89.3	Confident	22 Å²	22	50.5 Å²	50.5	23%	0.227	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	86.5	-160.7	-178.6	0	0	0	0	0	113.2	G48 N53 Y55	G48-G51 PolarHBondContact N-O 2.85Å; G48-G51 PolarHBondContact O-N 3.3Å; G51-N53 PolarHBondContact O-N 2.92Å; G51-Y55 PolarHBondContact O-OH 3.45Å
52	D	86.4	Confident	89.3	Confident	99 Å²	99	50.4 Å²	50.4	53%	0.529	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	107.8	178.9	-173.8	12.5	0	0	0	110.6	G46	G46-D52 WeakPolarHBondContact O-CA 3.35Å
53	N	87.6	Confident	89.1	Confident	66 Å²	66	53.1 Å²	53.1	35%	0.353	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	171.8	-179.1	-73.3	-69.7	0	0	0	110.8	L6 G46 K50 G51 Y55	L6-N53 HydrophobicContact CD1-CB 3.54Å; L6-N53 WeakPolarHBondContact CD1-ND2 3.38Å; G46-N53 PolarHBondContact N-O 2.94Å; G46-N53 VanDerWaalsContact N-O 3.14Å; G46-N53 PolarHBondContact O-N 2.86Å; G46-N53 VanDerWaalsContact O-N 3.15Å; G46-N53 VanDerWaalsContact O-O 3.14Å; K50-N53 PolarHBondContact O-ND2 3.36Å; G51-N53 PolarHBondContact O-N 2.92Å; N53-Y55 HydrophobicContact CB-CE2 4.07Å; N53-Y55 VanDerWaalsContact O-CD2 3.29Å; N53-Y55 WeakPolarHBondContact O-CD2 3.49Å
54	V	88.6	Confident	89	Confident	75 Å²	75	52.9 Å²	52.9	46%	0.455	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	118.8	167	-177.7	0	0	0	0	108.9	K43 Q45	K43-V54 HydrophobicContact CG-CG1 4.12Å; Q45-V54 HydrophobicContact CB-CG2 4.44Å
55	Y	90	Very high	89	Confident	3 Å²	3	53.5 Å²	53.5	1%	0.012	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	132.2	177.9	-74.1	-86.6	0	0	0	110.4	L6 P8 L25 K43 A44 G46 G48 K50 G51 N53	L6-Y55 HydrophobicContact CB-CD1 3.82Å; L6-Y55 HydrophobicContact CB-CE1 3.82Å; L6-Y55 VanDerWaalsContact O-CA 3.3Å; L6-Y55 WeakPolarHBondContact O-CA 3.02Å; P8-Y55 HydrophobicContact CB-CD1 4.01Å; P8-Y55 HydrophobicContact CB-CG 4.34Å; L25-Y55 HydrophobicContact CD1-CG 4.32Å; L25-Y55 HydrophobicContact CD2-CD1 4.2Å; L25-Y55 HydrophobicContact CD2-CD2 3.38Å; L25-Y55 HydrophobicContact CD2-CE1 4.48Å; L25-Y55 HydrophobicContact CD2-CE2 3.72Å; L25-Y55 HydrophobicContact CD2-CG 3.65Å; K43-Y55 WeakPolarHBondContact CA-O 3.46Å; A44-Y55 PolarHBondContact N-O 3.38Å; A44-Y55 PolarHBondContact O-N 3.11Å; G46-Y55 WeakPolarHBondContact O-CE2 3.41Å; G48-Y55 WeakPolarHBondContact CA-OH 3.46Å; K50-Y55 PolarHBondContact N-OH 2.87Å; G51-Y55 PolarHBondContact O-OH 3.45Å; N53-Y55 HydrophobicContact CB-CE2 4.07Å; N53-Y55 VanDerWaalsContact O-CD2 3.29Å; N53-Y55 WeakPolarHBondContact O-CD2 3.49Å
56	E	92.4	Very high	89	Confident	50 Å²	50	53.9 Å²	53.9	23%	0.234	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	136.3	-175.8	-176.6	163.5	-177.3	0	0	110.9	V5 L6 T7 F42 K43 H58	V5-E56 HydrophobicContact CG1-CB 4.19Å; L6-E56 PolarHBondContact O-N 3.37Å; T7-E56 WeakPolarHBondContact CG2-O 3.22Å; F42-E56 WeakPolarHBondContact O-CA 3.39Å; K43-E56 HydrophobicContact CB-CG 4.34Å; K43-E56 WeakPolarHBondContact CE-OE2 3.34Å; K43-E56 HydrophobicContact CG-CB 4.43Å; K43-E56 HydrophobicContact CG-CG 4.48Å; K43-E56 IonicContact NZ-OE2 3.99Å; K43-E56 PolarHBondContact NZ-OE2 2.81Å; E56-H58 IonicContact OE1-CE1 3.44Å; E56-H58 PolarHBondContact OE1-CE1 3.42Å; E56-H58 IonicContact OE1-NE2 3.64Å
57	F	91.9	Very high	89	Confident	4 Å²	4	58.3 Å²	58.3	2%	0.018	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	156	170.2	73.8	-94.7	0	0	0	112.1	T7 P8 V10 V23 L40 F42 L59 F102	T7-F57 HydrophobicContact CG2-CB 4.49Å; P8-F57 HydrophobicContact CG-CD1 3.7Å; P8-F57 HydrophobicContact CG-CE1 4.11Å; V10-F57 HydrophobicContact CG2-CD1 4.09Å; V10-F57 HydrophobicContact CG2-CE1 3.71Å; V10-F57 HydrophobicContact CG2-CE2 4.49Å; V10-F57 HydrophobicContact CG2-CZ 3.95Å; V23-F57 HydrophobicContact CG1-CE1 4.29Å; V23-F57 HydrophobicContact CG2-CE1 3.91Å; V23-F57 HydrophobicContact CG2-CZ 4.08Å; L40-F57 HydrophobicContact CD2-CE2 4.15Å; L40-F57 HydrophobicContact CD2-CZ 4.4Å; F42-F57 HydrophobicContact CB-CD1 3.73Å; F42-F57 HydrophobicContact CB-CD2 4.35Å; F42-F57 HydrophobicContact CB-CE1 3.34Å; F42-F57 HydrophobicContact CB-CE2 4Å; F42-F57 HydrophobicContact CB-CG 4.22Å; F42-F57 HydrophobicContact CB-CZ 3.49Å; F42-F57 VanDerWaalsContact CB-CZ 3.49Å; F42-F57 AromaticContact CD1-CD1 3.55Å; F42-F57 HydrophobicContact CD1-CD1 3.55Å; F42-F57 AromaticContact CD1-CE1 3.32Å; F42-F57 HydrophobicContact CD1-CE1 3.32Å; F42-F57 HydrophobicContact CD1-CZ 4.29Å; F42-F57 HydrophobicContact CD2-CE1 4.11Å; F42-F57 HydrophobicContact CD2-CZ 4.42Å; F42-F57 HydrophobicContact CE1-CD1 4.47Å; F42-F57 HydrophobicContact CE1-CE1 4.15Å; F42-F57 AromaticContact CG-CD1 3.87Å; F42-F57 HydrophobicContact CG-CD1 3.87Å; F42-F57 AromaticContact CG-CE1 3.3Å; F42-F57 HydrophobicContact CG-CE1 3.3Å; F42-F57 AromaticContact CG-CZ 3.83Å; F42-F57 HydrophobicContact CG-CZ 3.83Å; F42-F57 PolarHBondContact N-O 3.09Å; F42-F57 PolarHBondContact O-N 3.44Å; F57-L59 HydrophobicContact CD2-CB 4.2Å; F57-L59 HydrophobicContact CE2-CB 4.13Å; F57-F102 HydrophobicContact CB-CE2 4.12Å; F57-F102 HydrophobicContact CB-CZ 4.02Å; F57-F102 AromaticContact CD2-CE2 3.95Å; F57-F102 HydrophobicContact CD2-CE2 3.95Å; F57-F102 HydrophobicContact CD2-CZ 4.2Å; F57-F102 HydrophobicContact CG-CE2 4.09Å; F57-F102 HydrophobicContact CG-CZ 4.38Å
58	H	91.8	Very high	89	Confident	97 Å²	97	61.1 Å²	61.1	45%	0.449	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	133.8	172.9	-52.2	-54	0	0	0	109.1	V39 L40 H41 E56	V39-H58 HydrophobicContact CG1-CB 4.18Å; L40-H58 WeakPolarHBondContact O-CA 3.35Å; H41-H58 AromaticContact CE1-ND1 3.91Å; H41-H58 AromaticContact CG-ND1 3.84Å; H41-H58 AromaticContact ND1-CE1 3.51Å; H41-H58 AromaticContact ND1-CG 3.94Å; H41-H58 AromaticContact ND1-ND1 3.03Å; H41-H58 PolarHBondContact ND1-ND1 3.15Å; E56-H58 IonicContact OE1-CE1 3.44Å; E56-H58 PolarHBondContact OE1-CE1 3.42Å; E56-H58 IonicContact OE1-NE2 3.64Å
59	L	91.3	Very high	89	Confident	2 Å²	2	61.7 Å²	61.7	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	107.1	-177.6	-173.5	75.8	0	0	0	109.8	L21 V39 L40 F57 F61 L93 T94 L103	L21-L59 HydrophobicContact CD1-CD2 4.07Å; L21-L59 HydrophobicContact CD2-CD2 4.18Å; V39-L59 WeakPolarHBondContact CA-O 3.46Å; L40-L59 HydrophobicContact CB-CB 4.31Å; L40-L59 PolarHBondContact N-O 3.06Å; L40-L59 PolarHBondContact O-N 3.22Å; F57-L59 HydrophobicContact CD2-CB 4.2Å; F57-L59 HydrophobicContact CE2-CB 4.13Å; L59-F61 HydrophobicContact CD2-CD1 4.44Å; L59-F61 HydrophobicContact CD2-CE1 3.83Å; L59-F61 HydrophobicContact CD2-CZ 4.4Å; L59-L93 HydrophobicContact CD1-CD2 4.49Å; L59-L93 HydrophobicContact CD2-CD2 3.81Å; L59-L93 HydrophobicContact CD2-CG 4.43Å; L59-T94 HydrophobicContact CD1-CG2 3.39Å; L59-T94 HydrophobicContact CG-CG2 4.26Å; L59-L103 HydrophobicContact CD1-CD2 4.33Å
60	E	92.4	Very high	89.4	Confident	66 Å²	66	62.1 Å²	62.1	31%	0.308	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	117.8	174.1	-174.5	-176.6	-175.4	0	0	110	V39 T94 K95	V39-E60 HydrophobicContact CG2-CB 4.11Å; V39-E60 HydrophobicContact CG2-CG 4.11Å; E60-T94 VanDerWaalsContact O-CA 3.3Å; E60-T94 WeakPolarHBondContact O-CA 3.49Å; E60-K95 HydrophobicContact CG-CB 4.29Å; E60-K95 PolarHBondContact O-N 3.12Å; E60-K95 WeakPolarHBondContact OE1-CD 3.39Å; E60-K95 IonicContact OE1-NZ 3.49Å; E60-K95 PolarHBondContact OE1-NZ 3.49Å
61	F	92.6	Very high	89.7	Confident	1 Å²	1	61.4 Å²	61.4	0%	0.004	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-74.6	154.4	-179	-64.7	-63.4	0	0	0	112.6	L19 L21 I35 N38 L40 L59 V65 V82 W90 L93	L19-F61 HydrophobicContact CD1-CD1 4.06Å; L19-F61 HydrophobicContact CD1-CE1 4.08Å; L21-F61 HydrophobicContact CD1-CE1 4.38Å; L21-F61 HydrophobicContact CD1-CZ 4.32Å; I35-F61 HydrophobicContact CD1-CE2 4.35Å; N38-F61 PolarHBondContact ND2-O 2.85Å; N38-F61 WeakPolarHBondContact O-CD2 3.33Å; N38-F61 PolarHBondContact O-N 3.47Å; N38-F61 VanDerWaalsContact O-N 3.07Å; L40-F61 HydrophobicContact CB-CE2 3.75Å; L40-F61 HydrophobicContact CB-CZ 3.78Å; L40-F61 HydrophobicContact CD2-CZ 4.16Å; L59-F61 HydrophobicContact CD2-CD1 4.44Å; L59-F61 HydrophobicContact CD2-CE1 3.83Å; L59-F61 HydrophobicContact CD2-CZ 4.4Å; F61-V65 HydrophobicContact CB-CG1 4.28Å; F61-V65 HydrophobicContact CD2-CB 4.39Å; F61-V65 HydrophobicContact CD2-CG1 3.86Å; F61-V65 HydrophobicContact CD2-CG2 3.61Å; F61-V65 HydrophobicContact CE2-CG1 4.35Å; F61-V65 HydrophobicContact CE2-CG2 3.83Å; F61-V65 HydrophobicContact CG-CG1 4.02Å; F61-V82 HydrophobicContact CE2-CG1 4.29Å; F61-V82 HydrophobicContact CZ-CG1 4.28Å; F61-V82 HydrophobicContact CZ-CG2 4.13Å; F61-W90 HydrophobicContact CB-CH2 3.88Å; F61-W90 HydrophobicContact CB-CZ3 3.95Å; F61-W90 HydrophobicContact CD1-CZ3 4.08Å; F61-W90 HydrophobicContact CG-CH2 4.4Å; F61-W90 HydrophobicContact CG-CZ3 4.36Å; F61-L93 WeakPolarHBondContact CA-O 3.48Å; F61-L93 HydrophobicContact CD1-CD1 4.13Å; F61-L93 HydrophobicContact CE1-CD1 4.26Å
62	L	90.3	Very high	90	Very high	57 Å²	57	67.3 Å²	67.3	30%	0.298	34%	0.34	S	S	.	.	S	Bend	trans	-60.6	-47.8	177.8	179.1	65.4	0	0	0	112.6	W90 R92 L93	L62-W90 HydrophobicContact CB-CD2 4.33Å; L62-W90 HydrophobicContact CB-CE3 4.03Å; L62-W90 HydrophobicContact CB-CZ3 4.25Å; L62-W90 HydrophobicContact CD2-CB 4.1Å; L62-W90 HydrophobicContact CD2-CG 4.22Å; L62-R92 WeakPolarHBondContact CB-O 3.4Å; L62-R92 HydrophobicContact CD1-CG 4Å; L62-R92 HydrophobicContact CD2-CG 4.04Å; L62-R92 VanDerWaalsContact CD2-O 3.3Å; L62-R92 WeakPolarHBondContact CD2-O 3.39Å; L62-R92 HydrophobicContact CG-CG 4.49Å; L62-L93 PolarHBondContact N-O 3.31Å
63	D	89.8	Confident	90.1	Very high	59 Å²	59	66.2 Å²	66.2	32%	0.316	33%	0.334	S	S	.	.	S	Bend	trans	-134.7	173.5	-178.5	-159.1	-4.4	0	0	0	110.5	N38 V65 Q88 W90	N38-D63 VanDerWaalsContact ND2-C 3.33Å; N38-D63 PolarHBondContact ND2-O 3.48Å; N38-D63 PolarHBondContact OD1-O 3.35Å; N38-D63 VanDerWaalsContact OD1-O 3.07Å; D63-V65 PolarHBondContact O-N 3.47Å; D63-Q88 PolarHBondContact OD2-NE2 3.32Å; D63-W90 HydrophobicContact CB-CZ2 3.8Å; D63-W90 WeakPolarHBondContact O-CH2 3.22Å
64	L	89.7	Confident	90.1	Very high	88 Å²	88	65.7 Å²	65.7	46%	0.461	33%	0.333	S	S	.	.			trans	-61	126.8	-172.2	-62	176.8	0	0	0	112.4	N38 K85	N38-L64 WeakPolarHBondContact OD1-CA 3.43Å; L64-K85 HydrophobicContact CB-CB 4.06Å; L64-K85 HydrophobicContact CB-CD 3.96Å; L64-K85 HydrophobicContact CD1-CD 4.05Å; L64-K85 WeakPolarHBondContact O-CB 3.33Å; L64-K85 PolarHBondContact O-N 2.94Å
65	V	91.6	Very high	89.8	Confident	16 Å²	16	69.9 Å²	69.9	10%	0.097	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-109.6	162.6	170.1	-57.3	0	0	0	0	111.7	L19 I35 N38 F61 D63 V82 Q83 W90	L19-V65 HydrophobicContact CD1-CG1 4.16Å; I35-V65 HydrophobicContact CD1-CG2 4.12Å; I35-V65 HydrophobicContact CG2-CG2 3.87Å; N38-V65 WeakPolarHBondContact OD1-CG2 3.47Å; N38-V65 PolarHBondContact OD1-N 3.44Å; F61-V65 HydrophobicContact CB-CG1 4.28Å; F61-V65 HydrophobicContact CD2-CB 4.39Å; F61-V65 HydrophobicContact CD2-CG1 3.86Å; F61-V65 HydrophobicContact CD2-CG2 3.61Å; F61-V65 HydrophobicContact CE2-CG1 4.35Å; F61-V65 HydrophobicContact CE2-CG2 3.83Å; F61-V65 HydrophobicContact CG-CG1 4.02Å; D63-V65 PolarHBondContact O-N 3.47Å; V65-V82 HydrophobicContact CB-CG1 3.59Å; V65-V82 HydrophobicContact CG1-CG1 3.78Å; V65-V82 HydrophobicContact CG2-CG1 3.84Å; V65-Q83 WeakPolarHBondContact CA-O 3.48Å; V65-W90 HydrophobicContact CG1-CH2 3.69Å; V65-W90 HydrophobicContact CG1-CZ2 4.31Å
66	K	89.3	Confident	89.7	Confident	96 Å²	96	79 Å²	79	42%	0.417	38%	0.382	S	S	.	.			trans	-73.4	142.2	170.1	-63.2	-173.3	-171.4	171	0	110	E68 Q83	K66-E68 PolarHBondContact O-N 3.11Å; K66-Q83 HydrophobicContact CB-CB 4.36Å; K66-Q83 HydrophobicContact CD-CB 3.99Å; K66-Q83 HydrophobicContact CG-CB 4.28Å; K66-Q83 PolarHBondContact N-O 2.81Å
67	P	87.2	Confident	89.6	Confident	93 Å²	93	79.3 Å²	79.3	60%	0.604	38%	0.384	S	S	*	.	S	Bend	trans	-74.5	-2.4	-174.3	30.4	-36	0	0	0	114.5	P69	P67-P69 WeakPolarHBondContact O-CD 3.28Å
68	E	87.7	Confident	89.6	Confident	161 Å²	161	79.1 Å²	79.1	75%	0.752	38%	0.383	S	S	*	.			trans	-102.6	88.4	-178.3	-66	176.3	179.6	0	0	110.7	K66	K66-E68 PolarHBondContact O-N 3.11Å
69	P	88.3	Confident	89.6	Confident	26 Å²	26	75.4 Å²	75.4	17%	0.169	37%	0.367	C	S	.	.			trans	-74.1	136.1	172.7	30.2	-33.6	0	0	0	110.5	I33 I35 P67 I80 V82	I33-P69 HydrophobicContact CG2-CG 4.19Å; I35-P69 HydrophobicContact CD1-CB 3.91Å; I35-P69 HydrophobicContact CD1-CG 4.07Å; I35-P69 HydrophobicContact CG1-CB 4.44Å; I35-P69 HydrophobicContact CG1-CG 4.15Å; P67-P69 WeakPolarHBondContact O-CD 3.28Å; P69-I80 HydrophobicContact CB-CG2 4.11Å; P69-V82 HydrophobicContact CB-CG2 4.4Å
70	V	90.3	Very high	89.7	Confident	97 Å²	97	75.4 Å²	75.4	59%	0.588	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	126.1	169.6	179.8	0	0	0	0	107.5	T81	V70-T81 PolarHBondContact N-O 3.48Å; V70-T81 PolarHBondContact O-N 3.47Å
71	Y	90.4	Very high	89.8	Confident	112 Å²	112	73.9 Å²	73.9	44%	0.439	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	149.3	176.8	70.5	-88.3	0	0	0	112.1	P31 I33 L73 N79	P31-Y71 HydrophobicContact CG-CE2 4.2Å; I33-Y71 HydrophobicContact CD1-CD1 4.11Å; I33-Y71 HydrophobicContact CD1-CD2 4.16Å; I33-Y71 HydrophobicContact CD1-CG 3.8Å; Y71-L73 HydrophobicContact CD2-CD2 4.26Å; Y71-L73 HydrophobicContact CD2-CG 4.1Å; Y71-L73 HydrophobicContact CE2-CD1 4.2Å; Y71-L73 HydrophobicContact CE2-CD2 4.44Å; Y71-L73 HydrophobicContact CE2-CG 4.07Å; Y71-N79 CarbonylContact C-O 3.58Å; Y71-N79 VanDerWaalsContact CA-O 3.23Å; Y71-N79 WeakPolarHBondContact CA-O 3.32Å
72	K	90.3	Very high	89.8	Confident	145 Å²	145	73.9 Å²	73.9	63%	0.63	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.2	118.4	175.9	-175.3	176.2	-178.2	177.6	0	109.2	N79	K72-N79 HydrophobicContact CB-CB 4.48Å; K72-N79 PolarHBondContact N-O 3.41Å; K72-N79 PolarHBondContact O-N 2.85Å
73	L	88.4	Confident	89.9	Confident	77 Å²	77	74.8 Å²	74.8	40%	0.403	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	138.5	174.4	-59.1	171	0	0	0	109.9	V28 P31 Y71 V78	V28-L73 HydrophobicContact CG1-CD2 4.46Å; P31-L73 HydrophobicContact CB-CD2 4.47Å; P31-L73 HydrophobicContact CG-CD1 3.94Å; P31-L73 HydrophobicContact CG-CD2 4Å; Y71-L73 HydrophobicContact CD2-CD2 4.26Å; Y71-L73 HydrophobicContact CD2-CG 4.1Å; Y71-L73 HydrophobicContact CE2-CD1 4.2Å; Y71-L73 HydrophobicContact CE2-CD2 4.44Å; Y71-L73 HydrophobicContact CE2-CG 4.07Å; L73-V78 HydrophobicContact CD2-CB 4.24Å; L73-V78 HydrophobicContact CD2-CG1 3.78Å; L73-V78 HydrophobicContact CD2-CG2 3.67Å
74	T	87.1	Confident	90	Very high	55 Å²	55	72.4 Å²	72.4	34%	0.337	35%	0.351	S	S	.	.			trans	-129	168.9	167.8	68	0	0	0	0	108.3	R76 Q77	T74-R76 PolarHBondContact O-N 3.43Å; T74-R76 VanDerWaalsContact O-N 3.13Å; T74-Q77 PolarHBondContact N-O 2.88Å; T74-Q77 WeakPolarHBondContact OG1-CG 3.47Å; T74-Q77 PolarHBondContact OG1-N 3.33Å; T74-Q77 VanDerWaalsContact OG1-N 3.08Å; T74-Q77 PolarHBondContact OG1-O 2.93Å
75	Q	84.1	Confident	90.1	Very high	162 Å²	162	74.9 Å²	74.9	76%	0.757	36%	0.358	S	S	*	.	S	Bend	trans	-59.7	-25	179.6	-71	177.6	-18.6	0	0	113.6	S26 D27	S26-Q75 VanDerWaalsContact CA-O 3.28Å; S26-Q75 WeakPolarHBondContact CA-O 3.34Å; S26-Q75 WeakPolarHBondContact CB-O 3.39Å; D27-Q75 PolarHBondContact N-O 3.33Å; D27-Q75 VanDerWaalsContact N-O 3.11Å
76	R	86.6	Confident	89.9	Confident	194 Å²	194	78.1 Å²	78.1	73%	0.732	38%	0.378	S	S	*	.	S	Bend	trans	-116.5	-16.7	-171.4	-67.4	-178.5	169.3	171.5	-4	115.1	L25 T74	L25-R76 CarbonylContact C-O 3.55Å; L25-R76 CarbonylContact O-C 3.51Å; L25-R76 VanDerWaalsContact O-O 3.1Å; T74-R76 PolarHBondContact O-N 3.43Å; T74-R76 VanDerWaalsContact O-N 3.13Å
77	Q	90.7	Very high	89.8	Confident	57 Å²	57	76.3 Å²	76.3	27%	0.266	38%	0.378	S	S	.	.			trans	-157.7	158.9	-172.9	60	-174.6	62.2	0	0	112.5	R22 V23 L25 T74 N79	R22-Q77 HydrophobicContact CG-CB 4.34Å; V23-Q77 CarbonylContact O-C 3.45Å; V23-Q77 VanDerWaalsContact O-CA 3.27Å; V23-Q77 WeakPolarHBondContact O-CA 3.33Å; V23-Q77 WeakPolarHBondContact O-CB 3.39Å; L25-Q77 WeakPolarHBondContact O-CA 3.42Å; L25-Q77 PolarHBondContact O-N 3.18Å; T74-Q77 PolarHBondContact N-O 2.88Å; T74-Q77 WeakPolarHBondContact OG1-CG 3.47Å; T74-Q77 PolarHBondContact OG1-N 3.33Å; T74-Q77 VanDerWaalsContact OG1-N 3.08Å; T74-Q77 PolarHBondContact OG1-O 2.93Å; Q77-N79 PolarHBondContact NE2-ND2 3.27Å; Q77-N79 PolarHBondContact NE2-OD1 3.38Å
78	V	91.9	Very high	89.9	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	118	170.1	-173.8	0	0	0	0	109	V23 V28 I33 F42 L73 I80	V23-V78 HydrophobicContact CB-CB 4.16Å; V23-V78 PolarHBondContact N-O 3.48Å; V23-V78 PolarHBondContact O-N 2.95Å; V28-V78 HydrophobicContact CB-CG2 4.28Å; V28-V78 HydrophobicContact CG1-CG2 4.28Å; V28-V78 HydrophobicContact CG2-CG2 3.71Å; I33-V78 HydrophobicContact CD1-CG1 4.2Å; F42-V78 HydrophobicContact CE2-CG1 4.28Å; F42-V78 HydrophobicContact CZ-CG2 4.48Å; L73-V78 HydrophobicContact CD2-CB 4.24Å; L73-V78 HydrophobicContact CD2-CG1 3.78Å; L73-V78 HydrophobicContact CD2-CG2 3.67Å; V78-I80 HydrophobicContact CG1-CG1 4.01Å
79	N	92.6	Very high	90	Very high	20 Å²	20	70 Å²	70	11%	0.107	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	119.8	174.9	-63.7	-42.5	0	0	0	108.9	L21 Y71 K72 Q77	L21-N79 CarbonylContact O-C 3.14Å; L21-N79 WeakPolarHBondContact O-CA 3.29Å; Y71-N79 CarbonylContact C-O 3.58Å; Y71-N79 VanDerWaalsContact CA-O 3.23Å; Y71-N79 WeakPolarHBondContact CA-O 3.32Å; K72-N79 HydrophobicContact CB-CB 4.48Å; K72-N79 PolarHBondContact N-O 3.41Å; K72-N79 PolarHBondContact O-N 2.85Å; Q77-N79 PolarHBondContact NE2-ND2 3.27Å; Q77-N79 PolarHBondContact NE2-OD1 3.38Å
80	I	93.3	Very high	90.1	Very high	2 Å²	2	69 Å²	69	1%	0.01	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129.4	177.6	-49.7	170.4	0	0	0	107.6	L21 V23 I33 L40 F42 P69 V78 V82	L21-I80 HydrophobicContact CB-CB 4.2Å; L21-I80 PolarHBondContact N-O 3.44Å; L21-I80 PolarHBondContact O-N 3.15Å; V23-I80 HydrophobicContact CG2-CD1 4.05Å; I33-I80 HydrophobicContact CD1-CD1 3.94Å; I33-I80 HydrophobicContact CD1-CG1 4.11Å; I33-I80 HydrophobicContact CG2-CD1 4.26Å; L40-I80 HydrophobicContact CD2-CD1 4.49Å; F42-I80 HydrophobicContact CD2-CD1 3.86Å; F42-I80 HydrophobicContact CE2-CD1 4.28Å; P69-I80 HydrophobicContact CB-CG2 4.11Å; V78-I80 HydrophobicContact CG1-CG1 4.01Å; I80-V82 HydrophobicContact CG2-CG2 4.07Å
81	T	93.6	Very high	89.9	Confident	34 Å²	34	73.5 Å²	73.5	21%	0.209	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	123	174.9	-60.3	0	0	0	0	108.6	L19 Y20 V70	L19-T81 WeakPolarHBondContact O-CA 3.34Å; Y20-T81 HydrophobicContact CD1-CG2 4.13Å; Y20-T81 HydrophobicContact CE1-CG2 3.89Å; V70-T81 PolarHBondContact N-O 3.48Å; V70-T81 PolarHBondContact O-N 3.47Å
82	V	93.2	Very high	89.8	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131	-180	-179.2	0	0	0	0	108.8	E18 L19 I35 F61 V65 P69 I80	E18-V82 WeakPolarHBondContact CA-O 3.42Å; L19-V82 HydrophobicContact CB-CB 4.24Å; L19-V82 PolarHBondContact N-O 3.45Å; L19-V82 PolarHBondContact O-N 3Å; I35-V82 HydrophobicContact CD1-CG1 3.85Å; I35-V82 HydrophobicContact CD1-CG2 4.08Å; F61-V82 HydrophobicContact CE2-CG1 4.29Å; F61-V82 HydrophobicContact CZ-CG1 4.28Å; F61-V82 HydrophobicContact CZ-CG2 4.13Å; V65-V82 HydrophobicContact CB-CG1 3.59Å; V65-V82 HydrophobicContact CG1-CG1 3.78Å; V65-V82 HydrophobicContact CG2-CG1 3.84Å; P69-V82 HydrophobicContact CB-CG2 4.4Å; I80-V82 HydrophobicContact CG2-CG2 4.07Å
83	Q	92.4	Very high	89.7	Confident	77 Å²	77	66.2 Å²	66.2	36%	0.36	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	128.5	177	-68.6	-171.1	3.3	0	0	110.8	V65 K66	V65-Q83 WeakPolarHBondContact CA-O 3.48Å; K66-Q83 HydrophobicContact CB-CB 4.36Å; K66-Q83 HydrophobicContact CD-CB 3.99Å; K66-Q83 HydrophobicContact CG-CB 4.28Å; K66-Q83 PolarHBondContact N-O 2.81Å
84	K	92.3	Very high	89.7	Confident	9 Å²	9	63.1 Å²	63.1	4%	0.039	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-68.5	146.3	171.3	-62.4	175.9	174.5	174.9	0	109.6	R15 R17 L19 V86 Q88 W90	R15-K84 PolarHBondContact O-NZ 2.77Å; R17-K84 PolarHBondContact O-N 2.8Å; L19-K84 HydrophobicContact CD1-CG 4.38Å; L19-K84 HydrophobicContact CG-CG 4.15Å; K84-V86 WeakPolarHBondContact CB-O 3.39Å; K84-Q88 PolarHBondContact NZ-O 3.03Å; K84-W90 HydrophobicContact CD-CD2 4.49Å; K84-W90 HydrophobicContact CD-CZ2 4.24Å; K84-W90 HydrophobicContact CG-CZ2 3.95Å
85	K	89.9	Confident	89.6	Confident	140 Å²	140	66.1 Å²	66.1	61%	0.609	31%	0.306	S	S	*	.	S	Bend	trans	-72	-37.4	175	-170.2	174.9	-178.2	178.8	0	111.7	L64	L64-K85 HydrophobicContact CB-CB 4.06Å; L64-K85 HydrophobicContact CB-CD 3.96Å; L64-K85 HydrophobicContact CD1-CD 4.05Å; L64-K85 WeakPolarHBondContact O-CB 3.33Å; L64-K85 PolarHBondContact O-N 2.94Å
86	V	88.6	Confident	89.6	Confident	83 Å²	83	64 Å²	64	50%	0.503	30%	0.296	S	S	.	.	S	Bend	trans	-117.2	137.6	176.7	-178.1	0	0	0	0	108.9	K84 Q88	K84-V86 WeakPolarHBondContact CB-O 3.39Å; V86-Q88 PolarHBondContact O-N 3.46Å
87	S	87.8	Confident	89.2	Confident	59 Å²	59	62.9 Å²	62.9	41%	0.413	30%	0.299	S	S	.	.			trans	-76.2	98.9	177.2	-174.5	0	0	0	0	109.7	H16 R17	H16-S87 CarbonylContact O-C 3.47Å; H16-S87 VanDerWaalsContact O-CA 3.26Å; H16-S87 WeakPolarHBondContact O-CA 3.3Å; R17-S87 WeakPolarHBondContact CG-OG 3.15Å
88	Q	88.3	Confident	88.7	Confident	68 Å²	68	68.7 Å²	68.7	32%	0.318	32%	0.323	S	S	.	.			trans	-153.7	152	-177.9	61.6	-177.4	-29.2	0	0	110.9	H16 D63 K84 V86	H16-Q88 PolarHBondContact O-N 3.06Å; D63-Q88 PolarHBondContact OD2-NE2 3.32Å; K84-Q88 PolarHBondContact NZ-O 3.03Å; V86-Q88 PolarHBondContact O-N 3.46Å
89	W	89.1	Confident	88.1	Confident	54 Å²	54	76.5 Å²	76.5	21%	0.205	35%	0.353	C	S	.	.			trans	-76.1	137.7	171.8	-165.8	-106.6	0	0	0	110.4	Q14 L111 E113 A116	Q14-W89 HydrophobicContact CG-CE3 4.25Å; Q14-W89 HydrophobicContact CG-CH2 3.73Å; Q14-W89 HydrophobicContact CG-CZ2 4.02Å; Q14-W89 HydrophobicContact CG-CZ3 3.85Å; Q14-W89 VanDerWaalsContact NE2-CE2 3.32Å; W89-L111 WeakPolarHBondContact CH2-O 3.49Å; W89-E113 HydrophobicContact CB-CG 4.18Å; W89-E113 WeakPolarHBondContact CB-OE1 3.34Å; W89-E113 HydrophobicContact CD2-CB 3.92Å; W89-E113 HydrophobicContact CD2-CG 3.97Å; W89-E113 HydrophobicContact CE3-CB 4.36Å; W89-E113 HydrophobicContact CE3-CG 4.35Å; W89-E113 HydrophobicContact CG-CB 4.19Å; W89-E113 HydrophobicContact CG-CG 3.88Å; W89-E113 HydrophobicContact CZ2-CB 4.24Å; W89-A116 HydrophobicContact CE3-CB 4.49Å; W89-A116 HydrophobicContact CH2-CB 4.27Å; W89-A116 HydrophobicContact CZ3-CB 3.63Å
90	W	91.1	Very high	87.8	Confident	4 Å²	4	76.8 Å²	76.8	2%	0.015	36%	0.356	C	S	.	.			trans	-106.4	125.1	177.8	-67.4	-2.4	0	0	0	110	Q14 L19 F61 L62 D63 V65 K84 R92 L93	Q14-W90 PolarHBondContact NE2-O 3.3Å; L19-W90 HydrophobicContact CD1-CE3 4.08Å; L19-W90 HydrophobicContact CD1-CH2 3.63Å; L19-W90 HydrophobicContact CD1-CZ2 4.47Å; L19-W90 HydrophobicContact CD1-CZ3 3.4Å; L19-W90 VanDerWaalsContact CD1-CZ3 3.4Å; L19-W90 HydrophobicContact CD2-CE3 4.06Å; L19-W90 HydrophobicContact CD2-CZ3 4.24Å; L19-W90 HydrophobicContact CG-CZ3 4.4Å; F61-W90 HydrophobicContact CB-CH2 3.88Å; F61-W90 HydrophobicContact CB-CZ3 3.95Å; F61-W90 HydrophobicContact CD1-CZ3 4.08Å; F61-W90 HydrophobicContact CG-CH2 4.4Å; F61-W90 HydrophobicContact CG-CZ3 4.36Å; L62-W90 HydrophobicContact CB-CD2 4.33Å; L62-W90 HydrophobicContact CB-CE3 4.03Å; L62-W90 HydrophobicContact CB-CZ3 4.25Å; L62-W90 HydrophobicContact CD2-CB 4.1Å; L62-W90 HydrophobicContact CD2-CG 4.22Å; D63-W90 HydrophobicContact CB-CZ2 3.8Å; D63-W90 WeakPolarHBondContact O-CH2 3.22Å; V65-W90 HydrophobicContact CG1-CH2 3.69Å; V65-W90 HydrophobicContact CG1-CZ2 4.31Å; K84-W90 HydrophobicContact CD-CD2 4.49Å; K84-W90 HydrophobicContact CD-CZ2 4.24Å; K84-W90 HydrophobicContact CG-CZ2 3.95Å; W90-R92 PolarHBondContact O-N 3.41Å; W90-L93 HydrophobicContact CE3-CD1 4.36Å; W90-L93 HydrophobicContact CZ3-CD1 4.29Å
91	E	86.7	Confident	87.5	Confident	191 Å²	191	85.3 Å²	85.3	89%	0.893	40%	0.401	S	S	*	.	S	Bend	trans	-64.2	-27.8	174.8	-63.3	-178.2	175.5	0	0	112.1
92	R	87.4	Confident	87.3	Confident	100 Å²	100	85.1 Å²	85.1	38%	0.377	40%	0.397	S	S	.	.			trans	-145.9	152.5	177.3	62.1	-176.7	-168.7	-135.7	10.3	111.8	L62 W90 T94 K95	L62-R92 WeakPolarHBondContact CB-O 3.4Å; L62-R92 HydrophobicContact CD1-CG 4Å; L62-R92 HydrophobicContact CD2-CG 4.04Å; L62-R92 VanDerWaalsContact CD2-O 3.3Å; L62-R92 WeakPolarHBondContact CD2-O 3.39Å; L62-R92 HydrophobicContact CG-CG 4.49Å; W90-R92 PolarHBondContact O-N 3.41Å; R92-T94 WeakPolarHBondContact CD-O 3.36Å; R92-T94 WeakPolarHBondContact CG-O 3.48Å; R92-T94 PolarHBondContact NE-O 2.89Å; R92-K95 PolarHBondContact NH2-O 3.47Å
93	L	88.1	Confident	87.2	Confident	4 Å²	4	85.4 Å²	85.4	2%	0.021	40%	0.398	C	S	.	.	S	Bend	trans	-75.2	-41.2	178.8	-175.6	68	0	0	0	112.7	W12 L19 L21 L59 F61 L62 W90 L103	W12-L93 HydrophobicContact CB-CD2 3.84Å; W12-L93 HydrophobicContact CD2-CB 3.92Å; W12-L93 HydrophobicContact CD2-CD1 4.33Å; W12-L93 HydrophobicContact CD2-CD2 3.78Å; W12-L93 HydrophobicContact CD2-CG 4.23Å; W12-L93 HydrophobicContact CE3-CB 3.95Å; W12-L93 HydrophobicContact CE3-CD1 3.82Å; W12-L93 HydrophobicContact CE3-CD2 4.14Å; W12-L93 HydrophobicContact CE3-CG 4.19Å; W12-L93 HydrophobicContact CG-CD2 3.63Å; W12-L93 HydrophobicContact CH2-CB 4.03Å; W12-L93 HydrophobicContact CZ2-CB 4.01Å; W12-L93 HydrophobicContact CZ3-CB 4Å; W12-L93 HydrophobicContact CZ3-CD1 4.2Å; L19-L93 HydrophobicContact CD1-CD1 4.09Å; L19-L93 HydrophobicContact CD2-CD1 3.96Å; L21-L93 HydrophobicContact CD2-CD2 3.94Å; L59-L93 HydrophobicContact CD1-CD2 4.49Å; L59-L93 HydrophobicContact CD2-CD2 3.81Å; L59-L93 HydrophobicContact CD2-CG 4.43Å; F61-L93 WeakPolarHBondContact CA-O 3.48Å; F61-L93 HydrophobicContact CD1-CD1 4.13Å; F61-L93 HydrophobicContact CE1-CD1 4.26Å; L62-L93 PolarHBondContact N-O 3.31Å; W90-L93 HydrophobicContact CE3-CD1 4.36Å; W90-L93 HydrophobicContact CZ3-CD1 4.29Å; L93-L103 HydrophobicContact CD2-CD1 3.98Å; L93-L103 HydrophobicContact CD2-CD2 3.78Å; L93-L103 HydrophobicContact CD2-CG 4.49Å
94	T	89.1	Confident	87.1	Confident	12 Å²	12	83.2 Å²	83.2	7%	0.074	39%	0.393	C	S	.	.	B	Isolated β-bridge	trans	-101.5	150	-173	52.1	0	0	0	0	112.2	L59 E60 R92 Q96 P100 L103	L59-T94 HydrophobicContact CD1-CG2 3.39Å; L59-T94 HydrophobicContact CG-CG2 4.26Å; E60-T94 VanDerWaalsContact O-CA 3.3Å; E60-T94 WeakPolarHBondContact O-CA 3.49Å; R92-T94 WeakPolarHBondContact CD-O 3.36Å; R92-T94 WeakPolarHBondContact CG-O 3.48Å; R92-T94 PolarHBondContact NE-O 2.89Å; T94-Q96 VanDerWaalsContact C-N 3.29Å; T94-Q96 PolarHBondContact O-N 2.95Å; T94-Q96 PolarHBondContact OG1-O 3.45Å; T94-P100 HydrophobicContact CG2-CG 4.45Å; T94-L103 HydrophobicContact CG2-CD2 4.39Å
95	K	85.9	Confident	87.1	Confident	118 Å²	118	84.1 Å²	84.1	51%	0.513	40%	0.4	S	S	.	.	S	Bend	trans	-64.2	-36	172.5	-167	-179.6	-177.5	178.4	0	112.5	E60 R92	E60-K95 HydrophobicContact CG-CB 4.29Å; E60-K95 PolarHBondContact O-N 3.12Å; E60-K95 WeakPolarHBondContact OE1-CD 3.39Å; E60-K95 IonicContact OE1-NZ 3.49Å; E60-K95 PolarHBondContact OE1-NZ 3.49Å; R92-K95 PolarHBondContact NH2-O 3.47Å
96	Q	83.7	Confident	87.1	Confident	117 Å²	117	77.5 Å²	77.5	55%	0.547	37%	0.372	S	S	.	.	S	Bend	trans	-68.1	138.5	176.4	-59.5	179.6	13.6	0	0	111.4	T94	T94-Q96 VanDerWaalsContact C-N 3.29Å; T94-Q96 PolarHBondContact O-N 2.95Å; T94-Q96 PolarHBondContact OG1-O 3.45Å
97	E	76.9	Confident	87.1	Confident	171 Å²	171	81.4 Å²	81.4	80%	0.799	38%	0.382	S	S	*	.	S	Bend	trans	-71.4	-34.3	179	-66.6	-176.4	170.6	0	0	112.8	R99	E97-R99 PolarHBondContact O-N 3.47Å
98	K	80	Confident	87	Confident	179 Å²	179	84.8 Å²	84.8	78%	0.778	40%	0.395	S	S	*	.	S	Bend	trans	-81.2	117.3	175.9	-69.6	-174.2	-179.3	179.3	0	109.6
99	R	81	Confident	86.9	Confident	164 Å²	164	86 Å²	86	62%	0.619	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-61.8	128.2	174.7	-174.4	-179.6	69.1	-166.4	0.6	110.5	E97 L103	E97-R99 PolarHBondContact O-N 3.47Å; R99-L103 WeakPolarHBondContact CD-O 3.31Å; R99-L103 HydrophobicContact CG-CB 4.47Å; R99-L103 HydrophobicContact CG-CD2 4.41Å; R99-L103 PolarHBondContact NE-O 3.32Å
100	P	85.8	Confident	86.8	Confident	27 Å²	27	88.5 Å²	88.5	18%	0.175	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-57.7	140.7	172.5	-23.2	32.8	0	0	0	111.8	T94 F102 L103	T94-P100 HydrophobicContact CG2-CG 4.45Å; P100-F102 HydrophobicContact CB-CD1 3.76Å; P100-F102 HydrophobicContact CB-CE1 3.4Å; P100-F102 VanDerWaalsContact CB-CE1 3.4Å; P100-F102 HydrophobicContact CB-CE2 4.49Å; P100-F102 HydrophobicContact CB-CG 4.44Å; P100-F102 HydrophobicContact CB-CZ 3.81Å; P100-F102 HydrophobicContact CG-CE1 4.29Å; P100-F102 HydrophobicContact CG-CZ 4.33Å; P100-F102 PolarHBondContact O-N 3.14Å; P100-F102 VanDerWaalsContact O-N 3.15Å; P100-L103 HydrophobicContact CB-CB 4.37Å; P100-L103 PolarHBondContact O-N 3.35Å; P100-L103 VanDerWaalsContact O-N 3.1Å
101	L	86.4	Confident	86.7	Confident	181 Å²	181	90 Å²	90	95%	0.948	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-25.2	-175.3	-66.7	174.1	0	0	0	113.8
102	F	88.9	Confident	86.8	Confident	30 Å²	30	84.4 Å²	84.4	13%	0.132	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-9.7	-179.1	67.5	-99.1	0	0	0	113.7	T7 P8 V10 F57 P100	T7-F102 HydrophobicContact CG2-CD1 4.15Å; P8-F102 WeakPolarHBondContact O-CB 3.4Å; V10-F102 HydrophobicContact CB-CD2 4.19Å; V10-F102 HydrophobicContact CG2-CD2 3.89Å; V10-F102 HydrophobicContact CG2-CE2 4.21Å; V10-F102 PolarHBondContact N-O 3.23Å; F57-F102 HydrophobicContact CB-CE2 4.12Å; F57-F102 HydrophobicContact CB-CZ 4.02Å; F57-F102 AromaticContact CD2-CE2 3.95Å; F57-F102 HydrophobicContact CD2-CE2 3.95Å; F57-F102 HydrophobicContact CD2-CZ 4.2Å; F57-F102 HydrophobicContact CG-CE2 4.09Å; F57-F102 HydrophobicContact CG-CZ 4.38Å; P100-F102 HydrophobicContact CB-CD1 3.76Å; P100-F102 HydrophobicContact CB-CE1 3.4Å; P100-F102 VanDerWaalsContact CB-CE1 3.4Å; P100-F102 HydrophobicContact CB-CE2 4.49Å; P100-F102 HydrophobicContact CB-CG 4.44Å; P100-F102 HydrophobicContact CB-CZ 3.81Å; P100-F102 HydrophobicContact CG-CE1 4.29Å; P100-F102 HydrophobicContact CG-CZ 4.33Å; P100-F102 PolarHBondContact O-N 3.14Å; P100-F102 VanDerWaalsContact O-N 3.15Å
103	L	91.6	Very high	86.8	Confident	6 Å²	6	84.1 Å²	84.1	3%	0.031	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	124.1	-173.5	-175.2	73.7	0	0	0	111.4	V10 W12 L59 L93 T94 R99 P100	V10-L103 HydrophobicContact CB-CD1 4.22Å; V10-L103 HydrophobicContact CG1-CD1 4.06Å; V10-L103 CarbonylContact O-C 3.38Å; V10-L103 WeakPolarHBondContact O-CA 3.04Å; W12-L103 HydrophobicContact CB-CD1 4.21Å; W12-L103 HydrophobicContact CG-CD1 4.2Å; L59-L103 HydrophobicContact CD1-CD2 4.33Å; L93-L103 HydrophobicContact CD2-CD1 3.98Å; L93-L103 HydrophobicContact CD2-CD2 3.78Å; L93-L103 HydrophobicContact CD2-CG 4.49Å; T94-L103 HydrophobicContact CG2-CD2 4.39Å; R99-L103 WeakPolarHBondContact CD-O 3.31Å; R99-L103 HydrophobicContact CG-CB 4.47Å; R99-L103 HydrophobicContact CG-CD2 4.41Å; R99-L103 PolarHBondContact NE-O 3.32Å; P100-L103 HydrophobicContact CB-CB 4.37Å; P100-L103 PolarHBondContact O-N 3.35Å; P100-L103 VanDerWaalsContact O-N 3.1Å
104	A	91.5	Very high	86.7	Confident	31 Å²	31	87.3 Å²	87.3	26%	0.256	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	156.9	178.5	0	0	0	0	0	112.1	V10 Y11 W12	V10-A104 PolarHBondContact O-N 3.42Å; Y11-A104 CarbonylContact C-O 3.57Å; Y11-A104 WeakPolarHBondContact CA-O 3.14Å; Y11-A104 HydrophobicContact CD1-CB 3.88Å; Y11-A104 HydrophobicContact CE1-CB 4.07Å; W12-A104 PolarHBondContact N-O 2.92Å
105	P	90.6	Very high	86.6	Confident	28 Å²	28	90.2 Å²	90.2	18%	0.182	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	137.8	170.2	-22.2	34.9	0	0	0	112.2	F107 W110	P105-F107 HydrophobicContact CB-CE2 4.48Å; P105-F107 HydrophobicContact CB-CZ 4.35Å; P105-F107 PolarHBondContact O-N 2.87Å; P105-W110 HydrophobicContact CB-CE3 3.79Å; P105-W110 HydrophobicContact CB-CH2 4.44Å; P105-W110 HydrophobicContact CB-CZ3 3.76Å; P105-W110 HydrophobicContact CG-CZ3 4.47Å
106	D	91.7	Very high	86.6	Confident	1 Å²	1	84.7 Å²	84.7	1%	0.005	41%	0.408	C	S	.	.			trans	-85.7	88.4	170.7	-170.9	-2.4	0	0	0	109.9	W12 A13 R22 D108 R109 W110	W12-D106 PolarHBondContact O-N 3.37Å; A13-D106 HydrophobicContact CB-CB 4.16Å; R22-D106 IonicContact CZ-OD1 2.69Å; R22-D106 IonicContact CZ-OD2 3.44Å; R22-D106 IonicContact NE-OD1 2.84Å; R22-D106 IonicContact NE-OD2 3.77Å; R22-D106 IonicContact NH1-OD1 3.58Å; R22-D106 PolarHBondContact NH1-OD1 3.14Å; R22-D106 IonicContact NH1-OD2 2.72Å; R22-D106 IonicContact NH2-OD1 3.94Å; R22-D106 PolarHBondContact NH2-OD1 3.13Å; D106-D108 PolarHBondContact O-N 3.1Å; D106-D108 VanDerWaalsContact O-N 3.17Å; D106-D108 PolarHBondContact OD1-N 3.27Å; D106-R109 CarbonylContact O-C 3.58Å; D106-R109 PolarHBondContact O-N 3.43Å; D106-R109 VanDerWaalsContact O-N 3.07Å; D106-W110 WeakPolarHBondContact O-CB 3.39Å; D106-W110 PolarHBondContact O-N 3.42Å
107	F	87.7	Confident	86.7	Confident	165 Å²	165	82.4 Å²	82.4	72%	0.724	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-25.8	-179	-67.6	-73.7	0	0	0	113.6	P105 R109	P105-F107 HydrophobicContact CB-CE2 4.48Å; P105-F107 HydrophobicContact CB-CZ 4.35Å; P105-F107 PolarHBondContact O-N 2.87Å; F107-R109 PolarHBondContact O-N 3.01Å
108	D	86	Confident	87.1	Confident	129 Å²	129	80.6 Å²	80.6	69%	0.69	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-23.6	179.2	-59.8	-38.8	0	0	0	112.3	R22 D106	R22-D108 IonicContact CZ-OD2 2.67Å; R22-D108 IonicContact NH1-OD2 2.82Å; R22-D108 PolarHBondContact NH1-OD2 3.46Å; R22-D108 IonicContact NH2-OD2 3.17Å; R22-D108 PolarHBondContact NH2-OD2 3.32Å; D106-D108 PolarHBondContact O-N 3.1Å; D106-D108 VanDerWaalsContact O-N 3.17Å; D106-D108 PolarHBondContact OD1-N 3.27Å
109	R	85.8	Confident	87.5	Confident	93 Å²	93	76 Å²	76	35%	0.351	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-0.1	-178.5	-65.1	-175.5	177.9	-151.7	1.1	113.3	A13 R15 D106 F107 L111	A13-R109 HydrophobicContact CB-CB 3.75Å; R15-R109 PolarHBondContact NH1-O 3.19Å; R15-R109 PolarHBondContact NH2-O 3.02Å; D106-R109 CarbonylContact O-C 3.58Å; D106-R109 PolarHBondContact O-N 3.43Å; D106-R109 VanDerWaalsContact O-N 3.07Å; F107-R109 PolarHBondContact O-N 3.01Å; R109-L111 PolarHBondContact O-N 2.59Å
110	W	88	Confident	87.7	Confident	107 Å²	107	70.3 Å²	70.3	41%	0.405	35%	0.353	S	S	.	.			trans	-66.8	127	-176.2	-164.7	-90.8	0	0	0	110.1	W12 P105 D106	W12-W110 HydrophobicContact CD2-CZ3 4.46Å; W12-W110 HydrophobicContact CH2-CH2 4.12Å; W12-W110 HydrophobicContact CH2-CZ3 4.28Å; W12-W110 AromaticContact CZ2-CH2 3.92Å; W12-W110 HydrophobicContact CZ2-CH2 3.92Å; W12-W110 HydrophobicContact CZ2-CZ3 4Å; P105-W110 HydrophobicContact CB-CE3 3.79Å; P105-W110 HydrophobicContact CB-CH2 4.44Å; P105-W110 HydrophobicContact CB-CZ3 3.76Å; P105-W110 HydrophobicContact CG-CZ3 4.47Å; D106-W110 WeakPolarHBondContact O-CB 3.39Å; D106-W110 PolarHBondContact O-N 3.42Å
111	L	87.3	Confident	87.8	Confident	36 Å²	36	76.8 Å²	76.8	19%	0.188	37%	0.374	C	S	.	.			trans	-127.3	152.5	167.2	-71.7	-175.5	0	0	0	107.7	W89 R109 D115 A116 E119	W89-L111 WeakPolarHBondContact CH2-O 3.49Å; R109-L111 PolarHBondContact O-N 2.59Å; L111-D115 HydrophobicContact CB-CB 4.28Å; L111-D115 HydrophobicContact CD1-CB 4.37Å; L111-D115 HydrophobicContact CD2-CB 4.05Å; L111-D115 HydrophobicContact CG-CB 4.47Å; L111-A116 HydrophobicContact CB-CB 4.39Å; L111-A116 HydrophobicContact CD1-CB 4.49Å; L111-E119 HydrophobicContact CD1-CG 4.35Å; L111-E119 WeakPolarHBondContact CD1-OE2 3.28Å
112	D	89.1	Confident	87.9	Confident	74 Å²	74	70.7 Å²	70.7	40%	0.396	35%	0.35	S	S	.	.			trans	-78	172.2	164.4	66.9	18.7	0	0	0	111	S114 D115 A116	D112-S114 VanDerWaalsContact C-N 3.33Å; D112-S114 VanDerWaalsContact CG-OG 3.23Å; D112-S114 PolarHBondContact O-N 3.4Å; D112-S114 PolarHBondContact OD1-N 3.19Å; D112-S114 PolarHBondContact OD1-OG 3.01Å; D112-S114 PolarHBondContact OD2-OG 3.04Å; D112-D115 WeakPolarHBondContact OD1-CB 3.27Å; D112-D115 PolarHBondContact OD1-N 3.48Å; D112-A116 WeakPolarHBondContact O-CB 3.44Å; D112-A116 PolarHBondContact O-N 3.27Å; D112-A116 VanDerWaalsContact O-N 3.09Å
113	E	87.1	Confident	87.9	Confident	94 Å²	94	75.7 Å²	75.7	44%	0.439	37%	0.372	S	S	.	.	H	α-helix	trans	-60.9	-43.5	-177.8	-175.6	172.5	-160.2	0	0	111.2	W89 A116 E117	W89-E113 HydrophobicContact CB-CG 4.18Å; W89-E113 WeakPolarHBondContact CB-OE1 3.34Å; W89-E113 HydrophobicContact CD2-CB 3.92Å; W89-E113 HydrophobicContact CD2-CG 3.97Å; W89-E113 HydrophobicContact CE3-CB 4.36Å; W89-E113 HydrophobicContact CE3-CG 4.35Å; W89-E113 HydrophobicContact CG-CB 4.19Å; W89-E113 HydrophobicContact CG-CG 3.88Å; W89-E113 HydrophobicContact CZ2-CB 4.24Å; E113-A116 PolarHBondContact O-N 3.37Å; E113-E117 WeakPolarHBondContact O-CG 3.18Å; E113-E117 PolarHBondContact O-N 3.15Å
114	S	85.9	Confident	87.7	Confident	71 Å²	71	80 Å²	80	50%	0.497	39%	0.392	S	S	.	.	H	α-helix	trans	-62.7	-44.5	-179.7	36.1	0	0	0	0	113.4	D112 E117 M118	D112-S114 VanDerWaalsContact C-N 3.33Å; D112-S114 VanDerWaalsContact CG-OG 3.23Å; D112-S114 PolarHBondContact O-N 3.4Å; D112-S114 PolarHBondContact OD1-N 3.19Å; D112-S114 PolarHBondContact OD1-OG 3.01Å; D112-S114 PolarHBondContact OD2-OG 3.04Å; S114-E117 WeakPolarHBondContact O-CB 3.37Å; S114-E117 PolarHBondContact O-N 2.88Å; S114-M118 PolarHBondContact O-N 3.35Å
115	D	87.6	Confident	87.5	Confident	72 Å²	72	84.5 Å²	84.5	39%	0.385	41%	0.408	S	S	.	.	H	α-helix	trans	-68.6	-41	178.9	-72.5	-15.3	0	0	0	110.5	L111 D112 E117 M118 E119	L111-D115 HydrophobicContact CB-CB 4.28Å; L111-D115 HydrophobicContact CD1-CB 4.37Å; L111-D115 HydrophobicContact CD2-CB 4.05Å; L111-D115 HydrophobicContact CG-CB 4.47Å; D112-D115 WeakPolarHBondContact OD1-CB 3.27Å; D112-D115 PolarHBondContact OD1-N 3.48Å; D115-E117 VanDerWaalsContact C-N 3.29Å; D115-E117 PolarHBondContact O-N 2.84Å; D115-M118 PolarHBondContact O-N 3.35Å; D115-E119 PolarHBondContact O-N 2.99Å
116	A	85.6	Confident	87.4	Confident	2 Å²	2	88.1 Å²	88.1	2%	0.017	42%	0.422	C	S	.	.	H	α-helix	trans	-66.5	-29.6	175.8	0	0	0	0	0	112.8	H16 W89 L111 D112 E113 L120	H16-A116 VanDerWaalsContact CE1-C 3.5Å; H16-A116 PolarHBondContact ND1-O 3.43Å; W89-A116 HydrophobicContact CE3-CB 4.49Å; W89-A116 HydrophobicContact CH2-CB 4.27Å; W89-A116 HydrophobicContact CZ3-CB 3.63Å; L111-A116 HydrophobicContact CB-CB 4.39Å; L111-A116 HydrophobicContact CD1-CB 4.49Å; D112-A116 WeakPolarHBondContact O-CB 3.44Å; D112-A116 PolarHBondContact O-N 3.27Å; D112-A116 VanDerWaalsContact O-N 3.09Å; E113-A116 PolarHBondContact O-N 3.37Å; A116-L120 PolarHBondContact O-N 2.96Å
117	E	87.3	Confident	87.1	Confident	70 Å²	70	96.6 Å²	96.6	33%	0.327	45%	0.454	S	S	.	.	H	α-helix	trans	-69.8	-43.8	171.3	-83.2	-163.7	-167	0	0	111.1	H16 E113 S114 D115 E119 L120 R121	H16-E117 WeakPolarHBondContact CE1-CG 3.26Å; H16-E117 PolarHBondContact CE1-N 3.37Å; H16-E117 VanDerWaalsContact CE1-N 3.32Å; H16-E117 WeakPolarHBondContact NE2-CG 3.33Å; E113-E117 WeakPolarHBondContact O-CG 3.18Å; E113-E117 PolarHBondContact O-N 3.15Å; S114-E117 WeakPolarHBondContact O-CB 3.37Å; S114-E117 PolarHBondContact O-N 2.88Å; D115-E117 VanDerWaalsContact C-N 3.29Å; D115-E117 PolarHBondContact O-N 2.84Å; E117-E119 PolarHBondContact O-N 3.31Å; E117-L120 WeakPolarHBondContact O-CB 3.26Å; E117-L120 PolarHBondContact O-N 3.37Å; E117-L120 VanDerWaalsContact O-N 3.16Å; E117-R121 WeakPolarHBondContact O-CG 3.47Å; E117-R121 PolarHBondContact O-N 3.45Å; E117-R121 IonicContact OE2-CZ 2.85Å; E117-R121 IonicContact OE2-NE 3.77Å; E117-R121 IonicContact OE2-NH2 2.68Å; E117-R121 PolarHBondContact OE2-NH2 3.21Å
118	M	85.3	Confident	87	Confident	132 Å²	132	92.6 Å²	92.6	65%	0.65	44%	0.439	S	S	*	.	H	α-helix	trans	-61	-44.5	178.8	-169.3	-178.7	-60.1	0	0	111.3	S114 D115 L120 R121 A122	S114-M118 PolarHBondContact O-N 3.35Å; D115-M118 PolarHBondContact O-N 3.35Å; M118-L120 VanDerWaalsContact C-N 3.3Å; M118-L120 PolarHBondContact O-N 2.96Å; M118-R121 PolarHBondContact O-N 3.31Å; M118-A122 WeakPolarHBondContact O-CB 3.24Å; M118-A122 PolarHBondContact O-N 2.92Å
119	E	87	Confident	86.9	Confident	82 Å²	82	89.6 Å²	89.6	38%	0.383	42%	0.424	S	S	.	.	H	α-helix	trans	-58.9	-39.9	174	-76.2	-168	159	0	0	112.5	R15 L111 D115 E117 K123	R15-E119 IonicContact NE-OE2 3.93Å; R15-E119 PolarHBondContact NE-OE2 3.29Å; L111-E119 HydrophobicContact CD1-CG 4.35Å; L111-E119 WeakPolarHBondContact CD1-OE2 3.28Å; D115-E119 PolarHBondContact O-N 2.99Å; E117-E119 PolarHBondContact O-N 3.31Å; E119-K123 WeakPolarHBondContact O-CG 3.4Å; E119-K123 PolarHBondContact O-N 3.39Å; E119-K123 VanDerWaalsContact O-N 3.14Å
120	L	86.6	Confident	86.7	Confident	46 Å²	46	90.6 Å²	90.6	24%	0.241	43%	0.431	C	S	.	.	H	α-helix	trans	-66.1	-47.9	178.7	-177.8	66.7	0	0	0	110.9	H16 A116 E117 M118 A122 K123 E124	H16-L120 HydrophobicContact CB-CD2 4.31Å; A116-L120 PolarHBondContact O-N 2.96Å; E117-L120 WeakPolarHBondContact O-CB 3.26Å; E117-L120 PolarHBondContact O-N 3.37Å; E117-L120 VanDerWaalsContact O-N 3.16Å; M118-L120 VanDerWaalsContact C-N 3.3Å; M118-L120 PolarHBondContact O-N 2.96Å; L120-A122 PolarHBondContact O-N 3.48Å; L120-K123 PolarHBondContact O-N 3.39Å; L120-E124 WeakPolarHBondContact O-CG 3.14Å; L120-E124 PolarHBondContact O-N 3.26Å
121	R	87.3	Confident	86.4	Confident	162 Å²	162	89.8 Å²	89.8	61%	0.611	43%	0.434	S	S	*	.	H	α-helix	trans	-61.1	-44.1	178.3	-68.7	-178.5	-162.3	-169.3	8.7	111.5	E117 M118 K123 E124 E125	E117-R121 WeakPolarHBondContact O-CG 3.47Å; E117-R121 PolarHBondContact O-N 3.45Å; E117-R121 IonicContact OE2-CZ 2.85Å; E117-R121 IonicContact OE2-NE 3.77Å; E117-R121 IonicContact OE2-NH2 2.68Å; E117-R121 PolarHBondContact OE2-NH2 3.21Å; M118-R121 PolarHBondContact O-N 3.31Å; R121-K123 VanDerWaalsContact C-N 3.35Å; R121-K123 PolarHBondContact O-N 3.19Å; R121-E124 PolarHBondContact O-N 3.42Å; R121-E125 WeakPolarHBondContact O-CB 3.44Å; R121-E125 PolarHBondContact O-N 2.97Å
122	A	88.7	Confident	85.8	Confident	53 Å²	53	94.6 Å²	94.6	44%	0.438	45%	0.449	S	S	.	.	H	α-helix	trans	-60.4	-43.1	177.9	0	0	0	0	0	112.1	M118 L120 E125 E126	M118-A122 WeakPolarHBondContact O-CB 3.24Å; M118-A122 PolarHBondContact O-N 2.92Å; L120-A122 PolarHBondContact O-N 3.48Å; A122-E125 PolarHBondContact O-N 3.19Å; A122-E126 WeakPolarHBondContact O-CB 3.44Å; A122-E126 PolarHBondContact O-N 2.88Å
123	K	87.6	Confident	84.8	Confident	135 Å²	135	96.7 Å²	96.7	59%	0.587	46%	0.46	S	S	*	.	H	α-helix	trans	-65.6	-38.7	175.8	-75	176.3	-179.2	172.3	0	112.6	E119 L120 R121 R127	E119-K123 WeakPolarHBondContact O-CG 3.4Å; E119-K123 PolarHBondContact O-N 3.39Å; E119-K123 VanDerWaalsContact O-N 3.14Å; L120-K123 PolarHBondContact O-N 3.39Å; R121-K123 VanDerWaalsContact C-N 3.35Å; R121-K123 PolarHBondContact O-N 3.19Å; K123-R127 WeakPolarHBondContact O-CB 3.18Å; K123-R127 PolarHBondContact O-N 3.44Å
124	E	88	Confident	83.9	Confident	97 Å²	97	99.4 Å²	99.4	45%	0.453	47%	0.473	S	S	.	.	H	α-helix	trans	-67.6	-41.4	176.6	-73.7	-178.7	169.5	0	0	111.7	R17 L120 R121 R127 L128	R17-E124 IonicContact NH2-OE1 2.81Å; L120-E124 WeakPolarHBondContact O-CG 3.14Å; L120-E124 PolarHBondContact O-N 3.26Å; R121-E124 PolarHBondContact O-N 3.42Å; E124-R127 PolarHBondContact O-N 2.87Å; E124-L128 WeakPolarHBondContact O-CB 3.23Å; E124-L128 PolarHBondContact O-N 3.16Å
125	E	87.9	Confident	83	Confident	126 Å²	126	100.5 Å²	100.5	59%	0.589	48%	0.48	S	S	*	.	H	α-helix	trans	-64	-43.4	174.6	-172.5	175.5	-172.1	0	0	111.9	R121 A122 R127 L128 N129	R121-E125 WeakPolarHBondContact O-CB 3.44Å; R121-E125 PolarHBondContact O-N 2.97Å; A122-E125 PolarHBondContact O-N 3.19Å; E125-R127 VanDerWaalsContact C-N 3.32Å; E125-R127 PolarHBondContact O-N 3.41Å; E125-L128 PolarHBondContact O-N 3.22Å; E125-N129 WeakPolarHBondContact O-CB 3.39Å; E125-N129 PolarHBondContact O-N 3.01Å
126	E	87.3	Confident	81.6	Confident	103 Å²	103	104 Å²	104	48%	0.481	49%	0.494	S	S	.	.	H	α-helix	trans	-60.8	-42.8	175.5	-164.4	-165.1	153.8	0	0	111.4	A122 N129 K130	A122-E126 WeakPolarHBondContact O-CB 3.44Å; A122-E126 PolarHBondContact O-N 2.88Å; E126-N129 PolarHBondContact O-N 2.9Å; E126-K130 WeakPolarHBondContact O-CG 3.29Å; E126-K130 PolarHBondContact O-N 3.36Å; E126-K130 VanDerWaalsContact OE1-CE 3.26Å; E126-K130 WeakPolarHBondContact OE1-CE 3.44Å; E126-K130 IonicContact OE1-NZ 3.85Å; E126-K130 PolarHBondContact OE1-NZ 3.47Å
127	R	86.6	Confident	80.4	Confident	179 Å²	179	106.2 Å²	106.2	68%	0.675	52%	0.517	S	S	*	.	H	α-helix	trans	-64.2	-43.2	176.1	-172.2	-179	-178.3	-172.1	0.2	111.6	K123 E124 E125 N129 K130 L131	K123-R127 WeakPolarHBondContact O-CB 3.18Å; K123-R127 PolarHBondContact O-N 3.44Å; E124-R127 PolarHBondContact O-N 2.87Å; E125-R127 VanDerWaalsContact C-N 3.32Å; E125-R127 PolarHBondContact O-N 3.41Å; R127-N129 VanDerWaalsContact C-N 3.34Å; R127-K130 PolarHBondContact O-N 3.46Å; R127-L131 HydrophobicContact CG-CD1 4.44Å; R127-L131 WeakPolarHBondContact O-CG 3.39Å; R127-L131 PolarHBondContact O-N 3.23Å
128	L	85.4	Confident	79.2	Confident	81 Å²	81	105.2 Å²	105.2	42%	0.424	52%	0.518	S	S	.	.	H	α-helix	trans	-63.2	-41.5	177.3	-177.3	62.8	0	0	0	111.3	E124 E125 L131 R132	E124-L128 WeakPolarHBondContact O-CB 3.23Å; E124-L128 PolarHBondContact O-N 3.16Å; E125-L128 PolarHBondContact O-N 3.22Å; L128-L131 PolarHBondContact O-N 3.45Å; L128-R132 WeakPolarHBondContact O-CG 3.35Å; L128-R132 PolarHBondContact O-N 3.44Å
129	N	82.9	Confident	78.4	Confident	67 Å²	67	103.2 Å²	103.2	36%	0.358	52%	0.515	S	S	.	.	H	α-helix	trans	-63.4	-41.3	175.8	-77.5	-22.7	0	0	0	112	E125 E126 R127 R132 L133	E125-N129 WeakPolarHBondContact O-CB 3.39Å; E125-N129 PolarHBondContact O-N 3.01Å; E126-N129 PolarHBondContact O-N 2.9Å; R127-N129 VanDerWaalsContact C-N 3.34Å; N129-R132 PolarHBondContact O-N 3.41Å; N129-L133 WeakPolarHBondContact O-CB 3.39Å; N129-L133 WeakPolarHBondContact O-CD1 3.49Å; N129-L133 WeakPolarHBondContact O-CG 3.44Å; N129-L133 PolarHBondContact O-N 3.31Å
130	K	82.8	Confident	77.8	Confident	114 Å²	114	106 Å²	106	50%	0.496	53%	0.528	S	S	.	.	H	α-helix	trans	-59.8	-46	173.5	-74.3	175	-174.8	167.4	0	112	E126 R127 R132 L133 E134	E126-K130 WeakPolarHBondContact O-CG 3.29Å; E126-K130 PolarHBondContact O-N 3.36Å; E126-K130 VanDerWaalsContact OE1-CE 3.26Å; E126-K130 WeakPolarHBondContact OE1-CE 3.44Å; E126-K130 IonicContact OE1-NZ 3.85Å; E126-K130 PolarHBondContact OE1-NZ 3.47Å; R127-K130 PolarHBondContact O-N 3.46Å; K130-R132 PolarHBondContact O-N 2.94Å; K130-L133 PolarHBondContact O-N 2.99Å; K130-E134 WeakPolarHBondContact O-CG 3.19Å; K130-E134 PolarHBondContact O-N 3.33Å
131	L	80.1	Confident	77.5	Confident	90 Å²	90	107.3 Å²	107.3	47%	0.471	54%	0.538	S	S	.	.	H	α-helix	trans	-64.5	-38.9	177.4	-67.4	171.2	0	0	0	112.4	R127 L128 E134 S135	R127-L131 HydrophobicContact CG-CD1 4.44Å; R127-L131 WeakPolarHBondContact O-CG 3.39Å; R127-L131 PolarHBondContact O-N 3.23Å; L128-L131 PolarHBondContact O-N 3.45Å; L131-E134 PolarHBondContact O-N 3.02Å; L131-S135 WeakPolarHBondContact O-CB 3.28Å; L131-S135 PolarHBondContact O-N 3.41Å; L131-S135 PolarHBondContact O-OG 2.84Å
132	R	76.3	Confident	77.1	Confident	136 Å²	136	105.4 Å²	105.4	51%	0.513	54%	0.539	S	S	.	.	H	α-helix	trans	-60.8	-48.6	174.7	-78.2	178.9	177.2	173.1	-0.9	111.4	L128 N129 K130 E134 S135 E136	L128-R132 WeakPolarHBondContact O-CG 3.35Å; L128-R132 PolarHBondContact O-N 3.44Å; N129-R132 PolarHBondContact O-N 3.41Å; K130-R132 PolarHBondContact O-N 2.94Å; R132-E134 VanDerWaalsContact C-N 3.27Å; R132-E134 PolarHBondContact O-N 2.95Å; R132-S135 PolarHBondContact O-N 3.1Å; R132-S135 VanDerWaalsContact O-N 3.11Å; R132-S135 PolarHBondContact O-OG 3.38Å; R132-E136 PolarHBondContact O-N 3.23Å
133	L	67.4	Low	76.8	Confident	118 Å²	118	106 Å²	106	62%	0.618	54%	0.538	S	S	*	.	H	α-helix	trans	-61.5	-31.6	176.9	-76.1	158.2	0	0	0	113.3	N129 K130 E136	N129-L133 WeakPolarHBondContact O-CB 3.39Å; N129-L133 WeakPolarHBondContact O-CD1 3.49Å; N129-L133 WeakPolarHBondContact O-CG 3.44Å; N129-L133 PolarHBondContact O-N 3.31Å; K130-L133 PolarHBondContact O-N 2.99Å; L133-E136 VanDerWaalsContact O-O 3.13Å
134	E	69.3	Low	76.7	Confident	152 Å²	152	104.4 Å²	104.4	71%	0.71	54%	0.536	S	S	*	.	H	α-helix	trans	-74.9	-35.4	173.7	-74.7	175.4	175.9	0	0	112.3	K130 L131 R132	K130-E134 WeakPolarHBondContact O-CG 3.19Å; K130-E134 PolarHBondContact O-N 3.33Å; L131-E134 PolarHBondContact O-N 3.02Å; R132-E134 VanDerWaalsContact C-N 3.27Å; R132-E134 PolarHBondContact O-N 2.95Å
135	S	65.3	Low	76.7	Confident	93 Å²	93	105.8 Å²	105.8	65%	0.65	55%	0.545	S	S	*	.	H	α-helix	trans	-80.3	-38	-178.4	71.1	0	0	0	0	114	L131 R132 G137	L131-S135 WeakPolarHBondContact O-CB 3.28Å; L131-S135 PolarHBondContact O-N 3.41Å; L131-S135 PolarHBondContact O-OG 2.84Å; R132-S135 PolarHBondContact O-N 3.1Å; R132-S135 VanDerWaalsContact O-N 3.11Å; R132-S135 PolarHBondContact O-OG 3.38Å; S135-G137 PolarHBondContact O-N 2.76Å
136	E	59.8	Low	76.7	Confident	146 Å²	146	105 Å²	105	68%	0.682	54%	0.537	S	S	*	.	S	Bend	trans	-84.4	84.7	169.8	-67.5	-176.7	164.5	0	0	106.4	R132 L133 S138	R132-E136 PolarHBondContact O-N 3.23Å; L133-E136 VanDerWaalsContact O-O 3.13Å; E136-S138 PolarHBondContact O-N 3.13Å
137	G	59.5	Low	76.7	Confident	49 Å²	49	103.3 Å²	103.3	51%	0.505	53%	0.528	S	S	.	.			trans	-38.7	134.1	-175.6	0	0	0	0	0	112.3	S135	S135-G137 PolarHBondContact O-N 2.76Å
138	S	62.8	Low	76.9	Confident	48 Å²	48	96.4 Å²	96.4	34%	0.336	51%	0.512	S	S	.	.			trans	-35.4	128.2	-165.6	167.4	0	0	0	0	112.5	E136 E140 T141 L142	E136-S138 PolarHBondContact O-N 3.13Å; S138-E140 PolarHBondContact O-N 3.03Å; S138-E140 WeakPolarHBondContact OG-CB 2.84Å; S138-E140 PolarHBondContact OG-N 2.6Å; S138-T141 PolarHBondContact O-N 3.04Å; S138-T141 PolarHBondContact O-OG1 3.28Å; S138-L142 PolarHBondContact O-N 3.06Å
139	P	68.4	Low	77.3	Confident	91 Å²	91	97.5 Å²	97.5	59%	0.591	51%	0.512	S	S	*	.	H	α-helix	trans	-53.5	-24.6	179.9	21.6	-33.1	0	0	0	112.4	T143	P139-T143 WeakPolarHBondContact O-CB 3.42Å; P139-T143 PolarHBondContact O-N 3.03Å; P139-T143 PolarHBondContact O-OG1 3.21Å
140	E	74.3	Confident	77.7	Confident	139 Å²	139	95.4 Å²	95.4	65%	0.65	50%	0.5	S	S	*	.	H	α-helix	trans	-68.8	-39.9	173.5	-55.9	-174.6	161.7	0	0	113	S138 T143 N144	S138-E140 PolarHBondContact O-N 3.03Å; S138-E140 WeakPolarHBondContact OG-CB 2.84Å; S138-E140 PolarHBondContact OG-N 2.6Å; E140-T143 PolarHBondContact O-N 3.47Å; E140-N144 VanDerWaalsContact O-CB 3.32Å; E140-N144 WeakPolarHBondContact O-CB 3.29Å; E140-N144 PolarHBondContact O-N 2.91Å; E140-N144 PolarHBondContact O-ND2 3.35Å
141	T	79.5	Confident	78.2	Confident	74 Å²	74	92.6 Å²	92.6	45%	0.454	49%	0.488	S	S	.	.	H	α-helix	trans	-67.8	-42.8	178.7	63.8	0	0	0	0	110.9	S138 T143 N144 L145	S138-T141 PolarHBondContact O-N 3.04Å; S138-T141 PolarHBondContact O-OG1 3.28Å; T141-T143 VanDerWaalsContact C-N 3.32Å; T141-T143 PolarHBondContact O-N 3.17Å; T141-N144 PolarHBondContact O-N 3.43Å; T141-L145 WeakPolarHBondContact O-CB 3.49Å; T141-L145 VanDerWaalsContact O-CG 3.28Å; T141-L145 WeakPolarHBondContact O-CG 3.5Å; T141-L145 PolarHBondContact O-N 2.75Å
142	L	79.1	Confident	78.8	Confident	122 Å²	122	93.5 Å²	93.5	64%	0.639	49%	0.491	S	S	*	.	H	α-helix	trans	-62.5	-40.5	174	-175.8	65.6	0	0	0	111.5	S138 L145 R146	S138-L142 PolarHBondContact O-N 3.06Å; L142-L145 PolarHBondContact O-N 3.49Å; L142-R146 WeakPolarHBondContact O-CB 3.38Å; L142-R146 PolarHBondContact O-N 2.9Å
143	T	82.4	Confident	79.6	Confident	67 Å²	67	88 Å²	88	41%	0.411	47%	0.471	S	S	.	.	H	α-helix	trans	-64.6	-41.6	176.2	-59.6	0	0	0	0	111.4	P139 E140 T141 R146 K147	P139-T143 WeakPolarHBondContact O-CB 3.42Å; P139-T143 PolarHBondContact O-N 3.03Å; P139-T143 PolarHBondContact O-OG1 3.21Å; E140-T143 PolarHBondContact O-N 3.47Å; T141-T143 VanDerWaalsContact C-N 3.32Å; T141-T143 PolarHBondContact O-N 3.17Å; T143-R146 PolarHBondContact O-N 2.87Å; T143-K147 WeakPolarHBondContact O-CG 3.39Å; T143-K147 PolarHBondContact O-N 3.11Å
144	N	85.7	Confident	80.9	Confident	101 Å²	101	82.9 Å²	82.9	54%	0.54	44%	0.444	S	S	.	.	H	α-helix	trans	-67.5	-40.5	177.2	-71	-20.8	0	0	0	112	E140 T141 K147 G148	E140-N144 VanDerWaalsContact O-CB 3.32Å; E140-N144 WeakPolarHBondContact O-CB 3.29Å; E140-N144 PolarHBondContact O-N 2.91Å; E140-N144 PolarHBondContact O-ND2 3.35Å; T141-N144 PolarHBondContact O-N 3.43Å; N144-K147 PolarHBondContact O-N 3.01Å; N144-G148 PolarHBondContact O-N 3.06Å
145	L	87.3	Confident	82.1	Confident	125 Å²	125	77.8 Å²	77.8	65%	0.654	42%	0.422	S	S	*	.	H	α-helix	trans	-62.5	-43.7	173.2	-72.7	171.5	0	0	0	111.4	T141 L142 G148 Y149	T141-L145 WeakPolarHBondContact O-CB 3.49Å; T141-L145 VanDerWaalsContact O-CG 3.28Å; T141-L145 WeakPolarHBondContact O-CG 3.5Å; T141-L145 PolarHBondContact O-N 2.75Å; L142-L145 PolarHBondContact O-N 3.49Å; L145-G148 PolarHBondContact O-N 2.98Å; L145-Y149 WeakPolarHBondContact O-CB 3.23Å; L145-Y149 PolarHBondContact O-N 3.1Å
146	R	87.7	Confident	83.6	Confident	110 Å²	110	76.1 Å²	76.1	42%	0.415	41%	0.407	S	S	.	.	H	α-helix	trans	-59.9	-46.6	174.1	176.4	179	173.6	-177.9	0.2	111.6	L142 T143 L150 G208 V209	L142-R146 WeakPolarHBondContact O-CB 3.38Å; L142-R146 PolarHBondContact O-N 2.9Å; T143-R146 PolarHBondContact O-N 2.87Å; R146-L150 HydrophobicContact CG-CD1 4.11Å; R146-L150 WeakPolarHBondContact O-CB 3.29Å; R146-L150 WeakPolarHBondContact O-CG 3.3Å; R146-L150 PolarHBondContact O-N 3.43Å; R146-G208 PolarHBondContact NH2-O 3.35Å; R146-G208 VanDerWaalsContact NH2-O 3.12Å; R146-V209 HydrophobicContact CG-CG1 4.02Å; R146-V209 PolarHBondContact NE-O 2.98Å; R146-V209 PolarHBondContact NH2-O 3.43Å
147	K	89.2	Confident	85.3	Confident	67 Å²	67	69.2 Å²	69.2	29%	0.291	38%	0.375	S	S	.	.	H	α-helix	trans	-61.5	-45.1	176.5	-77.1	-175.5	174.8	-170.8	0	111.4	T143 N144 L150 F151 D268	T143-K147 WeakPolarHBondContact O-CG 3.39Å; T143-K147 PolarHBondContact O-N 3.11Å; N144-K147 PolarHBondContact O-N 3.01Å; K147-L150 PolarHBondContact O-N 3.03Å; K147-F151 VanDerWaalsContact O-CB 3.31Å; K147-F151 WeakPolarHBondContact O-CB 3.38Å; K147-F151 PolarHBondContact O-N 3.25Å; K147-D268 IonicContact NZ-OD1 3.23Å; K147-D268 PolarHBondContact NZ-OD1 3.21Å; K147-D268 IonicContact NZ-OD2 3.54Å; K147-D268 PolarHBondContact NZ-OD2 3.34Å
148	G	90.7	Very high	87	Confident	34 Å²	34	69.3 Å²	69.3	35%	0.351	36%	0.362	S	S	.	.	H	α-helix	trans	-62.8	-45	178.1	0	0	0	0	0	113	N144 L145 F151 M152	N144-G148 PolarHBondContact O-N 3.06Å; L145-G148 PolarHBondContact O-N 2.98Å; G148-F151 PolarHBondContact O-N 3.24Å; G148-M152 WeakPolarHBondContact O-CG 3.43Å; G148-M152 PolarHBondContact O-N 3.07Å
149	Y	92.5	Very high	88.6	Confident	104 Å²	104	71.8 Å²	71.8	41%	0.408	37%	0.371	S	S	.	.	H	α-helix	trans	-59	-50.4	174	164	-100.6	0	0	0	111.9	L145 F151 M152 Y153 V200 N204	L145-Y149 WeakPolarHBondContact O-CB 3.23Å; L145-Y149 PolarHBondContact O-N 3.1Å; Y149-F151 VanDerWaalsContact C-N 3.29Å; Y149-F151 PolarHBondContact O-N 3.29Å; Y149-M152 PolarHBondContact O-N 2.96Å; Y149-Y153 WeakPolarHBondContact O-CB 3.49Å; Y149-Y153 PolarHBondContact O-N 3.46Å; Y149-V200 WeakPolarHBondContact OH-CG1 3.39Å; Y149-N204 WeakPolarHBondContact CE1-ND2 3.18Å; Y149-N204 PolarHBondContact OH-ND2 3.47Å; Y149-N204 PolarHBondContact OH-OD1 3.39Å
150	L	91.6	Very high	89.9	Confident	23 Å²	23	67.7 Å²	67.7	12%	0.12	34%	0.344	C	S	.	.	H	α-helix	trans	-62.8	-38.1	178.6	-72.8	172.8	0	0	0	111.5	R146 K147 N154 V209 T210	R146-L150 HydrophobicContact CG-CD1 4.11Å; R146-L150 WeakPolarHBondContact O-CB 3.29Å; R146-L150 WeakPolarHBondContact O-CG 3.3Å; R146-L150 PolarHBondContact O-N 3.43Å; K147-L150 PolarHBondContact O-N 3.03Å; L150-N154 WeakPolarHBondContact O-CB 3.33Å; L150-N154 VanDerWaalsContact O-CG 3.31Å; L150-N154 PolarHBondContact O-N 3.46Å; L150-N154 PolarHBondContact O-ND2 2.88Å; L150-V209 HydrophobicContact CD1-CG1 4.34Å; L150-V209 HydrophobicContact CD2-CG1 4.25Å; L150-V209 HydrophobicContact CG-CG1 4.43Å; L150-T210 HydrophobicContact CD1-CG2 4.44Å; L150-T210 HydrophobicContact CD2-CG2 3.9Å
151	F	93.6	Very high	91	Very high	56 Å²	56	61.1 Å²	61.1	25%	0.246	31%	0.314	C	S	.	.	H	α-helix	trans	-61.6	-50.7	175.8	179.1	-96.6	0	0	0	111.6	K147 G148 Y149 Y153 N154 L155 M263 C266 I267	K147-F151 VanDerWaalsContact O-CB 3.31Å; K147-F151 WeakPolarHBondContact O-CB 3.38Å; K147-F151 PolarHBondContact O-N 3.25Å; G148-F151 PolarHBondContact O-N 3.24Å; Y149-F151 VanDerWaalsContact C-N 3.29Å; Y149-F151 PolarHBondContact O-N 3.29Å; F151-Y153 VanDerWaalsContact C-N 3.34Å; F151-Y153 PolarHBondContact O-N 2.99Å; F151-N154 PolarHBondContact O-N 3.39Å; F151-L155 HydrophobicContact CE1-CD2 4.35Å; F151-L155 WeakPolarHBondContact O-CB 3.4Å; F151-L155 PolarHBondContact O-N 2.81Å; F151-M263 HydrophobicContact CD2-CB 4.19Å; F151-M263 HydrophobicContact CD2-CG 4.48Å; F151-M263 HydrophobicContact CE2-CB 4.02Å; F151-M263 HydrophobicContact CE2-CE 3.84Å; F151-M263 HydrophobicContact CE2-CG 4.39Å; F151-M263 HydrophobicContact CZ-CE 3.93Å; F151-C266 HydrophobicContact CB-CB 4.07Å; F151-C266 HydrophobicContact CD2-CB 4.31Å; F151-I267 HydrophobicContact CD2-CD1 3.91Å; F151-I267 HydrophobicContact CD2-CG1 4.01Å; F151-I267 HydrophobicContact CE2-CD1 3.34Å; F151-I267 HydrophobicContact CE2-CG1 3.97Å; F151-I267 HydrophobicContact CZ-CD1 4.04Å
152	M	93.3	Very high	91.8	Very high	108 Å²	108	59.2 Å²	59.2	53%	0.532	30%	0.304	S	S	.	.	H	α-helix	trans	-61.7	-41.9	178.7	-72.3	-59.2	-66.9	0	0	112.1	G148 Y149 L155 V156	G148-M152 WeakPolarHBondContact O-CG 3.43Å; G148-M152 PolarHBondContact O-N 3.07Å; Y149-M152 PolarHBondContact O-N 2.96Å; M152-L155 WeakPolarHBondContact O-CB 3.48Å; M152-L155 PolarHBondContact O-N 3.38Å; M152-L155 HydrophobicContact SD-CD2 4.24Å; M152-V156 WeakPolarHBondContact O-CG2 3.29Å; M152-V156 PolarHBondContact O-N 2.72Å
153	Y	93.4	Very high	92.6	Very high	21 Å²	21	58.7 Å²	58.7	8%	0.082	29%	0.293	C	S	.	.	H	α-helix	trans	-57.9	-51.9	174.8	173	-95.5	0	0	0	111.8	Y149 F151 L155 V156 Q157 L197 V200 E201 Y259	Y149-Y153 WeakPolarHBondContact O-CB 3.49Å; Y149-Y153 PolarHBondContact O-N 3.46Å; F151-Y153 VanDerWaalsContact C-N 3.34Å; F151-Y153 PolarHBondContact O-N 2.99Å; Y153-L155 VanDerWaalsContact C-N 3.27Å; Y153-L155 PolarHBondContact O-N 3.47Å; Y153-V156 PolarHBondContact O-N 3.26Å; Y153-Q157 HydrophobicContact CE1-CG 4.04Å; Y153-Q157 HydrophobicContact CE2-CG 4.27Å; Y153-Q157 PolarHBondContact O-N 3.47Å; Y153-Q157 VanDerWaalsContact O-N 3.11Å; Y153-Q157 PolarHBondContact OH-NE2 3.43Å; Y153-L197 HydrophobicContact CE2-CB 4.38Å; Y153-L197 WeakPolarHBondContact CE2-O 3.28Å; Y153-L197 PolarHBondContact OH-O 3.21Å; Y153-V200 HydrophobicContact CD2-CG1 4.43Å; Y153-V200 HydrophobicContact CE2-CB 3.95Å; Y153-V200 HydrophobicContact CE2-CG1 4.19Å; Y153-E201 HydrophobicContact CE1-CB 4.41Å; Y153-Y259 HydrophobicContact CE1-CE1 4.29Å
154	N	94	Very high	93.2	Very high	10 Å²	10	55.5 Å²	55.5	5%	0.053	27%	0.274	C	S	.	.	H	α-helix	trans	-66.1	-32.1	-179.5	-69.9	-57.8	0	0	0	111.7	L150 F151 F158 Y259 M263	L150-N154 WeakPolarHBondContact O-CB 3.33Å; L150-N154 VanDerWaalsContact O-CG 3.31Å; L150-N154 PolarHBondContact O-N 3.46Å; L150-N154 PolarHBondContact O-ND2 2.88Å; F151-N154 PolarHBondContact O-N 3.39Å; N154-F158 VanDerWaalsContact O-CB 3.25Å; N154-F158 WeakPolarHBondContact O-CB 3.42Å; N154-F158 PolarHBondContact O-N 3.38Å; N154-Y259 HydrophobicContact CB-CD1 4.42Å; N154-Y259 WeakPolarHBondContact OD1-CD1 3.28Å; N154-M263 HydrophobicContact CB-CG 3.49Å; N154-M263 VanDerWaalsContact CB-CG 3.49Å
155	L	94.6	Very high	93.7	Very high	46 Å²	46	53.3 Å²	53.3	24%	0.241	26%	0.259	C	S	.	.	H	α-helix	trans	-63.5	-48.3	174.5	175.9	64.6	0	0	0	111.7	F151 M152 Y153 Q157 F158 L159 M263	F151-L155 HydrophobicContact CE1-CD2 4.35Å; F151-L155 WeakPolarHBondContact O-CB 3.4Å; F151-L155 PolarHBondContact O-N 2.81Å; M152-L155 WeakPolarHBondContact O-CB 3.48Å; M152-L155 PolarHBondContact O-N 3.38Å; M152-L155 HydrophobicContact SD-CD2 4.24Å; Y153-L155 VanDerWaalsContact C-N 3.27Å; Y153-L155 PolarHBondContact O-N 3.47Å; L155-Q157 VanDerWaalsContact C-N 3.32Å; L155-Q157 PolarHBondContact O-N 3.45Å; L155-F158 PolarHBondContact O-N 2.99Å; L155-L159 HydrophobicContact CD1-CD1 4.15Å; L155-L159 HydrophobicContact CD1-CG 4.19Å; L155-L159 HydrophobicContact CG-CD1 4.16Å; L155-L159 VanDerWaalsContact O-CG 3.31Å; L155-L159 WeakPolarHBondContact O-CG 3.44Å; L155-L159 PolarHBondContact O-N 2.84Å; L155-M263 HydrophobicContact CB-CE 3.95Å; L155-M263 HydrophobicContact CB-SD 4.29Å; L155-M263 HydrophobicContact CD1-CE 3.51Å; L155-M263 HydrophobicContact CD1-SD 4.37Å; L155-M263 HydrophobicContact CG-CE 4.31Å
156	V	95.8	Very high	94	Very high	58 Å²	58	51 Å²	51	35%	0.352	25%	0.25	S	S	.	.	H	α-helix	trans	-60.9	-44.5	178.1	172.2	0	0	0	0	110.7	M152 Y153 L159 G160 F193 L197	M152-V156 WeakPolarHBondContact O-CG2 3.29Å; M152-V156 PolarHBondContact O-N 2.72Å; Y153-V156 PolarHBondContact O-N 3.26Å; V156-L159 PolarHBondContact O-N 3.49Å; V156-G160 PolarHBondContact O-N 3.11Å; V156-F193 HydrophobicContact CG1-CE1 4.08Å; V156-F193 HydrophobicContact CG1-CZ 4.46Å; V156-L197 HydrophobicContact CG1-CD1 3.79Å
157	Q	95.7	Very high	94.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.6	-44.9	176.4	-74.1	-72.3	17.9	0	0	112.3	Y153 L155 L159 G160 F161 C194 Y259	Y153-Q157 HydrophobicContact CE1-CG 4.04Å; Y153-Q157 HydrophobicContact CE2-CG 4.27Å; Y153-Q157 PolarHBondContact O-N 3.47Å; Y153-Q157 VanDerWaalsContact O-N 3.11Å; Y153-Q157 PolarHBondContact OH-NE2 3.43Å; L155-Q157 VanDerWaalsContact C-N 3.32Å; L155-Q157 PolarHBondContact O-N 3.45Å; Q157-L159 PolarHBondContact O-N 2.94Å; Q157-G160 PolarHBondContact O-N 2.95Å; Q157-F161 VanDerWaalsContact O-CD2 3.29Å; Q157-F161 WeakPolarHBondContact O-CD2 3.36Å; Q157-F161 PolarHBondContact O-N 3.42Å; Q157-C194 PolarHBondContact NE2-O 3.39Å; Q157-C194 PolarHBondContact OE1-O 2.93Å; Q157-Y259 HydrophobicContact CB-CD1 3.64Å; Q157-Y259 HydrophobicContact CB-CD2 3.71Å; Q157-Y259 HydrophobicContact CB-CE1 3.62Å; Q157-Y259 HydrophobicContact CB-CE2 3.69Å; Q157-Y259 HydrophobicContact CB-CG 3.69Å; Q157-Y259 HydrophobicContact CG-CD1 4.26Å; Q157-Y259 HydrophobicContact CG-CE1 3.77Å; Q157-Y259 HydrophobicContact CG-CE2 4.24Å
158	F	95.7	Very high	94.5	Very high	52 Å²	52	44.4 Å²	44.4	23%	0.228	23%	0.227	C	C	.	.	H	α-helix	trans	-58.6	-47	176.1	170.5	-103.5	0	0	0	111.9	N154 L155 S162 I256 S260 M263	N154-F158 VanDerWaalsContact O-CB 3.25Å; N154-F158 WeakPolarHBondContact O-CB 3.42Å; N154-F158 PolarHBondContact O-N 3.38Å; L155-F158 PolarHBondContact O-N 2.99Å; F158-S162 WeakPolarHBondContact O-CB 3.49Å; F158-S162 PolarHBondContact O-N 3.23Å; F158-I256 HydrophobicContact CD2-CG2 4.37Å; F158-I256 HydrophobicContact CE2-CG2 3.85Å; F158-S260 WeakPolarHBondContact CD2-OG 3.38Å; F158-S260 WeakPolarHBondContact CE2-OG 3.4Å; F158-M263 HydrophobicContact CB-SD 3.83Å; F158-M263 HydrophobicContact CD1-SD 4.33Å; F158-M263 HydrophobicContact CG-SD 4.13Å
159	L	96.5	Very high	94.6	Very high	100 Å²	100	44.9 Å²	44.9	52%	0.524	22%	0.223	S	C	.	.	H	α-helix	trans	-62.6	-43.3	178.5	-70.8	175	0	0	0	111.9	L155 V156 Q157 S162 W163	L155-L159 HydrophobicContact CD1-CD1 4.15Å; L155-L159 HydrophobicContact CD1-CG 4.19Å; L155-L159 HydrophobicContact CG-CD1 4.16Å; L155-L159 VanDerWaalsContact O-CG 3.31Å; L155-L159 WeakPolarHBondContact O-CG 3.44Å; L155-L159 PolarHBondContact O-N 2.84Å; V156-L159 PolarHBondContact O-N 3.49Å; Q157-L159 PolarHBondContact O-N 2.94Å; L159-S162 PolarHBondContact O-N 2.97Å; L159-W163 WeakPolarHBondContact O-CB 3.48Å; L159-W163 PolarHBondContact O-N 3.49Å
160	G	96.1	Very high	94.6	Very high	4 Å²	4	43.3 Å²	43.3	4%	0.041	22%	0.223	C	C	.	.	H	α-helix	trans	-60.6	-53.7	177.4	0	0	0	0	0	112.3	V156 Q157 S162 W163 I164	V156-G160 PolarHBondContact O-N 3.11Å; Q157-G160 PolarHBondContact O-N 2.95Å; G160-S162 PolarHBondContact O-N 3.37Å; G160-W163 PolarHBondContact O-N 3.05Å; G160-I164 VanDerWaalsContact O-CG1 3.29Å; G160-I164 WeakPolarHBondContact O-CG1 3.48Å; G160-I164 PolarHBondContact O-N 3.03Å
161	F	96.1	Very high	94.5	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	23%	0.229	C	C	.	.	H	α-helix	trans	-68	-33.7	179.1	-76.1	-67.7	0	0	0	113.3	Q157 I164 F165 M191 C194 E255 I256 Y259	Q157-F161 VanDerWaalsContact O-CD2 3.29Å; Q157-F161 WeakPolarHBondContact O-CD2 3.36Å; Q157-F161 PolarHBondContact O-N 3.42Å; F161-I164 HydrophobicContact CD1-CD1 4.1Å; F161-I164 HydrophobicContact CE1-CD1 4.46Å; F161-I164 PolarHBondContact O-N 3.13Å; F161-F165 WeakPolarHBondContact O-CB 3.3Å; F161-F165 PolarHBondContact O-N 3.23Å; F161-M191 HydrophobicContact CE1-CE 4.44Å; F161-M191 HydrophobicContact CE1-SD 4.01Å; F161-C194 HydrophobicContact CD2-CB 4.42Å; F161-C194 HydrophobicContact CE1-CB 4.23Å; F161-C194 HydrophobicContact CE2-CB 3.78Å; F161-C194 HydrophobicContact CZ-CB 3.68Å; F161-E255 HydrophobicContact CB-CB 4.06Å; F161-E255 HydrophobicContact CD1-CB 3.84Å; F161-E255 HydrophobicContact CD1-CG 4.12Å; F161-E255 HydrophobicContact CD2-CB 3.57Å; F161-E255 HydrophobicContact CD2-CG 4.12Å; F161-E255 HydrophobicContact CE1-CB 4.14Å; F161-E255 HydrophobicContact CE1-CG 3.9Å; F161-E255 HydrophobicContact CE2-CB 3.9Å; F161-E255 HydrophobicContact CE2-CG 3.92Å; F161-E255 HydrophobicContact CG-CB 3.53Å; F161-E255 HydrophobicContact CG-CG 4.22Å; F161-E255 HydrophobicContact CZ-CB 4.17Å; F161-E255 HydrophobicContact CZ-CG 3.8Å; F161-I256 HydrophobicContact CB-CG1 4.12Å; F161-Y259 AromaticContact CD2-CD2 3.87Å; F161-Y259 HydrophobicContact CD2-CD2 3.87Å; F161-Y259 AromaticContact CD2-CE2 3.57Å; F161-Y259 HydrophobicContact CD2-CE2 3.57Å; F161-Y259 HydrophobicContact CE2-CD2 4.28Å; F161-Y259 AromaticContact CE2-CE2 3.51Å; F161-Y259 HydrophobicContact CE2-CE2 3.51Å
162	S	96.2	Very high	94.3	Very high	35 Å²	35	47.2 Å²	47.2	25%	0.245	24%	0.238	C	C	.	.	H	α-helix	trans	-63.2	-44	173	-176.3	0	0	0	0	111.1	F158 L159 G160 F165 V166	F158-S162 WeakPolarHBondContact O-CB 3.49Å; F158-S162 PolarHBondContact O-N 3.23Å; L159-S162 PolarHBondContact O-N 2.97Å; G160-S162 PolarHBondContact O-N 3.37Å; S162-F165 PolarHBondContact O-N 3.3Å; S162-V166 WeakPolarHBondContact O-CB 3.48Å; S162-V166 VanDerWaalsContact O-CG2 3.28Å; S162-V166 WeakPolarHBondContact O-CG2 3.19Å; S162-V166 PolarHBondContact O-N 2.67Å
163	W	96	Very high	94.2	Very high	111 Å²	111	46.9 Å²	46.9	42%	0.42	25%	0.245	S	C	.	.	H	α-helix	trans	-60.9	-47.8	175.4	-178.3	89.5	0	0	0	111.5	L159 G160 F165 V166 N167 V187 M190	L159-W163 WeakPolarHBondContact O-CB 3.48Å; L159-W163 PolarHBondContact O-N 3.49Å; G160-W163 PolarHBondContact O-N 3.05Å; W163-F165 PolarHBondContact O-N 2.78Å; W163-V166 PolarHBondContact O-N 3.3Å; W163-N167 WeakPolarHBondContact O-CB 3.35Å; W163-N167 PolarHBondContact O-N 2.94Å; W163-V187 HydrophobicContact CZ3-CG1 4.17Å; W163-M190 HydrophobicContact CB-CE 4.42Å; W163-M190 HydrophobicContact CD2-CE 4.19Å; W163-M190 HydrophobicContact CE3-CB 3.86Å; W163-M190 HydrophobicContact CE3-CE 4.1Å; W163-M190 HydrophobicContact CE3-CG 3.75Å; W163-M190 HydrophobicContact CG-CE 4.34Å; W163-M190 HydrophobicContact CZ3-CB 3.61Å; W163-M190 HydrophobicContact CZ3-CG 4.06Å
164	I	95.4	Very high	94	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-53.8	-53.2	175.6	-69.4	171.1	0	0	0	110.3	G160 F161 N167 L168 V187 M190 M191	G160-I164 VanDerWaalsContact O-CG1 3.29Å; G160-I164 WeakPolarHBondContact O-CG1 3.48Å; G160-I164 PolarHBondContact O-N 3.03Å; F161-I164 HydrophobicContact CD1-CD1 4.1Å; F161-I164 HydrophobicContact CE1-CD1 4.46Å; F161-I164 PolarHBondContact O-N 3.13Å; I164-N167 PolarHBondContact O-N 2.9Å; I164-L168 HydrophobicContact CG2-CD1 4.02Å; I164-L168 WeakPolarHBondContact O-CB 3.36Å; I164-L168 VanDerWaalsContact O-CG 3.26Å; I164-L168 WeakPolarHBondContact O-CG 3.26Å; I164-L168 PolarHBondContact O-N 3.06Å; I164-V187 HydrophobicContact CB-CG1 3.91Å; I164-V187 HydrophobicContact CD1-CG1 4.47Å; I164-V187 HydrophobicContact CG1-CG1 3.62Å; I164-V187 HydrophobicContact CG2-CG1 3.65Å; I164-M190 HydrophobicContact CD1-CB 4.31Å; I164-M190 HydrophobicContact CD1-CG 3.89Å; I164-M190 HydrophobicContact CG1-CB 4.13Å; I164-M190 HydrophobicContact CG1-CG 3.76Å; I164-M191 HydrophobicContact CD1-CB 4.31Å; I164-M191 HydrophobicContact CD1-CE 3.92Å; I164-M191 HydrophobicContact CD1-SD 4.26Å; I164-M191 HydrophobicContact CG2-CE 4.01Å
165	F	95.6	Very high	93.6	Very high	55 Å²	55	55.5 Å²	55.5	24%	0.241	29%	0.291	C	S	.	.	H	α-helix	trans	-64	-45	-175.8	-178.1	-97.2	0	0	0	112.9	F161 S162 W163 T169 Y249 A253 I256	F161-F165 WeakPolarHBondContact O-CB 3.3Å; F161-F165 PolarHBondContact O-N 3.23Å; S162-F165 PolarHBondContact O-N 3.3Å; W163-F165 PolarHBondContact O-N 2.78Å; F165-T169 WeakPolarHBondContact O-CB 3.23Å; F165-T169 PolarHBondContact O-N 3.43Å; F165-T169 PolarHBondContact O-OG1 2.94Å; F165-Y249 HydrophobicContact CD2-CD2 4.22Å; F165-Y249 AromaticContact CD2-CE2 3.86Å; F165-Y249 HydrophobicContact CD2-CE2 3.86Å; F165-Y249 HydrophobicContact CE2-CD2 4.22Å; F165-Y249 AromaticContact CE2-CE1 3.9Å; F165-Y249 HydrophobicContact CE2-CE1 3.9Å; F165-Y249 AromaticContact CE2-CE2 3.52Å; F165-Y249 HydrophobicContact CE2-CE2 3.52Å; F165-Y249 AromaticContact CE2-CZ 3.33Å; F165-Y249 WeakPolarHBondContact CE2-OH 3.36Å; F165-Y249 HydrophobicContact CZ-CE2 4.13Å; F165-Y249 AromaticContact CZ-CZ 3.83Å; F165-Y249 WeakPolarHBondContact CZ-OH 3.37Å; F165-A253 HydrophobicContact CD2-CB 4.09Å; F165-A253 HydrophobicContact CE2-CB 3.8Å; F165-I256 HydrophobicContact CB-CD1 3.33Å; F165-I256 HydrophobicContact CD1-CD1 3.89Å; F165-I256 HydrophobicContact CD2-CD1 4.17Å; F165-I256 HydrophobicContact CG-CD1 3.54Å
166	V	95.1	Very high	93.2	Very high	76 Å²	76	54.6 Å²	54.6	46%	0.461	29%	0.293	S	S	.	.	H	α-helix	trans	-65.1	-44.4	178.3	172.1	0	0	0	0	110.3	S162 W163 L168 T169 V170	S162-V166 WeakPolarHBondContact O-CB 3.48Å; S162-V166 VanDerWaalsContact O-CG2 3.28Å; S162-V166 WeakPolarHBondContact O-CG2 3.19Å; S162-V166 PolarHBondContact O-N 2.67Å; W163-V166 PolarHBondContact O-N 3.3Å; V166-L168 PolarHBondContact O-N 2.94Å; V166-T169 PolarHBondContact O-N 3.18Å; V166-V170 HydrophobicContact CG1-CG2 4.14Å; V166-V170 WeakPolarHBondContact O-CB 3.5Å; V166-V170 VanDerWaalsContact O-CG2 3.29Å; V166-V170 WeakPolarHBondContact O-CG2 3.48Å; V166-V170 PolarHBondContact O-N 3.37Å
167	N	93.3	Very high	92.5	Very high	38 Å²	38	59.8 Å²	59.8	20%	0.203	31%	0.311	C	S	.	.	H	α-helix	trans	-60.5	-47.1	179.8	-160.5	-70.6	0	0	0	111.3	W163 I164 T169 V170 R171	W163-N167 WeakPolarHBondContact O-CB 3.35Å; W163-N167 PolarHBondContact O-N 2.94Å; I164-N167 PolarHBondContact O-N 2.9Å; N167-T169 PolarHBondContact O-N 2.68Å; N167-V170 PolarHBondContact O-N 3.08Å; N167-R171 WeakPolarHBondContact O-CB 3.25Å; N167-R171 VanDerWaalsContact O-CG 3.3Å; N167-R171 WeakPolarHBondContact O-CG 3.32Å; N167-R171 PolarHBondContact O-N 3.24Å; N167-R171 WeakPolarHBondContact OD1-CD 3.07Å; N167-R171 PolarHBondContact OD1-NE 2.74Å
168	L	92.6	Very high	91.6	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-62.9	-41.9	176.4	-67.8	178.9	0	0	0	112.4	I164 V166 F172 T183 V187 F245 F248 Y249	I164-L168 HydrophobicContact CG2-CD1 4.02Å; I164-L168 WeakPolarHBondContact O-CB 3.36Å; I164-L168 VanDerWaalsContact O-CG 3.26Å; I164-L168 WeakPolarHBondContact O-CG 3.26Å; I164-L168 PolarHBondContact O-N 3.06Å; V166-L168 PolarHBondContact O-N 2.94Å; L168-F172 VanDerWaalsContact O-CB 3.27Å; L168-F172 WeakPolarHBondContact O-CB 3.35Å; L168-F172 PolarHBondContact O-N 2.85Å; L168-T183 HydrophobicContact CD2-CG2 3.45Å; L168-T183 VanDerWaalsContact CD2-CG2 3.45Å; L168-V187 HydrophobicContact CD2-CG2 3.86Å; L168-V187 HydrophobicContact CG-CG2 4.37Å; L168-F245 HydrophobicContact CB-CE2 3.96Å; L168-F245 HydrophobicContact CD2-CD2 4.02Å; L168-F245 HydrophobicContact CD2-CE2 4.2Å; L168-F248 HydrophobicContact CD1-CB 3.91Å; L168-Y249 HydrophobicContact CB-CD2 4.18Å
169	T	93.1	Very high	90.9	Very high	44 Å²	44	63.7 Å²	63.7	27%	0.27	33%	0.33	S	S	.	.	H	α-helix	trans	-64.7	-47.5	178.9	-56.1	0	0	0	0	111.3	F165 V166 N167 F172 C173	F165-T169 WeakPolarHBondContact O-CB 3.23Å; F165-T169 PolarHBondContact O-N 3.43Å; F165-T169 PolarHBondContact O-OG1 2.94Å; V166-T169 PolarHBondContact O-N 3.18Å; N167-T169 PolarHBondContact O-N 2.68Å; T169-F172 PolarHBondContact O-N 2.95Å; T169-C173 PolarHBondContact O-N 3.32Å; T169-C173 PolarHBondContact O-SG 3.44Å
170	V	92.5	Very high	90.3	Very high	70 Å²	70	60.3 Å²	60.3	42%	0.424	31%	0.311	S	S	.	.	H	α-helix	trans	-63.7	-45.5	179.9	170.3	0	0	0	0	110.9	V166 N167 F172 C173 I174	V166-V170 HydrophobicContact CG1-CG2 4.14Å; V166-V170 WeakPolarHBondContact O-CB 3.5Å; V166-V170 VanDerWaalsContact O-CG2 3.29Å; V166-V170 WeakPolarHBondContact O-CG2 3.48Å; V166-V170 PolarHBondContact O-N 3.37Å; N167-V170 PolarHBondContact O-N 3.08Å; V170-F172 VanDerWaalsContact C-N 3.34Å; V170-F172 PolarHBondContact O-N 3.42Å; V170-C173 PolarHBondContact O-N 2.8Å; V170-I174 HydrophobicContact CG1-CD1 3.6Å; V170-I174 HydrophobicContact CG1-CG1 4.41Å; V170-I174 WeakPolarHBondContact O-CG1 3.2Å; V170-I174 PolarHBondContact O-N 3.42Å
171	R	89.3	Confident	89.5	Confident	65 Å²	65	66.1 Å²	66.1	25%	0.245	33%	0.333	C	S	.	.	H	α-helix	trans	-62.7	-41.1	177.6	-75.7	176.9	174.3	-98.2	2.4	112.3	N167 C173 I174 L175 D182 T186	N167-R171 WeakPolarHBondContact O-CB 3.25Å; N167-R171 VanDerWaalsContact O-CG 3.3Å; N167-R171 WeakPolarHBondContact O-CG 3.32Å; N167-R171 PolarHBondContact O-N 3.24Å; N167-R171 WeakPolarHBondContact OD1-CD 3.07Å; N167-R171 PolarHBondContact OD1-NE 2.74Å; R171-C173 VanDerWaalsContact C-N 3.33Å; R171-C173 PolarHBondContact O-N 3.22Å; R171-I174 PolarHBondContact O-N 3.05Å; R171-L175 WeakPolarHBondContact O-CB 3.41Å; R171-L175 PolarHBondContact O-N 3.45Å; R171-D182 IonicContact CZ-OD2 3.18Å; R171-D182 IonicContact NH1-OD2 2.94Å; R171-D182 PolarHBondContact NH1-OD2 3.11Å; R171-T186 VanDerWaalsContact CZ-CG2 3.47Å
172	F	90.7	Very high	89	Confident	96 Å²	96	69 Å²	69	42%	0.421	35%	0.348	S	S	.	.	H	α-helix	trans	-61.5	-42	174.7	177.5	-106.6	0	0	0	111.7	L168 T169 V170 G176 F180 F245	L168-F172 VanDerWaalsContact O-CB 3.27Å; L168-F172 WeakPolarHBondContact O-CB 3.35Å; L168-F172 PolarHBondContact O-N 2.85Å; T169-F172 PolarHBondContact O-N 2.95Å; V170-F172 VanDerWaalsContact C-N 3.34Å; V170-F172 PolarHBondContact O-N 3.42Å; F172-G176 VanDerWaalsContact O-CA 3.28Å; F172-G176 WeakPolarHBondContact O-CA 3.23Å; F172-G176 PolarHBondContact O-N 3.41Å; F172-F180 AromaticContact CD2-CE1 3.73Å; F172-F180 HydrophobicContact CD2-CE1 3.73Å; F172-F180 HydrophobicContact CD2-CZ 4.03Å; F172-F180 AromaticContact CE2-CE1 3.9Å; F172-F180 HydrophobicContact CE2-CE1 3.9Å; F172-F180 AromaticContact CE2-CZ 3.72Å; F172-F180 HydrophobicContact CE2-CZ 3.72Å; F172-F245 HydrophobicContact CB-CE2 4.26Å; F172-F245 HydrophobicContact CB-CZ 4.06Å; F172-F245 HydrophobicContact CD2-CZ 4.29Å; F172-F245 HydrophobicContact CG-CZ 4.26Å
173	C	90.2	Very high	88.6	Confident	101 Å²	101	67.3 Å²	67.3	68%	0.682	34%	0.336	S	S	*	.	H	α-helix	trans	-67.4	-33.6	177.8	-69.6	0	0	0	0	113.6	T169 V170 R171	T169-C173 PolarHBondContact O-N 3.32Å; T169-C173 PolarHBondContact O-SG 3.44Å; V170-C173 PolarHBondContact O-N 2.8Å; R171-C173 VanDerWaalsContact C-N 3.33Å; R171-C173 PolarHBondContact O-N 3.22Å
174	I	89.2	Confident	88.3	Confident	131 Å²	131	62.7 Å²	62.7	67%	0.672	32%	0.319	S	S	*	.	H	α-helix	trans	-88.8	-48.9	-176.4	-63.3	171	0	0	0	112	V170 R171	V170-I174 HydrophobicContact CG1-CD1 3.6Å; V170-I174 HydrophobicContact CG1-CG1 4.41Å; V170-I174 WeakPolarHBondContact O-CG1 3.2Å; V170-I174 PolarHBondContact O-N 3.42Å; R171-I174 PolarHBondContact O-N 3.05Å
175	L	85.6	Confident	88	Confident	81 Å²	81	68 Å²	68	42%	0.424	34%	0.344	S	S	.	.	H	α-helix	trans	-97.2	-13	-172.4	-72.6	86.4	0	0	0	113.2	R171 K177 E178	R171-L175 WeakPolarHBondContact O-CB 3.41Å; R171-L175 PolarHBondContact O-N 3.45Å; L175-K177 PolarHBondContact O-N 2.89Å; L175-E178 HydrophobicContact CB-CB 4.42Å
176	G	86	Confident	87.6	Confident	28 Å²	28	67.1 Å²	67.1	29%	0.289	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	63	-127.6	-177.5	0	0	0	0	0	112.2	F172 E178 S179	F172-G176 VanDerWaalsContact O-CA 3.28Å; F172-G176 WeakPolarHBondContact O-CA 3.23Å; F172-G176 PolarHBondContact O-N 3.41Å; G176-E178 VanDerWaalsContact C-N 3.31Å; G176-E178 PolarHBondContact O-N 2.97Å; G176-S179 WeakPolarHBondContact O-CB 3.46Å; G176-S179 PolarHBondContact O-N 3.46Å; G176-S179 PolarHBondContact O-OG 3.35Å
177	K	80.8	Confident	87.5	Confident	166 Å²	166	63.5 Å²	63.5	72%	0.722	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-69.8	-25.2	-174.8	-67	-177.4	-178.3	176.5	0	113.9	L175 S179 F180	L175-K177 PolarHBondContact O-N 2.89Å; K177-S179 PolarHBondContact O-N 3.06Å; K177-F180 HydrophobicContact CB-CD2 4.37Å; K177-F180 HydrophobicContact CB-CE2 4.37Å; K177-F180 HydrophobicContact CG-CE2 4.24Å; K177-F180 WeakPolarHBondContact O-CB 3.38Å; K177-F180 WeakPolarHBondContact O-CD2 3.26Å; K177-F180 WeakPolarHBondContact O-CG 3.43Å; K177-F180 PolarHBondContact O-N 3.39Å
178	E	78.3	Confident	87.5	Confident	133 Å²	133	61.9 Å²	61.9	62%	0.621	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-65.4	-24.3	177.7	-63.6	-58.7	145.3	0	0	111.7	L175 G176 F180 Y181	L175-E178 HydrophobicContact CB-CB 4.42Å; G176-E178 VanDerWaalsContact C-N 3.31Å; G176-E178 PolarHBondContact O-N 2.97Å; E178-F180 PolarHBondContact O-N 3.41Å; E178-F180 VanDerWaalsContact O-N 3.16Å; E178-Y181 PolarHBondContact O-N 2.93Å
179	S	80.3	Confident	87.5	Confident	2 Å²	2	68.1 Å²	68.1	1%	0.014	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-62.8	-24.4	177.5	77.7	0	0	0	0	112.8	G176 K177 Y181 T183	G176-S179 WeakPolarHBondContact O-CB 3.46Å; G176-S179 PolarHBondContact O-N 3.46Å; G176-S179 PolarHBondContact O-OG 3.35Å; K177-S179 PolarHBondContact O-N 3.06Å; S179-Y181 VanDerWaalsContact C-N 3.33Å; S179-Y181 PolarHBondContact O-N 2.9Å; S179-T183 PolarHBondContact O-N 3.24Å; S179-T183 PolarHBondContact O-OG1 3.24Å
180	F	83.6	Confident	87.5	Confident	29 Å²	29	68.7 Å²	68.7	13%	0.127	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-66.8	-34.6	-176.6	-63.2	-26.7	0	0	0	112.9	F172 K177 E178 A242 F245	F172-F180 AromaticContact CD2-CE1 3.73Å; F172-F180 HydrophobicContact CD2-CE1 3.73Å; F172-F180 HydrophobicContact CD2-CZ 4.03Å; F172-F180 AromaticContact CE2-CE1 3.9Å; F172-F180 HydrophobicContact CE2-CE1 3.9Å; F172-F180 AromaticContact CE2-CZ 3.72Å; F172-F180 HydrophobicContact CE2-CZ 3.72Å; K177-F180 HydrophobicContact CB-CD2 4.37Å; K177-F180 HydrophobicContact CB-CE2 4.37Å; K177-F180 HydrophobicContact CG-CE2 4.24Å; K177-F180 WeakPolarHBondContact O-CB 3.38Å; K177-F180 WeakPolarHBondContact O-CD2 3.26Å; K177-F180 WeakPolarHBondContact O-CG 3.43Å; K177-F180 PolarHBondContact O-N 3.39Å; E178-F180 PolarHBondContact O-N 3.41Å; E178-F180 VanDerWaalsContact O-N 3.16Å; F180-A242 HydrophobicContact CB-CB 3.84Å; F180-A242 HydrophobicContact CD2-CB 4.01Å; F180-A242 HydrophobicContact CG-CB 4.06Å; F180-F245 HydrophobicContact CD1-CB 3.89Å; F180-F245 AromaticContact CD1-CD1 3.76Å; F180-F245 HydrophobicContact CD1-CD1 3.76Å; F180-F245 AromaticContact CD1-CD2 3.92Å; F180-F245 HydrophobicContact CD1-CD2 3.92Å; F180-F245 HydrophobicContact CD1-CE1 4.27Å; F180-F245 HydrophobicContact CD1-CE2 4.39Å; F180-F245 AromaticContact CD1-CG 3.57Å; F180-F245 HydrophobicContact CD1-CG 3.57Å; F180-F245 AromaticContact CE1-CD1 3.58Å; F180-F245 HydrophobicContact CE1-CD1 3.58Å; F180-F245 HydrophobicContact CE1-CD2 4.27Å; F180-F245 AromaticContact CE1-CE1 3.72Å; F180-F245 HydrophobicContact CE1-CE1 3.72Å; F180-F245 HydrophobicContact CE1-CE2 4.37Å; F180-F245 AromaticContact CE1-CG 3.89Å; F180-F245 HydrophobicContact CE1-CG 3.89Å; F180-F245 HydrophobicContact CE1-CZ 4.12Å
181	Y	80.1	Confident	87.7	Confident	126 Å²	126	65.4 Å²	65.4	49%	0.494	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-32.1	-175.7	-61.7	-89.7	0	0	0	111.7	E178 S179 N240	E178-Y181 PolarHBondContact O-N 2.93Å; S179-Y181 VanDerWaalsContact C-N 3.33Å; S179-Y181 PolarHBondContact O-N 2.9Å; Y181-N240 HydrophobicContact CD1-CB 4.47Å; Y181-N240 WeakPolarHBondContact CD1-O 3.48Å; Y181-N240 VanDerWaalsContact CE1-O 3.28Å; Y181-N240 WeakPolarHBondContact CE1-O 3.07Å
182	D	85.3	Confident	87.9	Confident	60 Å²	60	64.6 Å²	64.6	32%	0.321	32%	0.324	S	S	.	.	S	Bend	trans	-88.1	-1.6	179.3	-170	45.2	0	0	0	113.8	R171 F184 T186	R171-D182 IonicContact CZ-OD2 3.18Å; R171-D182 IonicContact NH1-OD2 2.94Å; R171-D182 PolarHBondContact NH1-OD2 3.11Å; D182-F184 PolarHBondContact O-N 3.35Å; D182-T186 WeakPolarHBondContact O-CG2 3.42Å; D182-T186 PolarHBondContact O-N 3.41Å; D182-T186 PolarHBondContact O-OG1 2.91Å; D182-T186 VanDerWaalsContact OD2-CG2 3.25Å; D182-T186 WeakPolarHBondContact OD2-CG2 3.48Å
183	T	87.4	Confident	88.1	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.006	33%	0.326	C	S	.	.	H	α-helix	trans	-61.4	-44.6	-173.8	-70.2	0	0	0	0	112.6	L168 S179 T186 V187 V244 F245 F248	L168-T183 HydrophobicContact CD2-CG2 3.45Å; L168-T183 VanDerWaalsContact CD2-CG2 3.45Å; S179-T183 PolarHBondContact O-N 3.24Å; S179-T183 PolarHBondContact O-OG1 3.24Å; T183-T186 PolarHBondContact O-N 3.32Å; T183-T186 PolarHBondContact O-OG1 2.89Å; T183-V187 PolarHBondContact O-N 3.16Å; T183-V244 HydrophobicContact CG2-CG1 4.34Å; T183-F245 HydrophobicContact CG2-CB 4.22Å; T183-F245 HydrophobicContact CG2-CD2 4.35Å; T183-F245 WeakPolarHBondContact OG1-CD2 3.26Å; T183-F248 HydrophobicContact CG2-CD2 4.21Å
184	F	89.5	Confident	88.3	Confident	13 Å²	13	60.4 Å²	60.4	6%	0.057	29%	0.294	C	S	.	.	H	α-helix	trans	-63.9	-51.4	-176.6	-171.9	-93.8	0	0	0	110.8	D182 T186 V187 A188 Y192 F232 Q239 V244 F248	D182-F184 PolarHBondContact O-N 3.35Å; F184-T186 PolarHBondContact O-N 2.89Å; F184-T186 VanDerWaalsContact O-N 3.08Å; F184-V187 PolarHBondContact O-N 3.31Å; F184-A188 HydrophobicContact CD1-CB 3.98Å; F184-A188 HydrophobicContact CD2-CB 3.9Å; F184-A188 HydrophobicContact CE1-CB 3.84Å; F184-A188 HydrophobicContact CE2-CB 3.76Å; F184-A188 HydrophobicContact CG-CB 4.02Å; F184-A188 HydrophobicContact CZ-CB 3.75Å; F184-A188 WeakPolarHBondContact O-CA 3.17Å; F184-A188 WeakPolarHBondContact O-CB 3.33Å; F184-A188 PolarHBondContact O-N 3Å; F184-Y192 HydrophobicContact CZ-CE2 4.09Å; F184-F232 HydrophobicContact CD2-CB 4.17Å; F184-F232 HydrophobicContact CE2-CB 3.57Å; F184-F232 HydrophobicContact CZ-CB 4.35Å; F184-Q239 HydrophobicContact CB-CB 3.84Å; F184-Q239 HydrophobicContact CB-CG 4.37Å; F184-Q239 HydrophobicContact CD1-CB 3.65Å; F184-Q239 HydrophobicContact CD1-CG 3.38Å; F184-Q239 HydrophobicContact CD2-CB 4.33Å; F184-Q239 HydrophobicContact CD2-CG 3.98Å; F184-Q239 HydrophobicContact CE1-CB 4.28Å; F184-Q239 HydrophobicContact CE1-CG 3.49Å; F184-Q239 VanDerWaalsContact CE1-CG 3.49Å; F184-Q239 VanDerWaalsContact CE1-NE2 3.29Å; F184-Q239 HydrophobicContact CE2-CG 4.07Å; F184-Q239 HydrophobicContact CG-CB 3.66Å; F184-Q239 HydrophobicContact CG-CG 3.63Å; F184-Q239 HydrophobicContact CZ-CG 3.82Å; F184-V244 HydrophobicContact CB-CG1 4.15Å; F184-V244 HydrophobicContact CD2-CG1 3.97Å; F184-F248 HydrophobicContact CD2-CE2 4.3Å; F184-F248 HydrophobicContact CD2-CZ 4.1Å; F184-F248 HydrophobicContact CE2-CZ 4.31Å
185	H	88.7	Confident	88.5	Confident	111 Å²	111	54.2 Å²	54.2	51%	0.514	26%	0.263	S	S	.	.	H	α-helix	trans	-61.1	-25.1	-176.4	-65.3	-62.1	0	0	0	114.1
186	T	88.8	Confident	88.8	Confident	37 Å²	37	55.4 Å²	55.4	23%	0.227	27%	0.267	C	S	.	.	H	α-helix	trans	-97.1	-25.8	-173.3	52.1	0	0	0	0	113.7	R171 D182 T183 F184	R171-T186 VanDerWaalsContact CZ-CG2 3.47Å; D182-T186 WeakPolarHBondContact O-CG2 3.42Å; D182-T186 PolarHBondContact O-N 3.41Å; D182-T186 PolarHBondContact O-OG1 2.91Å; D182-T186 VanDerWaalsContact OD2-CG2 3.25Å; D182-T186 WeakPolarHBondContact OD2-CG2 3.48Å; T183-T186 PolarHBondContact O-N 3.32Å; T183-T186 PolarHBondContact O-OG1 2.89Å; F184-T186 PolarHBondContact O-N 2.89Å; F184-T186 VanDerWaalsContact O-N 3.08Å
187	V	92.9	Very high	89.1	Confident	1 Å²	1	56 Å²	56	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-124.7	-14.3	-170.1	-169.9	0	0	0	0	112.7	W163 I164 L168 T183 F184 D189 M190 M191	W163-V187 HydrophobicContact CZ3-CG1 4.17Å; I164-V187 HydrophobicContact CB-CG1 3.91Å; I164-V187 HydrophobicContact CD1-CG1 4.47Å; I164-V187 HydrophobicContact CG1-CG1 3.62Å; I164-V187 HydrophobicContact CG2-CG1 3.65Å; L168-V187 HydrophobicContact CD2-CG2 3.86Å; L168-V187 HydrophobicContact CG-CG2 4.37Å; T183-V187 PolarHBondContact O-N 3.16Å; F184-V187 PolarHBondContact O-N 3.31Å; V187-D189 PolarHBondContact O-N 3.47Å; V187-M190 PolarHBondContact O-N 3.04Å; V187-M191 PolarHBondContact O-N 3.05Å
188	A	91.9	Very high	89.6	Confident	4 Å²	4	48.6 Å²	48.6	3%	0.033	23%	0.233	C	C	.	.	H	α-helix	trans	-58.6	-42.7	-177.1	0	0	0	0	0	112.9	F184 M190 M191 Y192 F248	F184-A188 HydrophobicContact CD1-CB 3.98Å; F184-A188 HydrophobicContact CD2-CB 3.9Å; F184-A188 HydrophobicContact CE1-CB 3.84Å; F184-A188 HydrophobicContact CE2-CB 3.76Å; F184-A188 HydrophobicContact CG-CB 4.02Å; F184-A188 HydrophobicContact CZ-CB 3.75Å; F184-A188 WeakPolarHBondContact O-CA 3.17Å; F184-A188 WeakPolarHBondContact O-CB 3.33Å; F184-A188 PolarHBondContact O-N 3Å; A188-M190 VanDerWaalsContact C-N 3.34Å; A188-M190 PolarHBondContact O-N 2.6Å; A188-M191 CarbonylContact O-C 3.58Å; A188-M191 WeakPolarHBondContact O-CA 3.43Å; A188-M191 WeakPolarHBondContact O-CB 3.46Å; A188-M191 PolarHBondContact O-N 3.23Å; A188-Y192 HydrophobicContact CB-CD2 4.18Å; A188-Y192 HydrophobicContact CB-CE2 3.99Å; A188-Y192 WeakPolarHBondContact O-CD2 3.14Å; A188-Y192 PolarHBondContact O-N 3.4Å; A188-F248 HydrophobicContact CB-CE2 4.44Å
189	D	93.5	Very high	90.2	Very high	132 Å²	132	44.6 Å²	44.6	71%	0.706	22%	0.218	S	C	*	.	H	α-helix	trans	-59	-45.1	-178.6	-68	-15.6	0	0	0	112.1	V187 Y192 F193	V187-D189 PolarHBondContact O-N 3.47Å; D189-Y192 PolarHBondContact O-N 3.14Å; D189-F193 WeakPolarHBondContact O-CB 3.31Å; D189-F193 PolarHBondContact O-N 2.84Å
190	M	93.9	Very high	90.6	Very high	56 Å²	56	46.6 Å²	46.6	28%	0.276	23%	0.23	S	C	.	.	H	α-helix	trans	-66.9	-38.6	175.1	-173.1	65.1	101.6	0	0	111.3	W163 I164 V187 A188 F193 C194	W163-M190 HydrophobicContact CB-CE 4.42Å; W163-M190 HydrophobicContact CD2-CE 4.19Å; W163-M190 HydrophobicContact CE3-CB 3.86Å; W163-M190 HydrophobicContact CE3-CE 4.1Å; W163-M190 HydrophobicContact CE3-CG 3.75Å; W163-M190 HydrophobicContact CG-CE 4.34Å; W163-M190 HydrophobicContact CZ3-CB 3.61Å; W163-M190 HydrophobicContact CZ3-CG 4.06Å; I164-M190 HydrophobicContact CD1-CB 4.31Å; I164-M190 HydrophobicContact CD1-CG 3.89Å; I164-M190 HydrophobicContact CG1-CB 4.13Å; I164-M190 HydrophobicContact CG1-CG 3.76Å; V187-M190 PolarHBondContact O-N 3.04Å; A188-M190 VanDerWaalsContact C-N 3.34Å; A188-M190 PolarHBondContact O-N 2.6Å; M190-F193 PolarHBondContact O-N 2.9Å; M190-F193 HydrophobicContact SD-CD1 4.13Å; M190-C194 PolarHBondContact O-N 3.27Å; M190-C194 PolarHBondContact O-SG 2.83Å
191	M	94.9	Very high	90.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.6	-44.1	176.4	-174.7	60.6	75.5	0	0	111.7	F161 I164 V187 A188 C194 Q195 L228 F248 W251	F161-M191 HydrophobicContact CE1-CE 4.44Å; F161-M191 HydrophobicContact CE1-SD 4.01Å; I164-M191 HydrophobicContact CD1-CB 4.31Å; I164-M191 HydrophobicContact CD1-CE 3.92Å; I164-M191 HydrophobicContact CD1-SD 4.26Å; I164-M191 HydrophobicContact CG2-CE 4.01Å; V187-M191 PolarHBondContact O-N 3.05Å; A188-M191 CarbonylContact O-C 3.58Å; A188-M191 WeakPolarHBondContact O-CA 3.43Å; A188-M191 WeakPolarHBondContact O-CB 3.46Å; A188-M191 PolarHBondContact O-N 3.23Å; M191-C194 PolarHBondContact O-N 3.06Å; M191-Q195 WeakPolarHBondContact O-CB 3.43Å; M191-Q195 WeakPolarHBondContact O-CG 3.44Å; M191-Q195 PolarHBondContact O-N 3.36Å; M191-Q195 HydrophobicContact SD-CG 4.3Å; M191-L228 HydrophobicContact CG-CD1 4.01Å; M191-L228 HydrophobicContact CG-CD2 3.97Å; M191-F248 HydrophobicContact CB-CE2 4.14Å; M191-F248 HydrophobicContact CB-CZ 4.19Å; M191-F248 HydrophobicContact CE-CB 3.76Å; M191-F248 HydrophobicContact CE-CD1 3.79Å; M191-F248 HydrophobicContact CE-CD2 4.16Å; M191-F248 HydrophobicContact CE-CE1 4.42Å; M191-F248 HydrophobicContact CE-CG 3.64Å; M191-F248 HydrophobicContact CG-CD1 4.19Å; M191-F248 HydrophobicContact CG-CE1 3.87Å; M191-F248 HydrophobicContact CG-CE2 4.24Å; M191-F248 HydrophobicContact CG-CZ 3.9Å; M191-W251 HydrophobicContact CE-CE3 4.32Å; M191-W251 HydrophobicContact SD-CE3 3.97Å; M191-W251 HydrophobicContact SD-CZ3 4.47Å
192	Y	94.6	Very high	91.2	Very high	49 Å²	49	41.4 Å²	41.4	19%	0.192	21%	0.211	C	C	.	.	H	α-helix	trans	-59.2	-47.2	173.8	-78.3	-62.8	0	0	0	111.1	F184 A188 D189 C194 Q195 M196 L228 F229 G233	F184-Y192 HydrophobicContact CZ-CE2 4.09Å; A188-Y192 HydrophobicContact CB-CD2 4.18Å; A188-Y192 HydrophobicContact CB-CE2 3.99Å; A188-Y192 WeakPolarHBondContact O-CD2 3.14Å; A188-Y192 PolarHBondContact O-N 3.4Å; D189-Y192 PolarHBondContact O-N 3.14Å; Y192-C194 PolarHBondContact O-N 2.89Å; Y192-Q195 PolarHBondContact O-N 2.72Å; Y192-M196 WeakPolarHBondContact O-CB 3.42Å; Y192-M196 VanDerWaalsContact O-CG 3.26Å; Y192-M196 WeakPolarHBondContact O-CG 3.45Å; Y192-M196 PolarHBondContact O-N 3.26Å; Y192-L228 HydrophobicContact CD1-CD1 4.35Å; Y192-L228 HydrophobicContact CD1-CD2 3.53Å; Y192-L228 HydrophobicContact CD1-CG 3.75Å; Y192-L228 HydrophobicContact CE1-CD1 4Å; Y192-L228 HydrophobicContact CE1-CD2 3.83Å; Y192-L228 HydrophobicContact CE1-CG 3.47Å; Y192-L228 VanDerWaalsContact CE1-CG 3.47Å; Y192-L228 HydrophobicContact CG-CD2 4.19Å; Y192-L228 PolarHBondContact OH-O 3.02Å; Y192-F229 AromaticContact CD1-CD1 3.91Å; Y192-F229 HydrophobicContact CD1-CD1 3.91Å; Y192-F229 AromaticContact CD1-CE1 3.36Å; Y192-F229 HydrophobicContact CD1-CE1 3.36Å; Y192-F229 HydrophobicContact CD1-CE2 4.16Å; Y192-F229 AromaticContact CD1-CZ 3.51Å; Y192-F229 HydrophobicContact CD1-CZ 3.51Å; Y192-F229 AromaticContact CE1-CD1 3.52Å; Y192-F229 HydrophobicContact CE1-CD1 3.52Å; Y192-F229 HydrophobicContact CE1-CD2 4.47Å; Y192-F229 AromaticContact CE1-CE1 3.5Å; Y192-F229 HydrophobicContact CE1-CE1 3.5Å; Y192-F229 HydrophobicContact CE1-CE2 4.45Å; Y192-F229 HydrophobicContact CE1-CG 4.04Å; Y192-F229 AromaticContact CE1-CZ 3.99Å; Y192-F229 HydrophobicContact CE1-CZ 3.99Å; Y192-G233 WeakPolarHBondContact OH-CA 3.34Å
193	F	94.8	Very high	91.3	Very high	107 Å²	107	42.6 Å²	42.6	47%	0.469	22%	0.217	S	C	.	.	H	α-helix	trans	-57.9	-50.8	177.7	177.5	-103.2	0	0	0	112.3	V156 D189 M190 Q195 M196 L197	V156-F193 HydrophobicContact CG1-CE1 4.08Å; V156-F193 HydrophobicContact CG1-CZ 4.46Å; D189-F193 WeakPolarHBondContact O-CB 3.31Å; D189-F193 PolarHBondContact O-N 2.84Å; M190-F193 PolarHBondContact O-N 2.9Å; M190-F193 HydrophobicContact SD-CD1 4.13Å; F193-Q195 PolarHBondContact O-N 2.82Å; F193-M196 PolarHBondContact O-N 3.06Å; F193-L197 HydrophobicContact CD1-CD1 4.03Å; F193-L197 HydrophobicContact CE1-CD1 3.38Å; F193-L197 HydrophobicContact CE1-CG 4.34Å; F193-L197 HydrophobicContact CE2-CD1 4.18Å; F193-L197 HydrophobicContact CE2-CG 4.42Å; F193-L197 HydrophobicContact CZ-CD1 3.48Å; F193-L197 VanDerWaalsContact CZ-CD1 3.48Å; F193-L197 HydrophobicContact CZ-CG 4.19Å; F193-L197 PolarHBondContact O-N 3.43Å
194	C	94.8	Very high	91.4	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.007	22%	0.22	C	C	.	.	H	α-helix	trans	-61	-41	178.3	-74.5	0	0	0	0	112.7	Q157 F161 M190 M191 Y192 L197 A198	Q157-C194 PolarHBondContact NE2-O 3.39Å; Q157-C194 PolarHBondContact OE1-O 2.93Å; F161-C194 HydrophobicContact CD2-CB 4.42Å; F161-C194 HydrophobicContact CE1-CB 4.23Å; F161-C194 HydrophobicContact CE2-CB 3.78Å; F161-C194 HydrophobicContact CZ-CB 3.68Å; M190-C194 PolarHBondContact O-N 3.27Å; M190-C194 PolarHBondContact O-SG 2.83Å; M191-C194 PolarHBondContact O-N 3.06Å; Y192-C194 PolarHBondContact O-N 2.89Å; C194-L197 PolarHBondContact O-N 3.27Å; C194-A198 PolarHBondContact O-N 3.12Å
195	Q	93.1	Very high	91.3	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.009	22%	0.22	C	C	.	.	H	α-helix	trans	-71.1	-35.2	178.4	-68.8	-56.7	-1.8	0	0	113.2	M191 Y192 F193 L197 A198 L228	M191-Q195 WeakPolarHBondContact O-CB 3.43Å; M191-Q195 WeakPolarHBondContact O-CG 3.44Å; M191-Q195 PolarHBondContact O-N 3.36Å; M191-Q195 HydrophobicContact SD-CG 4.3Å; Y192-Q195 PolarHBondContact O-N 2.72Å; F193-Q195 PolarHBondContact O-N 2.82Å; Q195-L197 VanDerWaalsContact C-N 3.32Å; Q195-A198 WeakPolarHBondContact O-CB 3.47Å; Q195-A198 PolarHBondContact O-N 3.12Å; Q195-A198 VanDerWaalsContact O-N 3.13Å; Q195-L228 HydrophobicContact CB-CD2 4Å; Q195-L228 HydrophobicContact CG-CD2 3.66Å
196	M	92.1	Very high	91.2	Very high	106 Å²	106	40.8 Å²	40.8	52%	0.522	22%	0.222	S	C	.	.	H	α-helix	trans	-64.7	-40.4	172.2	-71.5	-57.4	-64.8	0	0	111	Y192 F193 A198 V199 F229	Y192-M196 WeakPolarHBondContact O-CB 3.42Å; Y192-M196 VanDerWaalsContact O-CG 3.26Å; Y192-M196 WeakPolarHBondContact O-CG 3.45Å; Y192-M196 PolarHBondContact O-N 3.26Å; F193-M196 PolarHBondContact O-N 3.06Å; M196-A198 PolarHBondContact O-N 3.39Å; M196-V199 VanDerWaalsContact O-CB 3.29Å; M196-V199 WeakPolarHBondContact O-CB 3.26Å; M196-V199 WeakPolarHBondContact O-CG2 3.48Å; M196-V199 PolarHBondContact O-N 3.4Å; M196-F229 HydrophobicContact CG-CZ 4.06Å; M196-F229 HydrophobicContact SD-CE1 4.49Å; M196-F229 HydrophobicContact SD-CE2 4.16Å; M196-F229 HydrophobicContact SD-CZ 3.59Å; M196-F229 VanDerWaalsContact SD-CZ 3.59Å
197	L	91.9	Very high	91.1	Very high	41 Å²	41	45 Å²	45	22%	0.215	24%	0.242	C	C	.	.	H	α-helix	trans	-65.2	-26.3	172.1	-76.2	179.9	0	0	0	113	Y153 V156 F193 C194 Q195 V199 V200	Y153-L197 HydrophobicContact CE2-CB 4.38Å; Y153-L197 WeakPolarHBondContact CE2-O 3.28Å; Y153-L197 PolarHBondContact OH-O 3.21Å; V156-L197 HydrophobicContact CG1-CD1 3.79Å; F193-L197 HydrophobicContact CD1-CD1 4.03Å; F193-L197 HydrophobicContact CE1-CD1 3.38Å; F193-L197 HydrophobicContact CE1-CG 4.34Å; F193-L197 HydrophobicContact CE2-CD1 4.18Å; F193-L197 HydrophobicContact CE2-CG 4.42Å; F193-L197 HydrophobicContact CZ-CD1 3.48Å; F193-L197 VanDerWaalsContact CZ-CD1 3.48Å; F193-L197 HydrophobicContact CZ-CG 4.19Å; F193-L197 PolarHBondContact O-N 3.43Å; C194-L197 PolarHBondContact O-N 3.27Å; Q195-L197 VanDerWaalsContact C-N 3.32Å; L197-V199 PolarHBondContact O-N 3.49Å; L197-V200 VanDerWaalsContact O-CB 3.28Å; L197-V200 WeakPolarHBondContact O-CB 3.42Å; L197-V200 PolarHBondContact O-N 3.4Å; L197-V200 VanDerWaalsContact O-N 3.11Å
198	A	90.2	Very high	90.5	Very high	9 Å²	9	47.1 Å²	47.1	7%	0.074	26%	0.264	C	S	.	.	H	α-helix	trans	-67.7	-19.4	175.9	0	0	0	0	0	112.8	C194 Q195 M196 V200 E201 T202 L221	C194-A198 PolarHBondContact O-N 3.12Å; Q195-A198 WeakPolarHBondContact O-CB 3.47Å; Q195-A198 PolarHBondContact O-N 3.12Å; Q195-A198 VanDerWaalsContact O-N 3.13Å; M196-A198 PolarHBondContact O-N 3.39Å; A198-V200 VanDerWaalsContact C-N 3.25Å; A198-V200 PolarHBondContact O-N 3.43Å; A198-E201 WeakPolarHBondContact O-CB 3.43Å; A198-E201 PolarHBondContact O-N 3.07Å; A198-E201 VanDerWaalsContact O-N 3.16Å; A198-T202 PolarHBondContact O-N 2.93Å; A198-L221 HydrophobicContact CB-CD1 3.76Å
199	V	91	Very high	90.1	Very high	50 Å²	50	48.4 Å²	48.4	30%	0.303	27%	0.271	S	S	.	.	H	α-helix	trans	-60.5	-39.5	169.9	-177.1	0	0	0	0	110.8	M196 L197 E201 T202 I203 L221	M196-V199 VanDerWaalsContact O-CB 3.29Å; M196-V199 WeakPolarHBondContact O-CB 3.26Å; M196-V199 WeakPolarHBondContact O-CG2 3.48Å; M196-V199 PolarHBondContact O-N 3.4Å; L197-V199 PolarHBondContact O-N 3.49Å; V199-E201 PolarHBondContact O-N 3.34Å; V199-T202 PolarHBondContact O-N 3.2Å; V199-T202 VanDerWaalsContact O-N 3.08Å; V199-I203 HydrophobicContact CG1-CD1 4.04Å; V199-I203 HydrophobicContact CG1-CG1 4.48Å; V199-I203 WeakPolarHBondContact O-CG1 3.07Å; V199-I203 PolarHBondContact O-N 2.84Å; V199-L221 HydrophobicContact CB-CD2 4.31Å; V199-L221 HydrophobicContact CG2-CD1 4.36Å; V199-L221 HydrophobicContact CG2-CD2 4.06Å
200	V	90	Very high	89.4	Confident	44 Å²	44	43.9 Å²	43.9	27%	0.267	25%	0.248	S	C	.	.	H	α-helix	trans	-61.1	-33.1	177.6	-176.1	0	0	0	0	111.2	Y149 Y153 L197 A198 T202 I203 N204	Y149-V200 WeakPolarHBondContact OH-CG1 3.39Å; Y153-V200 HydrophobicContact CD2-CG1 4.43Å; Y153-V200 HydrophobicContact CE2-CB 3.95Å; Y153-V200 HydrophobicContact CE2-CG1 4.19Å; L197-V200 VanDerWaalsContact O-CB 3.28Å; L197-V200 WeakPolarHBondContact O-CB 3.42Å; L197-V200 PolarHBondContact O-N 3.4Å; L197-V200 VanDerWaalsContact O-N 3.11Å; A198-V200 VanDerWaalsContact C-N 3.25Å; A198-V200 PolarHBondContact O-N 3.43Å; V200-T202 PolarHBondContact O-N 3.22Å; V200-I203 PolarHBondContact O-N 3.46Å; V200-N204 VanDerWaalsContact O-CB 3.29Å; V200-N204 WeakPolarHBondContact O-CB 3.2Å; V200-N204 PolarHBondContact O-N 2.98Å; V200-N204 PolarHBondContact O-ND2 3.01Å
201	E	87.3	Confident	88.4	Confident	29 Å²	29	48.1 Å²	48.1	14%	0.136	28%	0.277	C	S	.	.	H	α-helix	trans	-63.1	-42.8	175.2	-169.3	173.8	165.1	0	0	111.4	Y153 A198 V199 N204 A205 R258 Y259	Y153-E201 HydrophobicContact CE1-CB 4.41Å; A198-E201 WeakPolarHBondContact O-CB 3.43Å; A198-E201 PolarHBondContact O-N 3.07Å; A198-E201 VanDerWaalsContact O-N 3.16Å; V199-E201 PolarHBondContact O-N 3.34Å; E201-N204 PolarHBondContact O-N 3.34Å; E201-A205 WeakPolarHBondContact O-CB 3.25Å; E201-A205 PolarHBondContact O-N 3.19Å; E201-R258 IonicContact OE1-NH2 3.61Å; E201-R258 IonicContact OE2-CZ 3.91Å; E201-R258 IonicContact OE2-NH2 2.74Å; E201-R258 PolarHBondContact OE2-NH2 3.32Å; E201-Y259 PolarHBondContact OE2-OH 2.69Å
202	T	87.8	Confident	87.5	Confident	16 Å²	16	49.9 Å²	49.9	10%	0.098	29%	0.29	C	S	.	.	H	α-helix	trans	-68.4	-38.2	178.1	-58.3	0	0	0	0	111.3	A198 V199 V200 A205 A206 L218 L221	A198-T202 PolarHBondContact O-N 2.93Å; V199-T202 PolarHBondContact O-N 3.2Å; V199-T202 VanDerWaalsContact O-N 3.08Å; V200-T202 PolarHBondContact O-N 3.22Å; T202-A205 PolarHBondContact O-N 3.24Å; T202-A206 WeakPolarHBondContact O-CB 3.44Å; T202-A206 PolarHBondContact O-N 3.47Å; T202-L218 HydrophobicContact CG2-CB 3.99Å; T202-L218 HydrophobicContact CG2-CD1 3.94Å; T202-L221 WeakPolarHBondContact OG1-CD2 2.91Å
203	I	88.8	Confident	86.8	Confident	85 Å²	85	50.5 Å²	50.5	44%	0.436	30%	0.3	S	S	.	.	H	α-helix	trans	-64	-45.8	173.7	-66.4	170	0	0	0	110.5	V199 V200 A205 A206 I207	V199-I203 HydrophobicContact CG1-CD1 4.04Å; V199-I203 HydrophobicContact CG1-CG1 4.48Å; V199-I203 WeakPolarHBondContact O-CG1 3.07Å; V199-I203 PolarHBondContact O-N 2.84Å; V200-I203 PolarHBondContact O-N 3.46Å; I203-A205 VanDerWaalsContact C-N 3.28Å; I203-A205 PolarHBondContact O-N 2.79Å; I203-A206 WeakPolarHBondContact O-CB 3Å; I203-A206 PolarHBondContact O-N 3.38Å; I203-I207 HydrophobicContact CG2-CD1 3.59Å; I203-I207 HydrophobicContact CG2-CG1 4.3Å; I203-I207 WeakPolarHBondContact O-CG1 3.19Å; I203-I207 PolarHBondContact O-N 3.43Å
204	N	88.8	Confident	86.4	Confident	12 Å²	12	48.1 Å²	48.1	6%	0.064	29%	0.294	C	S	.	.	H	α-helix	trans	-61.8	-36.5	177.6	-75.4	-22.1	0	0	0	112	Y149 V200 E201 G208 V209 T210	Y149-N204 WeakPolarHBondContact CE1-ND2 3.18Å; Y149-N204 PolarHBondContact OH-ND2 3.47Å; Y149-N204 PolarHBondContact OH-OD1 3.39Å; V200-N204 VanDerWaalsContact O-CB 3.29Å; V200-N204 WeakPolarHBondContact O-CB 3.2Å; V200-N204 PolarHBondContact O-N 2.98Å; V200-N204 PolarHBondContact O-ND2 3.01Å; E201-N204 PolarHBondContact O-N 3.34Å; N204-G208 PolarHBondContact O-N 3.08Å; N204-V209 HydrophobicContact CB-CB 4.19Å; N204-V209 WeakPolarHBondContact O-CA 3.49Å; N204-V209 WeakPolarHBondContact O-CB 3.3Å; N204-V209 PolarHBondContact O-N 3.44Å; N204-T210 HydrophobicContact CB-CG2 4.35Å; N204-T210 PolarHBondContact O-N 3.04Å
205	A	86.6	Confident	85.8	Confident	7 Å²	7	53.8 Å²	53.8	6%	0.058	32%	0.324	C	S	.	.	H	α-helix	trans	-67.2	-41.4	171.3	0	0	0	0	0	112	E201 T202 I203 G208 T210 V214	E201-A205 WeakPolarHBondContact O-CB 3.25Å; E201-A205 PolarHBondContact O-N 3.19Å; T202-A205 PolarHBondContact O-N 3.24Å; I203-A205 VanDerWaalsContact C-N 3.28Å; I203-A205 PolarHBondContact O-N 2.79Å; A205-G208 PolarHBondContact O-N 3.41Å; A205-T210 WeakPolarHBondContact CA-OG1 3.25Å; A205-V214 HydrophobicContact CB-CG2 4.2Å
206	A	87.1	Confident	85.3	Confident	68 Å²	68	55.5 Å²	55.5	56%	0.562	34%	0.335	S	S	*	.	H	α-helix	trans	-66.5	-38	-179.7	0	0	0	0	0	113.3	T202 I203 G208 V214	T202-A206 WeakPolarHBondContact O-CB 3.44Å; T202-A206 PolarHBondContact O-N 3.47Å; I203-A206 WeakPolarHBondContact O-CB 3Å; I203-A206 PolarHBondContact O-N 3.38Å; A206-G208 PolarHBondContact O-N 3.24Å; A206-V214 HydrophobicContact CB-CG1 4.23Å; A206-V214 HydrophobicContact CB-CG2 4.47Å
207	I	86.5	Confident	84.9	Confident	126 Å²	126	51.6 Å²	51.6	65%	0.646	32%	0.318	S	S	*	.	H	α-helix	trans	-76.2	-13.6	177.2	-62.1	170.9	0	0	0	111.5	I203 V209	I203-I207 HydrophobicContact CG2-CD1 3.59Å; I203-I207 HydrophobicContact CG2-CG1 4.3Å; I203-I207 WeakPolarHBondContact O-CG1 3.19Å; I203-I207 PolarHBondContact O-N 3.43Å; I207-V209 HydrophobicContact CB-CG2 4.15Å; I207-V209 HydrophobicContact CG2-CG2 3.88Å
208	G	81.1	Confident	84.7	Confident	45 Å²	45	52.8 Å²	52.8	46%	0.464	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	13.7	-176.6	0	0	0	0	0	114.2	R146 N204 A205 A206 T210	R146-G208 PolarHBondContact NH2-O 3.35Å; R146-G208 VanDerWaalsContact NH2-O 3.12Å; N204-G208 PolarHBondContact O-N 3.08Å; A205-G208 PolarHBondContact O-N 3.41Å; A206-G208 PolarHBondContact O-N 3.24Å; G208-T210 PolarHBondContact O-N 3Å
209	V	82.7	Confident	84.6	Confident	32 Å²	32	56.8 Å²	56.8	19%	0.194	34%	0.343	C	S	.	.	S	Bend	trans	-68.7	-20.4	171.8	-175.3	0	0	0	0	111.2	R146 L150 N204 I207	R146-V209 HydrophobicContact CG-CG1 4.02Å; R146-V209 PolarHBondContact NE-O 2.98Å; R146-V209 PolarHBondContact NH2-O 3.43Å; L150-V209 HydrophobicContact CD1-CG1 4.34Å; L150-V209 HydrophobicContact CD2-CG1 4.25Å; L150-V209 HydrophobicContact CG-CG1 4.43Å; N204-V209 HydrophobicContact CB-CB 4.19Å; N204-V209 WeakPolarHBondContact O-CA 3.49Å; N204-V209 WeakPolarHBondContact O-CB 3.3Å; N204-V209 PolarHBondContact O-N 3.44Å; I207-V209 HydrophobicContact CB-CG2 4.15Å; I207-V209 HydrophobicContact CG2-CG2 3.88Å
210	T	79.3	Confident	84.3	Confident	36 Å²	36	56.9 Å²	56.9	22%	0.221	34%	0.34	C	S	.	.	S	Bend	trans	-128.2	154.5	169.8	65.2	0	0	0	0	110.9	L150 N204 A205 G208 S212	L150-T210 HydrophobicContact CD1-CG2 4.44Å; L150-T210 HydrophobicContact CD2-CG2 3.9Å; N204-T210 HydrophobicContact CB-CG2 4.35Å; N204-T210 PolarHBondContact O-N 3.04Å; A205-T210 WeakPolarHBondContact CA-OG1 3.25Å; G208-T210 PolarHBondContact O-N 3Å; T210-S212 PolarHBondContact O-N 2.87Å
211	T	73.1	Confident	84.3	Confident	145 Å²	145	55.5 Å²	55.5	89%	0.89	33%	0.331	S	S	*	.			trans	-82.7	9.4	-179.9	57.1	0	0	0	0	113.3
212	S	75.5	Confident	84.4	Confident	38 Å²	38	59 Å²	59	27%	0.266	35%	0.351	S	S	.	.	S	Bend	trans	-79.4	143.6	-174.8	-67.7	0	0	0	0	111.2	T210 V214	T210-S212 PolarHBondContact O-N 2.87Å; S212-V214 PolarHBondContact O-N 3.32Å
213	P	81.4	Confident	84.5	Confident	62 Å²	62	59 Å²	59	40%	0.403	35%	0.354	S	S	.	.			trans	-68.1	130.9	176.8	29.5	-34.4	0	0	0	110.4	P216 S217	P213-P216 HydrophobicContact CB-CG 4.09Å; P213-P216 HydrophobicContact CG-CG 3.94Å; P213-S217 PolarHBondContact O-OG 3.31Å
214	V	84.9	Confident	84.6	Confident	56 Å²	56	56 Å²	56	34%	0.339	34%	0.337	S	S	.	.	H	α-helix	trans	-66.8	-47.2	-174.9	-174.8	0	0	0	0	111.8	A205 A206 S212 S217 L218	A205-V214 HydrophobicContact CB-CG2 4.2Å; A206-V214 HydrophobicContact CB-CG1 4.23Å; A206-V214 HydrophobicContact CB-CG2 4.47Å; S212-V214 PolarHBondContact O-N 3.32Å; V214-S217 PolarHBondContact O-N 3.42Å; V214-L218 WeakPolarHBondContact O-CB 3.29Å; V214-L218 PolarHBondContact O-N 2.87Å
215	L	83.2	Confident	84.8	Confident	121 Å²	121	56.8 Å²	56.8	63%	0.634	34%	0.341	S	S	*	.	H	α-helix	trans	-62.2	-48	-171.7	-176.1	69.5	0	0	0	113.6	S217 L218 I219	L215-S217 VanDerWaalsContact C-N 3.32Å; L215-S217 PolarHBondContact O-N 2.96Å; L215-L218 PolarHBondContact O-N 3.43Å; L215-I219 HydrophobicContact CD1-CD1 4.16Å; L215-I219 HydrophobicContact CG-CD1 4.03Å; L215-I219 WeakPolarHBondContact O-CG1 3.29Å; L215-I219 PolarHBondContact O-N 3.35Å
216	P	82.9	Confident	85	Confident	38 Å²	38	57.9 Å²	57.9	25%	0.247	35%	0.345	C	S	.	.	H	α-helix	trans	-62.3	-38.8	175.3	-23	35.3	0	0	0	112.9	P213 I219 Q220	P213-P216 HydrophobicContact CB-CG 4.09Å; P213-P216 HydrophobicContact CG-CG 3.94Å; P216-I219 PolarHBondContact O-N 2.82Å; P216-Q220 WeakPolarHBondContact O-CB 3.49Å; P216-Q220 VanDerWaalsContact O-CG 3.23Å; P216-Q220 WeakPolarHBondContact O-CG 3.41Å; P216-Q220 PolarHBondContact O-N 2.85Å
217	S	83.7	Confident	85.2	Confident	23 Å²	23	54.7 Å²	54.7	16%	0.161	32%	0.318	C	S	.	.	H	α-helix	trans	-64.5	-43.9	179.1	-50.6	0	0	0	0	111.2	P213 V214 L215 Q220 L221	P213-S217 PolarHBondContact O-OG 3.31Å; V214-S217 PolarHBondContact O-N 3.42Å; L215-S217 VanDerWaalsContact C-N 3.32Å; L215-S217 PolarHBondContact O-N 2.96Å; S217-Q220 PolarHBondContact O-N 2.81Å; S217-L221 WeakPolarHBondContact O-CB 3.38Å; S217-L221 PolarHBondContact O-N 3.41Å
218	L	87.5	Confident	85.6	Confident	67 Å²	67	48.7 Å²	48.7	35%	0.351	29%	0.287	S	S	.	.	H	α-helix	trans	-63.2	-46	176.7	-179.4	65.9	0	0	0	112.1	T202 V214 L215 Q220 L221 L222	T202-L218 HydrophobicContact CG2-CB 3.99Å; T202-L218 HydrophobicContact CG2-CD1 3.94Å; V214-L218 WeakPolarHBondContact O-CB 3.29Å; V214-L218 PolarHBondContact O-N 2.87Å; L215-L218 PolarHBondContact O-N 3.43Å; L218-Q220 VanDerWaalsContact C-N 3.33Å; L218-Q220 PolarHBondContact O-N 3.49Å; L218-L221 PolarHBondContact O-N 2.67Å; L218-L222 HydrophobicContact CD1-CD1 4.1Å; L218-L222 HydrophobicContact CD1-CG 4.16Å; L218-L222 HydrophobicContact CG-CD1 3.98Å; L218-L222 HydrophobicContact CG-CG 4.41Å; L218-L222 WeakPolarHBondContact O-CB 3.42Å; L218-L222 VanDerWaalsContact O-CG 3.31Å; L218-L222 WeakPolarHBondContact O-CG 3.33Å; L218-L222 PolarHBondContact O-N 3.44Å
219	I	86.8	Confident	86.1	Confident	92 Å²	92	50 Å²	50	47%	0.472	28%	0.28	S	S	.	.	H	α-helix	trans	-62.5	-42.1	179.4	-69.2	168.8	0	0	0	110.8	L215 P216 G223	L215-I219 HydrophobicContact CD1-CD1 4.16Å; L215-I219 HydrophobicContact CG-CD1 4.03Å; L215-I219 WeakPolarHBondContact O-CG1 3.29Å; L215-I219 PolarHBondContact O-N 3.35Å; P216-I219 PolarHBondContact O-N 2.82Å; I219-G223 PolarHBondContact O-N 3.21Å
220	Q	85.7	Confident	86.4	Confident	52 Å²	52	50.8 Å²	50.8	24%	0.243	28%	0.283	C	S	.	.	H	α-helix	trans	-64.8	-44.1	177.6	-72.1	173.1	10.7	0	0	111.8	P216 S217 L218 G223 R224 Y286 N342	P216-Q220 WeakPolarHBondContact O-CB 3.49Å; P216-Q220 VanDerWaalsContact O-CG 3.23Å; P216-Q220 WeakPolarHBondContact O-CG 3.41Å; P216-Q220 PolarHBondContact O-N 2.85Å; S217-Q220 PolarHBondContact O-N 2.81Å; L218-Q220 VanDerWaalsContact C-N 3.33Å; L218-Q220 PolarHBondContact O-N 3.49Å; Q220-G223 PolarHBondContact O-N 3.45Å; Q220-R224 WeakPolarHBondContact O-CG 3.36Å; Q220-R224 PolarHBondContact O-N 3.14Å; Q220-Y286 VanDerWaalsContact CD-OH 3.23Å; Q220-Y286 PolarHBondContact NE2-OH 2.88Å; Q220-Y286 VanDerWaalsContact NE2-OH 3.13Å; Q220-N342 PolarHBondContact NE2-OD1 3.22Å
221	L	89.7	Confident	86.8	Confident	15 Å²	15	49.1 Å²	49.1	8%	0.079	27%	0.273	C	S	.	.	H	α-helix	trans	-61.3	-49.9	176.6	176.7	68.5	0	0	0	111.7	A198 V199 T202 S217 L218 G223 R224 N225	A198-L221 HydrophobicContact CB-CD1 3.76Å; V199-L221 HydrophobicContact CB-CD2 4.31Å; V199-L221 HydrophobicContact CG2-CD1 4.36Å; V199-L221 HydrophobicContact CG2-CD2 4.06Å; T202-L221 WeakPolarHBondContact OG1-CD2 2.91Å; S217-L221 WeakPolarHBondContact O-CB 3.38Å; S217-L221 PolarHBondContact O-N 3.41Å; L218-L221 PolarHBondContact O-N 2.67Å; L221-G223 VanDerWaalsContact C-N 3.3Å; L221-G223 PolarHBondContact O-N 3.39Å; L221-R224 PolarHBondContact O-N 3.44Å; L221-N225 WeakPolarHBondContact O-CB 3.46Å; L221-N225 PolarHBondContact O-N 2.87Å
222	L	90.3	Very high	87.7	Confident	104 Å²	104	42.2 Å²	42.2	55%	0.545	23%	0.23	S	C	.	.	H	α-helix	trans	-61.7	-40	178.3	-71.4	175.7	0	0	0	111.6	L218 F226	L218-L222 HydrophobicContact CD1-CD1 4.1Å; L218-L222 HydrophobicContact CD1-CG 4.16Å; L218-L222 HydrophobicContact CG-CD1 3.98Å; L218-L222 HydrophobicContact CG-CG 4.41Å; L218-L222 WeakPolarHBondContact O-CB 3.42Å; L218-L222 VanDerWaalsContact O-CG 3.31Å; L218-L222 WeakPolarHBondContact O-CG 3.33Å; L218-L222 PolarHBondContact O-N 3.44Å; L222-F226 VanDerWaalsContact O-CB 3.26Å; L222-F226 WeakPolarHBondContact O-CB 3.45Å; L222-F226 PolarHBondContact O-N 2.87Å
223	G	89.6	Confident	88.2	Confident	16 Å²	16	41.9 Å²	41.9	17%	0.165	23%	0.233	C	C	.	.	H	α-helix	trans	-58.1	-52.8	175.6	0	0	0	0	0	112.1	I219 Q220 L221 F226 I227 Y331	I219-G223 PolarHBondContact O-N 3.21Å; Q220-G223 PolarHBondContact O-N 3.45Å; L221-G223 VanDerWaalsContact C-N 3.3Å; L221-G223 PolarHBondContact O-N 3.39Å; G223-F226 WeakPolarHBondContact O-CB 3.45Å; G223-F226 PolarHBondContact O-N 3.45Å; G223-I227 WeakPolarHBondContact O-CG1 3.5Å; G223-I227 PolarHBondContact O-N 3.32Å; G223-Y331 PolarHBondContact O-OH 2.84Å
224	R	90.7	Very high	88.4	Confident	22 Å²	22	40.7 Å²	40.7	8%	0.083	23%	0.225	C	C	.	.	H	α-helix	trans	-66.8	-41.6	-179.9	-67.8	-177.2	178	178.7	-2.5	112.9	Q220 L221 F226 I227 L228 W251 E255	Q220-R224 WeakPolarHBondContact O-CG 3.36Å; Q220-R224 PolarHBondContact O-N 3.14Å; L221-R224 PolarHBondContact O-N 3.44Å; R224-F226 VanDerWaalsContact C-N 3.27Å; R224-F226 PolarHBondContact O-N 3.11Å; R224-I227 PolarHBondContact O-N 2.91Å; R224-L228 WeakPolarHBondContact O-CB 3.41Å; R224-L228 PolarHBondContact O-N 3.29Å; R224-W251 HydrophobicContact CB-CH2 3.79Å; R224-W251 HydrophobicContact CB-CZ2 3.9Å; R224-W251 HydrophobicContact CB-CZ3 4.3Å; R224-W251 HydrophobicContact CG-CH2 4.1Å; R224-W251 HydrophobicContact CG-CZ2 3.7Å; R224-W251 WeakPolarHBondContact O-CH2 3.42Å; R224-E255 IonicContact CZ-OE1 3.47Å; R224-E255 VanDerWaalsContact CZ-OE1 3.23Å; R224-E255 IonicContact NH1-OE1 3.22Å; R224-E255 PolarHBondContact NH1-OE1 3.36Å; R224-E255 IonicContact NH2-OE1 3.42Å; R224-E255 PolarHBondContact NH2-OE1 2.81Å
225	N	92.4	Very high	88.2	Confident	27 Å²	27	38.3 Å²	38.3	14%	0.144	21%	0.21	C	C	.	.	H	α-helix	trans	-64.9	-34.1	177.2	-74.8	-3.5	0	0	0	111.6	L221 L228 F229	L221-N225 WeakPolarHBondContact O-CB 3.46Å; L221-N225 PolarHBondContact O-N 2.87Å; N225-L228 PolarHBondContact O-N 3.38Å; N225-F229 HydrophobicContact CB-CD2 3.96Å; N225-F229 HydrophobicContact CB-CE2 4.3Å; N225-F229 WeakPolarHBondContact O-CB 3.35Å; N225-F229 WeakPolarHBondContact O-CD2 3.36Å; N225-F229 PolarHBondContact O-N 3.29Å
226	F	91.1	Very high	88.3	Confident	31 Å²	31	39.9 Å²	39.9	14%	0.136	21%	0.214	C	C	.	.	I	π-helix	trans	-60.8	-49.4	172.9	-176.8	-95.4	0	0	0	111.3	L222 G223 R224 I230 I231 F324 F327 L328 Y331	L222-F226 VanDerWaalsContact O-CB 3.26Å; L222-F226 WeakPolarHBondContact O-CB 3.45Å; L222-F226 PolarHBondContact O-N 2.87Å; G223-F226 WeakPolarHBondContact O-CB 3.45Å; G223-F226 PolarHBondContact O-N 3.45Å; R224-F226 VanDerWaalsContact C-N 3.27Å; R224-F226 PolarHBondContact O-N 3.11Å; F226-I230 HydrophobicContact CD2-CB 4.13Å; F226-I230 HydrophobicContact CD2-CG1 3.75Å; F226-I230 HydrophobicContact CE2-CB 4.06Å; F226-I230 HydrophobicContact CE2-CG1 3.94Å; F226-I230 HydrophobicContact CE2-CG2 4.01Å; F226-I230 HydrophobicContact CG-CG1 4.44Å; F226-I230 HydrophobicContact CZ-CB 4.45Å; F226-I230 HydrophobicContact CZ-CG2 4.21Å; F226-I230 WeakPolarHBondContact O-CA 3.11Å; F226-I230 WeakPolarHBondContact O-CB 3.38Å; F226-I230 PolarHBondContact O-N 3.01Å; F226-I231 HydrophobicContact CD1-CD1 4.45Å; F226-I231 HydrophobicContact CE1-CD1 4.18Å; F226-I231 HydrophobicContact CE1-CG1 4.28Å; F226-I231 PolarHBondContact O-N 2.99Å; F226-F324 HydrophobicContact CE2-CZ 4.3Å; F226-F324 HydrophobicContact CZ-CZ 4.01Å; F226-F327 HydrophobicContact CE2-CD1 4.39Å; F226-F327 AromaticContact CE2-CE1 3.56Å; F226-F327 HydrophobicContact CE2-CE1 3.56Å; F226-F327 HydrophobicContact CE2-CZ 4.43Å; F226-F327 HydrophobicContact CZ-CD1 4.15Å; F226-F327 AromaticContact CZ-CE1 3.65Å; F226-F327 HydrophobicContact CZ-CE1 3.65Å; F226-L328 HydrophobicContact CE1-CD2 3.82Å; F226-L328 HydrophobicContact CZ-CD2 3.72Å; F226-Y331 HydrophobicContact CB-CE2 4.43Å; F226-Y331 AromaticContact CD1-CD1 3.93Å; F226-Y331 HydrophobicContact CD1-CD1 3.93Å; F226-Y331 HydrophobicContact CD1-CD2 4.19Å; F226-Y331 AromaticContact CD1-CE1 3.46Å; F226-Y331 HydrophobicContact CD1-CE1 3.46Å; F226-Y331 VanDerWaalsContact CD1-CE1 3.46Å; F226-Y331 AromaticContact CD1-CE2 3.77Å; F226-Y331 HydrophobicContact CD1-CE2 3.77Å; F226-Y331 HydrophobicContact CD1-CG 4.26Å; F226-Y331 AromaticContact CD1-CZ 3.38Å; F226-Y331 AromaticContact CE1-CD1 3.67Å; F226-Y331 HydrophobicContact CE1-CD1 3.67Å; F226-Y331 HydrophobicContact CE1-CD2 4.29Å; F226-Y331 AromaticContact CE1-CE1 3.67Å; F226-Y331 HydrophobicContact CE1-CE1 3.67Å; F226-Y331 HydrophobicContact CE1-CE2 4.32Å; F226-Y331 AromaticContact CE1-CG 3.98Å; F226-Y331 HydrophobicContact CE1-CG 3.98Å; F226-Y331 HydrophobicContact CG-CE2 4.17Å
227	I	92.2	Very high	88.4	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.226	C	C	.	.	I	π-helix	trans	-60.6	-49.8	176.5	-56.9	-63.3	0	0	0	110.8	G223 R224 I231 F232 W251 E293 V297 Y331	G223-I227 WeakPolarHBondContact O-CG1 3.5Å; G223-I227 PolarHBondContact O-N 3.32Å; R224-I227 PolarHBondContact O-N 2.91Å; I227-I231 HydrophobicContact CD1-CD1 3.5Å; I227-I231 VanDerWaalsContact CD1-CD1 3.5Å; I227-I231 WeakPolarHBondContact O-CA 3.47Å; I227-I231 VanDerWaalsContact O-CB 3.26Å; I227-I231 WeakPolarHBondContact O-CB 3.44Å; I227-I231 PolarHBondContact O-N 3.18Å; I227-I231 VanDerWaalsContact O-N 3.16Å; I227-F232 HydrophobicContact CG2-CD2 4.15Å; I227-F232 HydrophobicContact CG2-CE2 3.62Å; I227-F232 HydrophobicContact CG2-CZ 3.84Å; I227-F232 PolarHBondContact O-N 3.31Å; I227-W251 HydrophobicContact CB-CH2 4.04Å; I227-W251 HydrophobicContact CB-CZ2 4.27Å; I227-W251 HydrophobicContact CG2-CH2 4.17Å; I227-W251 HydrophobicContact CG2-CZ2 4.36Å; I227-E293 HydrophobicContact CD1-CB 4.25Å; I227-E293 HydrophobicContact CG1-CB 4.37Å; I227-E293 HydrophobicContact CG1-CG 4.14Å; I227-V297 HydrophobicContact CD1-CG2 3.76Å; I227-Y331 HydrophobicContact CD1-CE1 3.75Å
228	L	93.3	Very high	88.6	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.219	C	C	.	.	I	π-helix	trans	-67.8	-54.2	-173.7	-177.8	63.5	0	0	0	112.5	M191 Y192 Q195 R224 N225 F232 G233 F248 W251	M191-L228 HydrophobicContact CG-CD1 4.01Å; M191-L228 HydrophobicContact CG-CD2 3.97Å; Y192-L228 HydrophobicContact CD1-CD1 4.35Å; Y192-L228 HydrophobicContact CD1-CD2 3.53Å; Y192-L228 HydrophobicContact CD1-CG 3.75Å; Y192-L228 HydrophobicContact CE1-CD1 4Å; Y192-L228 HydrophobicContact CE1-CD2 3.83Å; Y192-L228 HydrophobicContact CE1-CG 3.47Å; Y192-L228 VanDerWaalsContact CE1-CG 3.47Å; Y192-L228 HydrophobicContact CG-CD2 4.19Å; Y192-L228 PolarHBondContact OH-O 3.02Å; Q195-L228 HydrophobicContact CB-CD2 4Å; Q195-L228 HydrophobicContact CG-CD2 3.66Å; R224-L228 WeakPolarHBondContact O-CB 3.41Å; R224-L228 PolarHBondContact O-N 3.29Å; N225-L228 PolarHBondContact O-N 3.38Å; L228-F232 HydrophobicContact CD1-CD2 4.47Å; L228-G233 PolarHBondContact O-N 2.97Å; L228-F248 HydrophobicContact CD1-CE1 3.77Å; L228-F248 HydrophobicContact CD1-CZ 3.64Å; L228-W251 HydrophobicContact CB-CH2 4.5Å; L228-W251 HydrophobicContact CB-CZ3 4.39Å
229	F	91.4	Very high	88.7	Confident	72 Å²	72	39.8 Å²	39.8	32%	0.316	21%	0.206	S	C	.	.	I	π-helix	trans	-81.2	-41.6	-174.1	-70.4	-84.4	0	0	0	112.7	Y192 M196 N225 G233 T234	Y192-F229 AromaticContact CD1-CD1 3.91Å; Y192-F229 HydrophobicContact CD1-CD1 3.91Å; Y192-F229 AromaticContact CD1-CE1 3.36Å; Y192-F229 HydrophobicContact CD1-CE1 3.36Å; Y192-F229 HydrophobicContact CD1-CE2 4.16Å; Y192-F229 AromaticContact CD1-CZ 3.51Å; Y192-F229 HydrophobicContact CD1-CZ 3.51Å; Y192-F229 AromaticContact CE1-CD1 3.52Å; Y192-F229 HydrophobicContact CE1-CD1 3.52Å; Y192-F229 HydrophobicContact CE1-CD2 4.47Å; Y192-F229 AromaticContact CE1-CE1 3.5Å; Y192-F229 HydrophobicContact CE1-CE1 3.5Å; Y192-F229 HydrophobicContact CE1-CE2 4.45Å; Y192-F229 HydrophobicContact CE1-CG 4.04Å; Y192-F229 AromaticContact CE1-CZ 3.99Å; Y192-F229 HydrophobicContact CE1-CZ 3.99Å; M196-F229 HydrophobicContact CG-CZ 4.06Å; M196-F229 HydrophobicContact SD-CE1 4.49Å; M196-F229 HydrophobicContact SD-CE2 4.16Å; M196-F229 HydrophobicContact SD-CZ 3.59Å; M196-F229 VanDerWaalsContact SD-CZ 3.59Å; N225-F229 HydrophobicContact CB-CD2 3.96Å; N225-F229 HydrophobicContact CB-CE2 4.3Å; N225-F229 WeakPolarHBondContact O-CB 3.35Å; N225-F229 WeakPolarHBondContact O-CD2 3.36Å; N225-F229 PolarHBondContact O-N 3.29Å; F229-G233 WeakPolarHBondContact O-CA 3.33Å; F229-T234 WeakPolarHBondContact O-CG2 3.39Å; F229-T234 PolarHBondContact O-N 3.39Å
230	I	89.1	Confident	88.7	Confident	50 Å²	50	38.9 Å²	38.9	26%	0.256	20%	0.202	S	C	.	.	I	π-helix	trans	-83.9	-50.3	-176	-52.4	-60.3	0	0	0	110.7	F226 T234 F304 F324	F226-I230 HydrophobicContact CD2-CB 4.13Å; F226-I230 HydrophobicContact CD2-CG1 3.75Å; F226-I230 HydrophobicContact CE2-CB 4.06Å; F226-I230 HydrophobicContact CE2-CG1 3.94Å; F226-I230 HydrophobicContact CE2-CG2 4.01Å; F226-I230 HydrophobicContact CG-CG1 4.44Å; F226-I230 HydrophobicContact CZ-CB 4.45Å; F226-I230 HydrophobicContact CZ-CG2 4.21Å; F226-I230 WeakPolarHBondContact O-CA 3.11Å; F226-I230 WeakPolarHBondContact O-CB 3.38Å; F226-I230 PolarHBondContact O-N 3.01Å; I230-T234 WeakPolarHBondContact O-CB 3.48Å; I230-T234 WeakPolarHBondContact O-CG2 3.36Å; I230-T234 PolarHBondContact O-OG1 2.76Å; I230-F304 HydrophobicContact CG2-CZ 4.46Å; I230-F324 HydrophobicContact CG2-CE1 4.29Å; I230-F324 HydrophobicContact CG2-CZ 3.95Å
231	I	88.6	Confident	88.9	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	I	π-helix	trans	-78.7	-55.4	-174.4	-54.8	-176.4	0	0	0	111.2	F226 I227 M235 M238 V297	F226-I231 HydrophobicContact CD1-CD1 4.45Å; F226-I231 HydrophobicContact CE1-CD1 4.18Å; F226-I231 HydrophobicContact CE1-CG1 4.28Å; F226-I231 PolarHBondContact O-N 2.99Å; I227-I231 HydrophobicContact CD1-CD1 3.5Å; I227-I231 VanDerWaalsContact CD1-CD1 3.5Å; I227-I231 WeakPolarHBondContact O-CA 3.47Å; I227-I231 VanDerWaalsContact O-CB 3.26Å; I227-I231 WeakPolarHBondContact O-CB 3.44Å; I227-I231 PolarHBondContact O-N 3.18Å; I227-I231 VanDerWaalsContact O-N 3.16Å; I231-M235 WeakPolarHBondContact O-CB 3.31Å; I231-M235 WeakPolarHBondContact O-CG 3.33Å; I231-M238 HydrophobicContact CG2-CE 4.02Å; I231-M238 HydrophobicContact CG2-CG 4.37Å; I231-V297 HydrophobicContact CD1-CB 4.33Å; I231-V297 HydrophobicContact CD1-CG2 3.51Å
232	F	91.1	Very high	88.9	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.209	C	C	.	.	I	π-helix	trans	-82.7	-38.6	-176.8	-55.7	-33.7	0	0	0	112.9	F184 I227 L228 M238 Q239 V244 V247 F248	F184-F232 HydrophobicContact CD2-CB 4.17Å; F184-F232 HydrophobicContact CE2-CB 3.57Å; F184-F232 HydrophobicContact CZ-CB 4.35Å; I227-F232 HydrophobicContact CG2-CD2 4.15Å; I227-F232 HydrophobicContact CG2-CE2 3.62Å; I227-F232 HydrophobicContact CG2-CZ 3.84Å; I227-F232 PolarHBondContact O-N 3.31Å; L228-F232 HydrophobicContact CD1-CD2 4.47Å; F232-M238 HydrophobicContact CD1-CB 4.23Å; F232-M238 HydrophobicContact CE1-CE 4.23Å; F232-Q239 WeakPolarHBondContact O-CG 3.34Å; F232-Q239 PolarHBondContact O-NE2 2.99Å; F232-V244 HydrophobicContact CD1-CG2 3.89Å; F232-V244 HydrophobicContact CE1-CG2 3.73Å; F232-V244 HydrophobicContact CE2-CG1 4.48Å; F232-V244 HydrophobicContact CE2-CG2 4.4Å; F232-V244 HydrophobicContact CG-CG2 4.31Å; F232-V244 HydrophobicContact CZ-CG2 4Å; F232-V247 HydrophobicContact CE2-CB 4.27Å; F232-V247 HydrophobicContact CE2-CG1 4.1Å; F232-V247 HydrophobicContact CZ-CB 4.38Å; F232-V247 HydrophobicContact CZ-CG2 4.19Å; F232-F248 AromaticContact CD2-CE1 3.94Å; F232-F248 HydrophobicContact CD2-CE1 3.94Å; F232-F248 HydrophobicContact CD2-CZ 4.36Å; F232-F248 HydrophobicContact CE2-CE1 4.03Å
233	G	87.1	Confident	89	Confident	31 Å²	31	35.2 Å²	35.2	32%	0.32	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-31.5	-177	0	0	0	0	0	114.8	Y192 L228 F229	Y192-G233 WeakPolarHBondContact OH-CA 3.34Å; L228-G233 PolarHBondContact O-N 2.97Å; F229-G233 WeakPolarHBondContact O-CA 3.33Å
234	T	85.1	Confident	89.2	Confident	38 Å²	38	34.5 Å²	34.5	23%	0.233	18%	0.179	C	C	.	.	S	Bend	trans	-92.4	-9.9	-178.9	74.7	0	0	0	0	114.3	F229 I230 R309 F310	F229-T234 WeakPolarHBondContact O-CG2 3.39Å; F229-T234 PolarHBondContact O-N 3.39Å; I230-T234 WeakPolarHBondContact O-CB 3.48Å; I230-T234 WeakPolarHBondContact O-CG2 3.36Å; I230-T234 PolarHBondContact O-OG1 2.76Å; T234-R309 PolarHBondContact O-NH1 3.03Å; T234-F310 HydrophobicContact CG2-CE2 4.29Å; T234-F310 HydrophobicContact CG2-CZ 4.42Å
235	M	81.3	Confident	89.3	Confident	6 Å²	6	34 Å²	34	3%	0.03	18%	0.177	C	C	.	.			trans	-132	103.2	-169.1	-47.6	-176.6	83.4	0	0	111.8	I231 E237 M238 Q239 I303 F304	I231-M235 WeakPolarHBondContact O-CB 3.31Å; I231-M235 WeakPolarHBondContact O-CG 3.33Å; M235-E237 VanDerWaalsContact C-N 3.26Å; M235-E237 PolarHBondContact O-N 3.49Å; M235-M238 HydrophobicContact CB-CB 4.07Å; M235-M238 HydrophobicContact CB-CG 3.99Å; M235-M238 PolarHBondContact O-N 3.48Å; M235-M238 VanDerWaalsContact O-N 3.11Å; M235-M238 HydrophobicContact SD-CG 3.95Å; M235-Q239 WeakPolarHBondContact O-CG 3.46Å; M235-Q239 PolarHBondContact O-N 3.5Å; M235-I303 HydrophobicContact CE-CB 3.42Å; M235-I303 VanDerWaalsContact CE-CB 3.42Å; M235-I303 HydrophobicContact CE-CG2 3.2Å; M235-F304 HydrophobicContact CE-CD1 4.2Å; M235-F304 HydrophobicContact CE-CD2 3.89Å; M235-F304 HydrophobicContact CE-CE1 4.28Å; M235-F304 HydrophobicContact CE-CE2 4.02Å; M235-F304 HydrophobicContact CE-CG 3.99Å; M235-F304 HydrophobicContact CE-CZ 4.2Å; M235-F304 HydrophobicContact CG-CE1 4.42Å; M235-F304 HydrophobicContact CG-CE2 4.37Å; M235-F304 HydrophobicContact CG-CZ 3.99Å; M235-F304 HydrophobicContact SD-CD1 4.36Å; M235-F304 HydrophobicContact SD-CD2 3.61Å; M235-F304 HydrophobicContact SD-CE1 3.95Å; M235-F304 HydrophobicContact SD-CE2 3.14Å; M235-F304 WeakPolarHBondContact SD-CE2 3.45Å; M235-F304 HydrophobicContact SD-CG 4.21Å; M235-F304 HydrophobicContact SD-CZ 3.33Å; M235-F304 WeakPolarHBondContact SD-CZ 3.44Å
236	E	85.4	Confident	89.4	Confident	153 Å²	153	37.5 Å²	37.5	72%	0.715	19%	0.192	S	C	*	.	H	α-helix	trans	-60.7	-34.7	176.1	-66.5	175.9	-170.2	0	0	112.3	M238 Q239	E236-M238 PolarHBondContact O-N 2.93Å; E236-Q239 WeakPolarHBondContact O-CB 3.5Å; E236-Q239 PolarHBondContact O-N 3.31Å; E236-Q239 VanDerWaalsContact O-N 3.08Å
237	E	85.1	Confident	89.5	Confident	108 Å²	108	36 Å²	36	51%	0.505	19%	0.185	S	C	.	.	H	α-helix	trans	-62	-29.5	176.3	-67.9	178.2	-141.1	0	0	113.6	M235 K241 I303	M235-E237 VanDerWaalsContact C-N 3.26Å; M235-E237 PolarHBondContact O-N 3.49Å; E237-K241 WeakPolarHBondContact O-CG 3.35Å; E237-I303 HydrophobicContact CB-CD1 4.07Å; E237-I303 HydrophobicContact CB-CG2 4.42Å; E237-I303 VanDerWaalsContact OE2-CG2 3.23Å; E237-I303 WeakPolarHBondContact OE2-CG2 3.3Å
238	M	86.9	Confident	89.7	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-79.3	-27.7	176.5	-73.8	-62.4	-62.8	0	0	112.1	I231 F232 M235 E236 N240 K241 V244 S296 Q299 I303	I231-M238 HydrophobicContact CG2-CE 4.02Å; I231-M238 HydrophobicContact CG2-CG 4.37Å; F232-M238 HydrophobicContact CD1-CB 4.23Å; F232-M238 HydrophobicContact CE1-CE 4.23Å; M235-M238 HydrophobicContact CB-CB 4.07Å; M235-M238 HydrophobicContact CB-CG 3.99Å; M235-M238 PolarHBondContact O-N 3.48Å; M235-M238 VanDerWaalsContact O-N 3.11Å; M235-M238 HydrophobicContact SD-CG 3.95Å; E236-M238 PolarHBondContact O-N 2.93Å; M238-N240 VanDerWaalsContact C-N 3.26Å; M238-N240 PolarHBondContact O-N 3.43Å; M238-K241 HydrophobicContact CE-CD 4.33Å; M238-K241 PolarHBondContact O-N 2.77Å; M238-K241 VanDerWaalsContact O-N 3.1Å; M238-K241 HydrophobicContact SD-CD 3.77Å; M238-V244 WeakPolarHBondContact O-CG2 3.35Å; M238-S296 VanDerWaalsContact CE-O 3.29Å; M238-S296 WeakPolarHBondContact CE-O 3.36Å; M238-Q299 HydrophobicContact CE-CB 4.11Å; M238-Q299 HydrophobicContact SD-CB 4.27Å; M238-I303 HydrophobicContact CG-CD1 4Å; M238-I303 HydrophobicContact SD-CD1 3.64Å
239	Q	89	Confident	89.7	Confident	19 Å²	19	39.6 Å²	39.6	9%	0.089	20%	0.199	C	C	.	.	H	α-helix	trans	-63.5	-34.3	-178.5	-64	173.6	6.3	0	0	111.9	F184 F232 M235 E236 K241	F184-Q239 HydrophobicContact CB-CB 3.84Å; F184-Q239 HydrophobicContact CB-CG 4.37Å; F184-Q239 HydrophobicContact CD1-CB 3.65Å; F184-Q239 HydrophobicContact CD1-CG 3.38Å; F184-Q239 HydrophobicContact CD2-CB 4.33Å; F184-Q239 HydrophobicContact CD2-CG 3.98Å; F184-Q239 HydrophobicContact CE1-CB 4.28Å; F184-Q239 HydrophobicContact CE1-CG 3.49Å; F184-Q239 VanDerWaalsContact CE1-CG 3.49Å; F184-Q239 VanDerWaalsContact CE1-NE2 3.29Å; F184-Q239 HydrophobicContact CE2-CG 4.07Å; F184-Q239 HydrophobicContact CG-CB 3.66Å; F184-Q239 HydrophobicContact CG-CG 3.63Å; F184-Q239 HydrophobicContact CZ-CG 3.82Å; F232-Q239 WeakPolarHBondContact O-CG 3.34Å; F232-Q239 PolarHBondContact O-NE2 2.99Å; M235-Q239 WeakPolarHBondContact O-CG 3.46Å; M235-Q239 PolarHBondContact O-N 3.5Å; E236-Q239 WeakPolarHBondContact O-CB 3.5Å; E236-Q239 PolarHBondContact O-N 3.31Å; E236-Q239 VanDerWaalsContact O-N 3.08Å; Q239-K241 VanDerWaalsContact C-N 3.28Å; Q239-K241 PolarHBondContact O-N 3.37Å
240	N	87.6	Confident	89.9	Confident	73 Å²	73	37.2 Å²	37.2	39%	0.39	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	1	177.7	-67.9	-42.7	0	0	0	113.7	Y181 M238	Y181-N240 HydrophobicContact CD1-CB 4.47Å; Y181-N240 WeakPolarHBondContact CD1-O 3.48Å; Y181-N240 VanDerWaalsContact CE1-O 3.28Å; Y181-N240 WeakPolarHBondContact CE1-O 3.07Å; M238-N240 VanDerWaalsContact C-N 3.26Å; M238-N240 PolarHBondContact O-N 3.43Å
241	K	90	Very high	90.1	Very high	54 Å²	54	35 Å²	35	24%	0.235	18%	0.178	C	C	.	.	S	Bend	trans	-88.4	141	-179.3	-60.9	-162.6	-173.7	178.8	0	111.6	E237 M238 Q239 V243 V244 Q299	E237-K241 WeakPolarHBondContact O-CG 3.35Å; M238-K241 HydrophobicContact CE-CD 4.33Å; M238-K241 PolarHBondContact O-N 2.77Å; M238-K241 VanDerWaalsContact O-N 3.1Å; M238-K241 HydrophobicContact SD-CD 3.77Å; Q239-K241 VanDerWaalsContact C-N 3.28Å; Q239-K241 PolarHBondContact O-N 3.37Å; K241-V243 PolarHBondContact O-N 2.65Å; K241-V244 WeakPolarHBondContact O-CB 3.29Å; K241-V244 WeakPolarHBondContact O-CG2 3.32Å; K241-V244 PolarHBondContact O-N 3.23Å; K241-Q299 HydrophobicContact CD-CB 4.46Å; K241-Q299 PolarHBondContact NZ-O 3.12Å
242	A	90.6	Very high	90.5	Very high	28 Å²	28	35 Å²	35	23%	0.231	18%	0.178	C	C	.	.	H	α-helix	trans	-57.6	-19.1	176.9	0	0	0	0	0	114.7	F180 V244 F245 F246	F180-A242 HydrophobicContact CB-CB 3.84Å; F180-A242 HydrophobicContact CD2-CB 4.01Å; F180-A242 HydrophobicContact CG-CB 4.06Å; A242-V244 PolarHBondContact O-N 3.39Å; A242-F245 WeakPolarHBondContact O-CB 3.29Å; A242-F245 PolarHBondContact O-N 2.98Å; A242-F246 VanDerWaalsContact O-CD2 3.22Å; A242-F246 WeakPolarHBondContact O-CD2 3.44Å; A242-F246 PolarHBondContact O-N 2.72Å
243	V	92.3	Very high	90.6	Very high	12 Å²	12	35.4 Å²	35.4	7%	0.073	18%	0.182	C	C	.	.	H	α-helix	trans	-59.5	-34.4	175.2	-175.7	0	0	0	0	111.8	K241 F245 F246 V247 A292 I295 Q299	K241-V243 PolarHBondContact O-N 2.65Å; V243-F245 VanDerWaalsContact C-N 3.31Å; V243-F245 PolarHBondContact O-N 3.16Å; V243-F246 PolarHBondContact O-N 3.11Å; V243-V247 HydrophobicContact CG1-CG2 4.2Å; V243-V247 WeakPolarHBondContact O-CG2 3.28Å; V243-V247 PolarHBondContact O-N 3.35Å; V243-A292 WeakPolarHBondContact CG1-O 3.46Å; V243-I295 HydrophobicContact CG1-CG2 4.28Å; V243-I295 HydrophobicContact CG2-CG2 3.74Å; V243-Q299 VanDerWaalsContact CG2-NE2 3.34Å
244	V	92.6	Very high	90.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.2	-44.7	178.2	-178.7	0	0	0	0	110.7	T183 F184 F232 M238 K241 A242 F246 V247 F248	T183-V244 HydrophobicContact CG2-CG1 4.34Å; F184-V244 HydrophobicContact CB-CG1 4.15Å; F184-V244 HydrophobicContact CD2-CG1 3.97Å; F232-V244 HydrophobicContact CD1-CG2 3.89Å; F232-V244 HydrophobicContact CE1-CG2 3.73Å; F232-V244 HydrophobicContact CE2-CG1 4.48Å; F232-V244 HydrophobicContact CE2-CG2 4.4Å; F232-V244 HydrophobicContact CG-CG2 4.31Å; F232-V244 HydrophobicContact CZ-CG2 4Å; M238-V244 WeakPolarHBondContact O-CG2 3.35Å; K241-V244 WeakPolarHBondContact O-CB 3.29Å; K241-V244 WeakPolarHBondContact O-CG2 3.32Å; K241-V244 PolarHBondContact O-N 3.23Å; A242-V244 PolarHBondContact O-N 3.39Å; V244-F246 PolarHBondContact O-N 3.31Å; V244-V247 PolarHBondContact O-N 3.13Å; V244-F248 HydrophobicContact CG1-CD1 4.39Å; V244-F248 HydrophobicContact CG1-CD2 4.12Å; V244-F248 HydrophobicContact CG1-CE1 4.2Å; V244-F248 HydrophobicContact CG1-CE2 3.93Å; V244-F248 HydrophobicContact CG1-CG 4.36Å; V244-F248 HydrophobicContact CG1-CZ 3.97Å; V244-F248 WeakPolarHBondContact O-CB 3.49Å; V244-F248 PolarHBondContact O-N 2.98Å
245	F	93.6	Very high	91.2	Very high	11 Å²	11	33.3 Å²	33.3	5%	0.048	16%	0.161	C	C	.	.	H	α-helix	trans	-56.7	-50	176.4	176	-89.5	0	0	0	111.6	L168 F172 F180 T183 A242 V243 V247 F248 Y249	L168-F245 HydrophobicContact CB-CE2 3.96Å; L168-F245 HydrophobicContact CD2-CD2 4.02Å; L168-F245 HydrophobicContact CD2-CE2 4.2Å; F172-F245 HydrophobicContact CB-CE2 4.26Å; F172-F245 HydrophobicContact CB-CZ 4.06Å; F172-F245 HydrophobicContact CD2-CZ 4.29Å; F172-F245 HydrophobicContact CG-CZ 4.26Å; F180-F245 HydrophobicContact CD1-CB 3.89Å; F180-F245 AromaticContact CD1-CD1 3.76Å; F180-F245 HydrophobicContact CD1-CD1 3.76Å; F180-F245 AromaticContact CD1-CD2 3.92Å; F180-F245 HydrophobicContact CD1-CD2 3.92Å; F180-F245 HydrophobicContact CD1-CE1 4.27Å; F180-F245 HydrophobicContact CD1-CE2 4.39Å; F180-F245 AromaticContact CD1-CG 3.57Å; F180-F245 HydrophobicContact CD1-CG 3.57Å; F180-F245 AromaticContact CE1-CD1 3.58Å; F180-F245 HydrophobicContact CE1-CD1 3.58Å; F180-F245 HydrophobicContact CE1-CD2 4.27Å; F180-F245 AromaticContact CE1-CE1 3.72Å; F180-F245 HydrophobicContact CE1-CE1 3.72Å; F180-F245 HydrophobicContact CE1-CE2 4.37Å; F180-F245 AromaticContact CE1-CG 3.89Å; F180-F245 HydrophobicContact CE1-CG 3.89Å; F180-F245 HydrophobicContact CE1-CZ 4.12Å; T183-F245 HydrophobicContact CG2-CB 4.22Å; T183-F245 HydrophobicContact CG2-CD2 4.35Å; T183-F245 WeakPolarHBondContact OG1-CD2 3.26Å; A242-F245 WeakPolarHBondContact O-CB 3.29Å; A242-F245 PolarHBondContact O-N 2.98Å; V243-F245 VanDerWaalsContact C-N 3.31Å; V243-F245 PolarHBondContact O-N 3.16Å; F245-V247 PolarHBondContact O-N 3.29Å; F245-F248 PolarHBondContact O-N 3.46Å; F245-Y249 HydrophobicContact CZ-CD2 4.24Å; F245-Y249 WeakPolarHBondContact O-CB 3.39Å; F245-Y249 PolarHBondContact O-N 3.41Å
246	F	93.4	Very high	91.8	Very high	102 Å²	102	34 Å²	34	45%	0.447	17%	0.165	S	C	.	.	H	α-helix	trans	-63.3	-41.9	-179.4	-69.1	-68.5	0	0	0	112.4	A242 V243 V244 L250 A292	A242-F246 VanDerWaalsContact O-CD2 3.22Å; A242-F246 WeakPolarHBondContact O-CD2 3.44Å; A242-F246 PolarHBondContact O-N 2.72Å; V243-F246 PolarHBondContact O-N 3.11Å; V244-F246 PolarHBondContact O-N 3.31Å; F246-L250 VanDerWaalsContact O-CB 3.29Å; F246-L250 WeakPolarHBondContact O-CB 3.42Å; F246-L250 WeakPolarHBondContact O-CD1 3.31Å; F246-L250 WeakPolarHBondContact O-CG 3.47Å; F246-L250 PolarHBondContact O-N 2.89Å; F246-A292 HydrophobicContact CB-CB 4.28Å
247	V	94.7	Very high	92.1	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.7	-52.1	177.2	174.1	0	0	0	0	110.4	F232 V243 V244 F245 Y249 L250 W251 A292	F232-V247 HydrophobicContact CE2-CB 4.27Å; F232-V247 HydrophobicContact CE2-CG1 4.1Å; F232-V247 HydrophobicContact CZ-CB 4.38Å; F232-V247 HydrophobicContact CZ-CG2 4.19Å; V243-V247 HydrophobicContact CG1-CG2 4.2Å; V243-V247 WeakPolarHBondContact O-CG2 3.28Å; V243-V247 PolarHBondContact O-N 3.35Å; V244-V247 PolarHBondContact O-N 3.13Å; F245-V247 PolarHBondContact O-N 3.29Å; V247-Y249 VanDerWaalsContact C-N 3.35Å; V247-Y249 PolarHBondContact O-N 3.36Å; V247-L250 PolarHBondContact O-N 3.42Å; V247-W251 HydrophobicContact CG1-CD2 3.74Å; V247-W251 VanDerWaalsContact CG1-CE2 3.44Å; V247-W251 HydrophobicContact CG1-CE3 4.06Å; V247-W251 HydrophobicContact CG1-CG 4.37Å; V247-W251 HydrophobicContact CG1-CH2 3.85Å; V247-W251 HydrophobicContact CG1-CZ2 3.51Å; V247-W251 HydrophobicContact CG1-CZ3 4.11Å; V247-W251 WeakPolarHBondContact O-CB 3.46Å; V247-W251 VanDerWaalsContact O-CG 3.23Å; V247-W251 PolarHBondContact O-N 3.33Å; V247-A292 HydrophobicContact CG2-CB 3.71Å
248	F	95.3	Very high	92.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-66.1	-37.9	-177.3	-74	9	0	0	0	112.3	L168 T183 F184 A188 M191 L228 F232 V244 F245 W251 S252	L168-F248 HydrophobicContact CD1-CB 3.91Å; T183-F248 HydrophobicContact CG2-CD2 4.21Å; F184-F248 HydrophobicContact CD2-CE2 4.3Å; F184-F248 HydrophobicContact CD2-CZ 4.1Å; F184-F248 HydrophobicContact CE2-CZ 4.31Å; A188-F248 HydrophobicContact CB-CE2 4.44Å; M191-F248 HydrophobicContact CB-CE2 4.14Å; M191-F248 HydrophobicContact CB-CZ 4.19Å; M191-F248 HydrophobicContact CE-CB 3.76Å; M191-F248 HydrophobicContact CE-CD1 3.79Å; M191-F248 HydrophobicContact CE-CD2 4.16Å; M191-F248 HydrophobicContact CE-CE1 4.42Å; M191-F248 HydrophobicContact CE-CG 3.64Å; M191-F248 HydrophobicContact CG-CD1 4.19Å; M191-F248 HydrophobicContact CG-CE1 3.87Å; M191-F248 HydrophobicContact CG-CE2 4.24Å; M191-F248 HydrophobicContact CG-CZ 3.9Å; L228-F248 HydrophobicContact CD1-CE1 3.77Å; L228-F248 HydrophobicContact CD1-CZ 3.64Å; F232-F248 AromaticContact CD2-CE1 3.94Å; F232-F248 HydrophobicContact CD2-CE1 3.94Å; F232-F248 HydrophobicContact CD2-CZ 4.36Å; F232-F248 HydrophobicContact CE2-CE1 4.03Å; V244-F248 HydrophobicContact CG1-CD1 4.39Å; V244-F248 HydrophobicContact CG1-CD2 4.12Å; V244-F248 HydrophobicContact CG1-CE1 4.2Å; V244-F248 HydrophobicContact CG1-CE2 3.93Å; V244-F248 HydrophobicContact CG1-CG 4.36Å; V244-F248 HydrophobicContact CG1-CZ 3.97Å; V244-F248 WeakPolarHBondContact O-CB 3.49Å; V244-F248 PolarHBondContact O-N 2.98Å; F245-F248 PolarHBondContact O-N 3.46Å; F248-W251 HydrophobicContact CD1-CE3 4.47Å; F248-S252 VanDerWaalsContact O-CB 3.32Å; F248-S252 WeakPolarHBondContact O-CB 3.41Å; F248-S252 PolarHBondContact O-N 2.89Å; F248-S252 PolarHBondContact O-OG 3.23Å
249	Y	94.3	Very high	92.7	Very high	75 Å²	75	26.8 Å²	26.8	29%	0.294	13%	0.129	S	C	.	.	H	α-helix	trans	-65.8	-47.8	177.4	-170.2	-93.8	0	0	0	111.9	F165 L168 F245 V247 S252 A253	F165-Y249 HydrophobicContact CD2-CD2 4.22Å; F165-Y249 AromaticContact CD2-CE2 3.86Å; F165-Y249 HydrophobicContact CD2-CE2 3.86Å; F165-Y249 HydrophobicContact CE2-CD2 4.22Å; F165-Y249 AromaticContact CE2-CE1 3.9Å; F165-Y249 HydrophobicContact CE2-CE1 3.9Å; F165-Y249 AromaticContact CE2-CE2 3.52Å; F165-Y249 HydrophobicContact CE2-CE2 3.52Å; F165-Y249 AromaticContact CE2-CZ 3.33Å; F165-Y249 WeakPolarHBondContact CE2-OH 3.36Å; F165-Y249 HydrophobicContact CZ-CE2 4.13Å; F165-Y249 AromaticContact CZ-CZ 3.83Å; F165-Y249 WeakPolarHBondContact CZ-OH 3.37Å; L168-Y249 HydrophobicContact CB-CD2 4.18Å; F245-Y249 HydrophobicContact CZ-CD2 4.24Å; F245-Y249 WeakPolarHBondContact O-CB 3.39Å; F245-Y249 PolarHBondContact O-N 3.41Å; V247-Y249 VanDerWaalsContact C-N 3.35Å; V247-Y249 PolarHBondContact O-N 3.36Å; Y249-S252 PolarHBondContact O-N 2.98Å; Y249-S252 PolarHBondContact O-OG 3.19Å; Y249-A253 VanDerWaalsContact O-CB 3.23Å; Y249-A253 WeakPolarHBondContact O-CB 3.32Å; Y249-A253 PolarHBondContact O-N 3.32Å
250	L	94.7	Very high	92.9	Very high	21 Å²	21	27 Å²	27	11%	0.11	13%	0.132	C	C	.	.	H	α-helix	trans	-68	-39.5	-179.8	-70.3	167.6	0	0	0	112	F246 V247 I254 L285 L288 A292	F246-L250 VanDerWaalsContact O-CB 3.29Å; F246-L250 WeakPolarHBondContact O-CB 3.42Å; F246-L250 WeakPolarHBondContact O-CD1 3.31Å; F246-L250 WeakPolarHBondContact O-CG 3.47Å; F246-L250 PolarHBondContact O-N 2.89Å; V247-L250 PolarHBondContact O-N 3.42Å; L250-I254 WeakPolarHBondContact O-CG1 3.43Å; L250-I254 PolarHBondContact O-N 3.45Å; L250-L285 HydrophobicContact CD2-CD2 3.78Å; L250-L288 HydrophobicContact CD1-CB 3.85Å; L250-L288 WeakPolarHBondContact CD1-O 3.42Å; L250-L288 HydrophobicContact CD2-CB 4Å; L250-L288 HydrophobicContact CD2-CD1 4.44Å; L250-A292 HydrophobicContact CD1-CB 4.11Å
251	W	94.4	Very high	93.1	Very high	3 Å²	3	24.4 Å²	24.4	1%	0.011	12%	0.117	C	C	.	.	H	α-helix	trans	-60.1	-56.7	172.9	-72.3	-0	0	0	0	110.5	M191 R224 I227 L228 V247 F248 A253 I254 E255 E293	M191-W251 HydrophobicContact CE-CE3 4.32Å; M191-W251 HydrophobicContact SD-CE3 3.97Å; M191-W251 HydrophobicContact SD-CZ3 4.47Å; R224-W251 HydrophobicContact CB-CH2 3.79Å; R224-W251 HydrophobicContact CB-CZ2 3.9Å; R224-W251 HydrophobicContact CB-CZ3 4.3Å; R224-W251 HydrophobicContact CG-CH2 4.1Å; R224-W251 HydrophobicContact CG-CZ2 3.7Å; R224-W251 WeakPolarHBondContact O-CH2 3.42Å; I227-W251 HydrophobicContact CB-CH2 4.04Å; I227-W251 HydrophobicContact CB-CZ2 4.27Å; I227-W251 HydrophobicContact CG2-CH2 4.17Å; I227-W251 HydrophobicContact CG2-CZ2 4.36Å; L228-W251 HydrophobicContact CB-CH2 4.5Å; L228-W251 HydrophobicContact CB-CZ3 4.39Å; V247-W251 HydrophobicContact CG1-CD2 3.74Å; V247-W251 VanDerWaalsContact CG1-CE2 3.44Å; V247-W251 HydrophobicContact CG1-CE3 4.06Å; V247-W251 HydrophobicContact CG1-CG 4.37Å; V247-W251 HydrophobicContact CG1-CH2 3.85Å; V247-W251 HydrophobicContact CG1-CZ2 3.51Å; V247-W251 HydrophobicContact CG1-CZ3 4.11Å; V247-W251 WeakPolarHBondContact O-CB 3.46Å; V247-W251 VanDerWaalsContact O-CG 3.23Å; V247-W251 PolarHBondContact O-N 3.33Å; F248-W251 HydrophobicContact CD1-CE3 4.47Å; W251-A253 VanDerWaalsContact C-N 3.32Å; W251-A253 PolarHBondContact O-N 3.35Å; W251-I254 PolarHBondContact O-N 3.05Å; W251-E255 VanDerWaalsContact O-CG 3.23Å; W251-E255 WeakPolarHBondContact O-CG 3.43Å; W251-E255 PolarHBondContact O-N 3.36Å; W251-E293 HydrophobicContact CZ2-CG 4.16Å; W251-E293 WeakPolarHBondContact CZ2-OE1 3.28Å; W251-E293 PolarHBondContact NE1-OE1 2.84Å
252	S	95.1	Very high	93	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.3	-40.2	-178.6	56.9	0	0	0	0	113.2	F248 Y249 I254 E255 I256	F248-S252 VanDerWaalsContact O-CB 3.32Å; F248-S252 WeakPolarHBondContact O-CB 3.41Å; F248-S252 PolarHBondContact O-N 2.89Å; F248-S252 PolarHBondContact O-OG 3.23Å; Y249-S252 PolarHBondContact O-N 2.98Å; Y249-S252 PolarHBondContact O-OG 3.19Å; S252-I254 PolarHBondContact O-N 2.93Å; S252-E255 PolarHBondContact O-N 3.39Å; S252-I256 WeakPolarHBondContact O-CD1 3.17Å; S252-I256 VanDerWaalsContact O-CG1 3.25Å; S252-I256 WeakPolarHBondContact O-CG1 3.47Å; S252-I256 PolarHBondContact O-N 3.49Å
253	A	94	Very high	93	Very high	10 Å²	10	24.1 Å²	24.1	8%	0.083	11%	0.111	C	C	.	.	H	α-helix	trans	-58.7	-43.3	177.4	0	0	0	0	0	112.9	F165 Y249 W251 F257 L285	F165-A253 HydrophobicContact CD2-CB 4.09Å; F165-A253 HydrophobicContact CE2-CB 3.8Å; Y249-A253 VanDerWaalsContact O-CB 3.23Å; Y249-A253 WeakPolarHBondContact O-CB 3.32Å; Y249-A253 PolarHBondContact O-N 3.32Å; W251-A253 VanDerWaalsContact C-N 3.32Å; W251-A253 PolarHBondContact O-N 3.35Å; A253-F257 WeakPolarHBondContact O-CD2 3.32Å; A253-L285 HydrophobicContact CB-CD1 4.39Å
254	I	92.4	Very high	92.9	Very high	24 Å²	24	25 Å²	25	12%	0.123	11%	0.114	C	C	.	.	H	α-helix	trans	-69.5	-42.8	177.5	-64.2	174	0	0	0	110.6	L250 W251 S252 F257 R258 L285 Y286	L250-I254 WeakPolarHBondContact O-CG1 3.43Å; L250-I254 PolarHBondContact O-N 3.45Å; W251-I254 PolarHBondContact O-N 3.05Å; S252-I254 PolarHBondContact O-N 2.93Å; I254-F257 PolarHBondContact O-N 3.32Å; I254-R258 PolarHBondContact O-N 2.96Å; I254-L285 HydrophobicContact CD1-CB 3.52Å; I254-L285 HydrophobicContact CG1-CB 3.42Å; I254-L285 VanDerWaalsContact CG1-CB 3.42Å; I254-L285 HydrophobicContact CG1-CD1 3.57Å; I254-L285 HydrophobicContact CG1-CG 4.1Å; I254-Y286 HydrophobicContact CD1-CD2 4.09Å
255	E	92.6	Very high	92.6	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.9	-36.8	-172.2	-68.6	-50.6	143.9	0	0	113.1	F161 R224 W251 S252 F257 R258 Y259	F161-E255 HydrophobicContact CB-CB 4.06Å; F161-E255 HydrophobicContact CD1-CB 3.84Å; F161-E255 HydrophobicContact CD1-CG 4.12Å; F161-E255 HydrophobicContact CD2-CB 3.57Å; F161-E255 HydrophobicContact CD2-CG 4.12Å; F161-E255 HydrophobicContact CE1-CB 4.14Å; F161-E255 HydrophobicContact CE1-CG 3.9Å; F161-E255 HydrophobicContact CE2-CB 3.9Å; F161-E255 HydrophobicContact CE2-CG 3.92Å; F161-E255 HydrophobicContact CG-CB 3.53Å; F161-E255 HydrophobicContact CG-CG 4.22Å; F161-E255 HydrophobicContact CZ-CB 4.17Å; F161-E255 HydrophobicContact CZ-CG 3.8Å; R224-E255 IonicContact CZ-OE1 3.47Å; R224-E255 VanDerWaalsContact CZ-OE1 3.23Å; R224-E255 IonicContact NH1-OE1 3.22Å; R224-E255 PolarHBondContact NH1-OE1 3.36Å; R224-E255 IonicContact NH2-OE1 3.42Å; R224-E255 PolarHBondContact NH2-OE1 2.81Å; W251-E255 VanDerWaalsContact O-CG 3.23Å; W251-E255 WeakPolarHBondContact O-CG 3.43Å; W251-E255 PolarHBondContact O-N 3.36Å; S252-E255 PolarHBondContact O-N 3.39Å; E255-F257 PolarHBondContact O-N 2.86Å; E255-R258 VanDerWaalsContact CD-CZ 3.47Å; E255-R258 PolarHBondContact O-N 3.34Å; E255-R258 VanDerWaalsContact O-N 3.13Å; E255-R258 IonicContact OE1-CZ 3.45Å; E255-R258 IonicContact OE1-NH1 2.7Å; E255-R258 PolarHBondContact OE1-NH1 2.91Å; E255-R258 IonicContact OE2-CZ 2.72Å; E255-R258 IonicContact OE2-NE 2.94Å; E255-R258 PolarHBondContact OE2-NE 3.4Å; E255-R258 IonicContact OE2-NH1 2.81Å; E255-R258 PolarHBondContact OE2-NH1 3.34Å; E255-R258 IonicContact OE2-NH2 3.53Å; E255-R258 PolarHBondContact OE2-NH2 3.02Å; E255-Y259 HydrophobicContact CB-CD2 4.02Å; E255-Y259 HydrophobicContact CB-CE2 3.95Å; E255-Y259 HydrophobicContact CG-CE2 4.3Å; E255-Y259 WeakPolarHBondContact O-CD2 3.38Å; E255-Y259 PolarHBondContact O-N 2.93Å; E255-Y259 WeakPolarHBondContact OE2-CE2 3.41Å
256	I	94	Very high	92.3	Very high	22 Å²	22	28.6 Å²	28.6	11%	0.113	14%	0.138	C	C	.	.	H	α-helix	trans	-52.3	-54.3	176.3	-73.7	165.8	0	0	0	110.7	F158 F161 F165 S252 R258 S260	F158-I256 HydrophobicContact CD2-CG2 4.37Å; F158-I256 HydrophobicContact CE2-CG2 3.85Å; F161-I256 HydrophobicContact CB-CG1 4.12Å; F165-I256 HydrophobicContact CB-CD1 3.33Å; F165-I256 HydrophobicContact CD1-CD1 3.89Å; F165-I256 HydrophobicContact CD2-CD1 4.17Å; F165-I256 HydrophobicContact CG-CD1 3.54Å; S252-I256 WeakPolarHBondContact O-CD1 3.17Å; S252-I256 VanDerWaalsContact O-CG1 3.25Å; S252-I256 WeakPolarHBondContact O-CG1 3.47Å; S252-I256 PolarHBondContact O-N 3.49Å; I256-R258 VanDerWaalsContact C-N 3.32Å; I256-R258 PolarHBondContact O-N 2.84Å; I256-S260 WeakPolarHBondContact O-CB 3.45Å; I256-S260 PolarHBondContact O-N 3.08Å; I256-S260 PolarHBondContact O-OG 2.89Å
257	F	92.3	Very high	92.1	Very high	68 Å²	68	28.4 Å²	28.4	30%	0.298	14%	0.141	S	C	.	.	H	α-helix	trans	-69.7	-31	-178.6	-62.5	-76.4	0	0	0	112.8	A253 I254 E255 F261 L274 L277 L281	A253-F257 WeakPolarHBondContact O-CD2 3.32Å; I254-F257 PolarHBondContact O-N 3.32Å; E255-F257 PolarHBondContact O-N 2.86Å; F257-F261 WeakPolarHBondContact O-CB 3.38Å; F257-F261 PolarHBondContact O-N 3.4Å; F257-F261 VanDerWaalsContact O-N 3.11Å; F257-L274 HydrophobicContact CD1-CD1 3.98Å; F257-L277 HydrophobicContact CD1-CB 4.47Å; F257-L277 HydrophobicContact CD1-CD1 3.98Å; F257-L277 HydrophobicContact CE1-CD1 3.84Å; F257-L281 HydrophobicContact CB-CD1 3.76Å; F257-L281 HydrophobicContact CD1-CD1 4.04Å; F257-L281 HydrophobicContact CD2-CD1 3.18Å; F257-L281 HydrophobicContact CE1-CD1 4.46Å; F257-L281 HydrophobicContact CE2-CD1 3.69Å; F257-L281 HydrophobicContact CG-CD1 3.38Å; F257-L281 HydrophobicContact CZ-CD1 4.3Å
258	R	91.7	Very high	91.6	Very high	40 Å²	40	34.1 Å²	34.1	15%	0.151	17%	0.172	C	C	.	.	H	α-helix	trans	-65.8	-52.7	178	-171.7	179.8	90.7	-171.2	15.3	111.1	E201 I254 E255 I256 F261 Y262	E201-R258 IonicContact OE1-NH2 3.61Å; E201-R258 IonicContact OE2-CZ 3.91Å; E201-R258 IonicContact OE2-NH2 2.74Å; E201-R258 PolarHBondContact OE2-NH2 3.32Å; I254-R258 PolarHBondContact O-N 2.96Å; E255-R258 VanDerWaalsContact CD-CZ 3.47Å; E255-R258 PolarHBondContact O-N 3.34Å; E255-R258 VanDerWaalsContact O-N 3.13Å; E255-R258 IonicContact OE1-CZ 3.45Å; E255-R258 IonicContact OE1-NH1 2.7Å; E255-R258 PolarHBondContact OE1-NH1 2.91Å; E255-R258 IonicContact OE2-CZ 2.72Å; E255-R258 IonicContact OE2-NE 2.94Å; E255-R258 PolarHBondContact OE2-NE 3.4Å; E255-R258 IonicContact OE2-NH1 2.81Å; E255-R258 PolarHBondContact OE2-NH1 3.34Å; E255-R258 IonicContact OE2-NH2 3.53Å; E255-R258 PolarHBondContact OE2-NH2 3.02Å; I256-R258 VanDerWaalsContact C-N 3.32Å; I256-R258 PolarHBondContact O-N 2.84Å; R258-F261 WeakPolarHBondContact O-CB 3.48Å; R258-F261 PolarHBondContact O-N 3.33Å; R258-Y262 HydrophobicContact CG-CD2 4.21Å; R258-Y262 HydrophobicContact CG-CE2 3.66Å; R258-Y262 PolarHBondContact O-N 3.01Å
259	Y	92.6	Very high	91.2	Very high	1 Å²	1	39 Å²	39	0%	0.004	20%	0.196	C	C	.	.	H	α-helix	trans	-69.2	-37.4	-178.3	-70.6	-62.4	0	0	0	111.9	Y153 N154 Q157 F161 E201 E255 F261 Y262 M263	Y153-Y259 HydrophobicContact CE1-CE1 4.29Å; N154-Y259 HydrophobicContact CB-CD1 4.42Å; N154-Y259 WeakPolarHBondContact OD1-CD1 3.28Å; Q157-Y259 HydrophobicContact CB-CD1 3.64Å; Q157-Y259 HydrophobicContact CB-CD2 3.71Å; Q157-Y259 HydrophobicContact CB-CE1 3.62Å; Q157-Y259 HydrophobicContact CB-CE2 3.69Å; Q157-Y259 HydrophobicContact CB-CG 3.69Å; Q157-Y259 HydrophobicContact CG-CD1 4.26Å; Q157-Y259 HydrophobicContact CG-CE1 3.77Å; Q157-Y259 HydrophobicContact CG-CE2 4.24Å; F161-Y259 AromaticContact CD2-CD2 3.87Å; F161-Y259 HydrophobicContact CD2-CD2 3.87Å; F161-Y259 AromaticContact CD2-CE2 3.57Å; F161-Y259 HydrophobicContact CD2-CE2 3.57Å; F161-Y259 HydrophobicContact CE2-CD2 4.28Å; F161-Y259 AromaticContact CE2-CE2 3.51Å; F161-Y259 HydrophobicContact CE2-CE2 3.51Å; E201-Y259 PolarHBondContact OE2-OH 2.69Å; E255-Y259 HydrophobicContact CB-CD2 4.02Å; E255-Y259 HydrophobicContact CB-CE2 3.95Å; E255-Y259 HydrophobicContact CG-CE2 4.3Å; E255-Y259 WeakPolarHBondContact O-CD2 3.38Å; E255-Y259 PolarHBondContact O-N 2.93Å; E255-Y259 WeakPolarHBondContact OE2-CE2 3.41Å; Y259-F261 VanDerWaalsContact C-N 3.28Å; Y259-F261 PolarHBondContact O-N 3.38Å; Y259-Y262 HydrophobicContact CD1-CD2 4.41Å; Y259-Y262 PolarHBondContact O-N 2.87Å; Y259-M263 VanDerWaalsContact O-CG 3.3Å; Y259-M263 WeakPolarHBondContact O-CG 3.46Å; Y259-M263 PolarHBondContact O-N 3.06Å
260	S	92.4	Very high	90.6	Very high	23 Å²	23	41 Å²	41	16%	0.161	21%	0.211	C	C	.	.	H	α-helix	trans	-56.6	-43.5	170.5	-56.8	0	0	0	0	111.8	F158 I256 M263 L264	F158-S260 WeakPolarHBondContact CD2-OG 3.38Å; F158-S260 WeakPolarHBondContact CE2-OG 3.4Å; I256-S260 WeakPolarHBondContact O-CB 3.45Å; I256-S260 PolarHBondContact O-N 3.08Å; I256-S260 PolarHBondContact O-OG 2.89Å; S260-M263 PolarHBondContact O-N 3.3Å; S260-L264 WeakPolarHBondContact O-CG 3.44Å; S260-L264 PolarHBondContact O-N 3.22Å; S260-L264 VanDerWaalsContact O-N 3.12Å
261	F	91.4	Very high	90.2	Very high	18 Å²	18	47 Å²	47	8%	0.079	23%	0.233	C	C	.	.	H	α-helix	trans	-64.4	-42.1	179	173	-91.7	0	0	0	111.9	F257 R258 Y259 L264 T265 L274 T275 R278	F257-F261 WeakPolarHBondContact O-CB 3.38Å; F257-F261 PolarHBondContact O-N 3.4Å; F257-F261 VanDerWaalsContact O-N 3.11Å; R258-F261 WeakPolarHBondContact O-CB 3.48Å; R258-F261 PolarHBondContact O-N 3.33Å; Y259-F261 VanDerWaalsContact C-N 3.28Å; Y259-F261 PolarHBondContact O-N 3.38Å; F261-L264 PolarHBondContact O-N 2.78Å; F261-T265 PolarHBondContact O-N 3.06Å; F261-T265 PolarHBondContact O-OG1 2.92Å; F261-L274 HydrophobicContact CB-CD2 4.22Å; F261-L274 HydrophobicContact CB-CG 4.32Å; F261-T275 HydrophobicContact CE2-CG2 4.02Å; F261-R278 HydrophobicContact CB-CB 4.26Å; F261-R278 HydrophobicContact CB-CG 4.25Å; F261-R278 HydrophobicContact CD1-CG 4.03Å; F261-R278 HydrophobicContact CD2-CB 4.3Å; F261-R278 HydrophobicContact CD2-CG 4.4Å; F261-R278 HydrophobicContact CG-CB 4.15Å; F261-R278 HydrophobicContact CG-CG 3.93Å; F261-R278 VanDerWaalsContact CZ-NH1 3.3Å
262	Y	89.4	Confident	89.8	Confident	52 Å²	52	55.4 Å²	55.4	20%	0.204	27%	0.269	C	S	.	.	H	α-helix	trans	-66.9	-38.4	177.7	-65.8	-24.5	0	0	0	112.7	R258 Y259 L264 T265 C266	R258-Y262 HydrophobicContact CG-CD2 4.21Å; R258-Y262 HydrophobicContact CG-CE2 3.66Å; R258-Y262 PolarHBondContact O-N 3.01Å; Y259-Y262 HydrophobicContact CD1-CD2 4.41Å; Y259-Y262 PolarHBondContact O-N 2.87Å; Y262-L264 PolarHBondContact O-N 2.83Å; Y262-T265 WeakPolarHBondContact O-CB 3.26Å; Y262-T265 PolarHBondContact O-N 2.81Å; Y262-C266 PolarHBondContact O-N 2.93Å; Y262-C266 VanDerWaalsContact O-N 3.12Å; Y262-C266 PolarHBondContact O-SG 3.49Å; Y262-C266 VanDerWaalsContact O-SG 3.39Å
263	M	90.9	Very high	89.5	Confident	25 Å²	25	59.3 Å²	59.3	12%	0.123	29%	0.293	C	S	.	.	H	α-helix	trans	-59.1	-47	173	-69.7	170.6	64.9	0	0	112.2	F151 N154 L155 F158 Y259 S260 T265 C266 I267	F151-M263 HydrophobicContact CD2-CB 4.19Å; F151-M263 HydrophobicContact CD2-CG 4.48Å; F151-M263 HydrophobicContact CE2-CB 4.02Å; F151-M263 HydrophobicContact CE2-CE 3.84Å; F151-M263 HydrophobicContact CE2-CG 4.39Å; F151-M263 HydrophobicContact CZ-CE 3.93Å; N154-M263 HydrophobicContact CB-CG 3.49Å; N154-M263 VanDerWaalsContact CB-CG 3.49Å; L155-M263 HydrophobicContact CB-CE 3.95Å; L155-M263 HydrophobicContact CB-SD 4.29Å; L155-M263 HydrophobicContact CD1-CE 3.51Å; L155-M263 HydrophobicContact CD1-SD 4.37Å; L155-M263 HydrophobicContact CG-CE 4.31Å; F158-M263 HydrophobicContact CB-SD 3.83Å; F158-M263 HydrophobicContact CD1-SD 4.33Å; F158-M263 HydrophobicContact CG-SD 4.13Å; Y259-M263 VanDerWaalsContact O-CG 3.3Å; Y259-M263 WeakPolarHBondContact O-CG 3.46Å; Y259-M263 PolarHBondContact O-N 3.06Å; S260-M263 PolarHBondContact O-N 3.3Å; M263-T265 VanDerWaalsContact C-N 3.27Å; M263-T265 PolarHBondContact O-N 3.35Å; M263-C266 WeakPolarHBondContact O-CB 3.42Å; M263-C266 PolarHBondContact O-N 3.44Å; M263-C266 VanDerWaalsContact O-N 3.14Å; M263-I267 PolarHBondContact O-N 2.85Å
264	L	89.4	Confident	89.2	Confident	29 Å²	29	59.3 Å²	59.3	15%	0.152	29%	0.291	C	S	.	.	H	α-helix	trans	-63.6	-35.7	178.7	-68.7	-163.5	0	0	0	112.3	S260 F261 Y262 C266 I267 D268 M269 W271 L274	S260-L264 WeakPolarHBondContact O-CG 3.44Å; S260-L264 PolarHBondContact O-N 3.22Å; S260-L264 VanDerWaalsContact O-N 3.12Å; F261-L264 PolarHBondContact O-N 2.78Å; Y262-L264 PolarHBondContact O-N 2.83Å; L264-C266 VanDerWaalsContact C-N 3.29Å; L264-C266 PolarHBondContact O-N 3.33Å; L264-I267 PolarHBondContact O-N 2.89Å; L264-D268 PolarHBondContact O-N 3.32Å; L264-M269 WeakPolarHBondContact CB-O 3.44Å; L264-M269 HydrophobicContact CD1-CE 4.38Å; L264-M269 HydrophobicContact CD2-CE 3.4Å; L264-M269 HydrophobicContact CG-CE 4.47Å; L264-M269 PolarHBondContact O-N 3.18Å; L264-W271 HydrophobicContact CD1-CB 3.7Å; L264-W271 HydrophobicContact CD1-CE3 4.17Å; L264-L274 HydrophobicContact CD1-CD2 3.49Å; L264-L274 VanDerWaalsContact CD1-CD2 3.49Å; L264-L274 HydrophobicContact CG-CD2 4.05Å
265	T	86.9	Confident	89	Confident	65 Å²	65	58.7 Å²	58.7	40%	0.399	29%	0.289	S	S	.	.	H	α-helix	trans	-64.4	-34.3	175.7	-52	0	0	0	0	111.5	F261 Y262 M263 I267 D268	F261-T265 PolarHBondContact O-N 3.06Å; F261-T265 PolarHBondContact O-OG1 2.92Å; Y262-T265 WeakPolarHBondContact O-CB 3.26Å; Y262-T265 PolarHBondContact O-N 2.81Å; M263-T265 VanDerWaalsContact C-N 3.27Å; M263-T265 PolarHBondContact O-N 3.35Å; T265-I267 VanDerWaalsContact C-N 3.3Å; T265-I267 PolarHBondContact O-N 3.26Å; T265-D268 PolarHBondContact O-N 3.45Å
266	C	87.1	Confident	88.8	Confident	23 Å²	23	64.7 Å²	64.7	16%	0.155	31%	0.311	C	S	.	.	H	α-helix	trans	-68.2	-27.1	176.1	-67.3	0	0	0	0	113.6	F151 Y262 M263 L264 D268	F151-C266 HydrophobicContact CB-CB 4.07Å; F151-C266 HydrophobicContact CD2-CB 4.31Å; Y262-C266 PolarHBondContact O-N 2.93Å; Y262-C266 VanDerWaalsContact O-N 3.12Å; Y262-C266 PolarHBondContact O-SG 3.49Å; Y262-C266 VanDerWaalsContact O-SG 3.39Å; M263-C266 WeakPolarHBondContact O-CB 3.42Å; M263-C266 PolarHBondContact O-N 3.44Å; M263-C266 VanDerWaalsContact O-N 3.14Å; L264-C266 VanDerWaalsContact C-N 3.29Å; L264-C266 PolarHBondContact O-N 3.33Å; C266-D268 VanDerWaalsContact C-N 3.31Å
267	I	88.2	Confident	88.6	Confident	98 Å²	98	65.4 Å²	65.4	50%	0.503	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	6.3	176.6	-56.7	163.8	0	0	0	111.2	F151 M263 L264 T265 M269	F151-I267 HydrophobicContact CD2-CD1 3.91Å; F151-I267 HydrophobicContact CD2-CG1 4.01Å; F151-I267 HydrophobicContact CE2-CD1 3.34Å; F151-I267 HydrophobicContact CE2-CG1 3.97Å; F151-I267 HydrophobicContact CZ-CD1 4.04Å; M263-I267 PolarHBondContact O-N 2.85Å; L264-I267 PolarHBondContact O-N 2.89Å; T265-I267 VanDerWaalsContact C-N 3.3Å; T265-I267 PolarHBondContact O-N 3.26Å; I267-M269 PolarHBondContact O-N 2.69Å; I267-M269 VanDerWaalsContact O-N 3.14Å
268	D	84.8	Confident	88.4	Confident	120 Å²	120	64.8 Å²	64.8	64%	0.642	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	27.9	-176.3	-56.4	-57.5	0	0	0	113.1	K147 L264 T265 C266	K147-D268 IonicContact NZ-OD1 3.23Å; K147-D268 PolarHBondContact NZ-OD1 3.21Å; K147-D268 IonicContact NZ-OD2 3.54Å; K147-D268 PolarHBondContact NZ-OD2 3.34Å; L264-D268 PolarHBondContact O-N 3.32Å; T265-D268 PolarHBondContact O-N 3.45Å; C266-D268 VanDerWaalsContact C-N 3.31Å
269	M	86.2	Confident	88.2	Confident	102 Å²	102	64.3 Å²	64.3	50%	0.502	31%	0.309	S	S	.	.			trans	-102.2	116.2	179	-174.3	167.7	65.6	0	0	111.5	L264 I267 W271	L264-M269 WeakPolarHBondContact CB-O 3.44Å; L264-M269 HydrophobicContact CD1-CE 4.38Å; L264-M269 HydrophobicContact CD2-CE 3.4Å; L264-M269 HydrophobicContact CG-CE 4.47Å; L264-M269 PolarHBondContact O-N 3.18Å; I267-M269 PolarHBondContact O-N 2.69Å; I267-M269 VanDerWaalsContact O-N 3.14Å; M269-W271 PolarHBondContact O-N 3.33Å
270	D	81.4	Confident	88	Confident	116 Å²	116	65.3 Å²	65.3	62%	0.62	32%	0.316	S	S	*	.			trans	-95.3	95.2	-179.2	-85.2	-32.2	0	0	0	112.6
271	W	87	Confident	87.9	Confident	148 Å²	148	66 Å²	66	56%	0.561	32%	0.317	S	S	*	.			trans	-88.1	112.7	171.4	-166.9	23.7	0	0	0	112	L264 M269 V273 L274 T275	L264-W271 HydrophobicContact CD1-CB 3.7Å; L264-W271 HydrophobicContact CD1-CE3 4.17Å; M269-W271 PolarHBondContact O-N 3.33Å; W271-V273 PolarHBondContact O-N 3.01Å; W271-L274 HydrophobicContact CB-CB 4.26Å; W271-L274 HydrophobicContact CD2-CB 4.13Å; W271-L274 HydrophobicContact CE3-CB 3.72Å; W271-L274 HydrophobicContact CE3-CD2 4.28Å; W271-L274 HydrophobicContact CG-CB 4.39Å; W271-L274 HydrophobicContact CZ3-CB 4.46Å; W271-L274 PolarHBondContact O-N 2.99Å; W271-T275 WeakPolarHBondContact O-CB 3.39Å; W271-T275 PolarHBondContact O-N 3.11Å; W271-T275 PolarHBondContact O-OG1 3.03Å
272	K	86.9	Confident	87.6	Confident	180 Å²	180	66 Å²	66	78%	0.783	32%	0.317	S	S	*	.	H	α-helix	trans	-58.8	-41.4	-174.6	-68.4	177.6	-176.9	169.8	0	113.7	W276	K272-W276 WeakPolarHBondContact O-CB 3.43Å; K272-W276 PolarHBondContact O-N 3.47Å
273	V	88.6	Confident	87.6	Confident	81 Å²	81	66.6 Å²	66.6	49%	0.491	32%	0.323	S	S	.	.	H	α-helix	trans	-66.2	-49.1	-178.9	179	0	0	0	0	110.5	W271 T275 W276 L277	W271-V273 PolarHBondContact O-N 3.01Å; V273-T275 VanDerWaalsContact C-N 3.33Å; V273-T275 PolarHBondContact O-N 2.97Å; V273-W276 WeakPolarHBondContact O-CB 3.44Å; V273-W276 PolarHBondContact O-N 3.34Å; V273-W276 VanDerWaalsContact O-N 3.15Å; V273-L277 HydrophobicContact CG1-CD1 4.14Å; V273-L277 WeakPolarHBondContact O-CG 3.37Å; V273-L277 PolarHBondContact O-N 3.32Å
274	L	87.7	Confident	87.6	Confident	11 Å²	11	68.8 Å²	68.8	6%	0.058	34%	0.339	C	S	.	.	H	α-helix	trans	-64.3	-39.6	179.4	-169.1	68.9	0	0	0	112	F257 F261 L264 W271 W276 L277 R278	F257-L274 HydrophobicContact CD1-CD1 3.98Å; F261-L274 HydrophobicContact CB-CD2 4.22Å; F261-L274 HydrophobicContact CB-CG 4.32Å; L264-L274 HydrophobicContact CD1-CD2 3.49Å; L264-L274 VanDerWaalsContact CD1-CD2 3.49Å; L264-L274 HydrophobicContact CG-CD2 4.05Å; W271-L274 HydrophobicContact CB-CB 4.26Å; W271-L274 HydrophobicContact CD2-CB 4.13Å; W271-L274 HydrophobicContact CE3-CB 3.72Å; W271-L274 HydrophobicContact CE3-CD2 4.28Å; W271-L274 HydrophobicContact CG-CB 4.39Å; W271-L274 HydrophobicContact CZ3-CB 4.46Å; W271-L274 PolarHBondContact O-N 2.99Å; L274-W276 VanDerWaalsContact C-N 3.32Å; L274-W276 PolarHBondContact O-N 2.98Å; L274-L277 PolarHBondContact O-N 3.45Å; L274-R278 WeakPolarHBondContact O-CB 3.19Å; L274-R278 PolarHBondContact O-N 2.93Å
275	T	86.9	Confident	87.7	Confident	10 Å²	10	68.7 Å²	68.7	6%	0.061	34%	0.338	C	S	.	.	H	α-helix	trans	-59.8	-44.6	173.2	-56	0	0	0	0	111	F261 W271 V273 R278 Y279	F261-T275 HydrophobicContact CE2-CG2 4.02Å; W271-T275 WeakPolarHBondContact O-CB 3.39Å; W271-T275 PolarHBondContact O-N 3.11Å; W271-T275 PolarHBondContact O-OG1 3.03Å; V273-T275 VanDerWaalsContact C-N 3.33Å; V273-T275 PolarHBondContact O-N 2.97Å; T275-R278 PolarHBondContact O-N 3.35Å; T275-Y279 HydrophobicContact CG2-CD2 3.93Å; T275-Y279 HydrophobicContact CG2-CE2 3.9Å; T275-Y279 WeakPolarHBondContact O-CD2 3.42Å; T275-Y279 PolarHBondContact O-N 3.33Å
276	W	89.3	Confident	87.7	Confident	127 Å²	127	67.1 Å²	67.1	48%	0.481	33%	0.325	S	S	.	.	H	α-helix	trans	-63.1	-45	176.7	179.2	87.8	0	0	0	112.2	K272 V273 L274 Y279 T280 Y354	K272-W276 WeakPolarHBondContact O-CB 3.43Å; K272-W276 PolarHBondContact O-N 3.47Å; V273-W276 WeakPolarHBondContact O-CB 3.44Å; V273-W276 PolarHBondContact O-N 3.34Å; V273-W276 VanDerWaalsContact O-N 3.15Å; L274-W276 VanDerWaalsContact C-N 3.32Å; L274-W276 PolarHBondContact O-N 2.98Å; W276-Y279 PolarHBondContact O-N 3.14Å; W276-T280 HydrophobicContact CH2-CG2 4.14Å; W276-T280 HydrophobicContact CZ2-CG2 3.85Å; W276-T280 VanDerWaalsContact O-CB 3.24Å; W276-T280 WeakPolarHBondContact O-CB 3.4Å; W276-T280 PolarHBondContact O-N 3.3Å; W276-T280 PolarHBondContact O-OG1 3.43Å; W276-Y354 WeakPolarHBondContact CA-OH 3.48Å; W276-Y354 PolarHBondContact N-OH 3.1Å
277	L	88.8	Confident	87.9	Confident	37 Å²	37	68.2 Å²	68.2	19%	0.194	33%	0.332	C	S	.	.	H	α-helix	trans	-57.9	-50.1	176	-75.7	172	0	0	0	110.8	F257 V273 L274 Y279 T280 L281	F257-L277 HydrophobicContact CD1-CB 4.47Å; F257-L277 HydrophobicContact CD1-CD1 3.98Å; F257-L277 HydrophobicContact CE1-CD1 3.84Å; V273-L277 HydrophobicContact CG1-CD1 4.14Å; V273-L277 WeakPolarHBondContact O-CG 3.37Å; V273-L277 PolarHBondContact O-N 3.32Å; L274-L277 PolarHBondContact O-N 3.45Å; L277-Y279 VanDerWaalsContact C-N 3.25Å; L277-Y279 PolarHBondContact O-N 3.25Å; L277-T280 PolarHBondContact O-N 2.9Å; L277-L281 HydrophobicContact CB-CD1 3.82Å; L277-L281 HydrophobicContact CB-CG 4.22Å; L277-L281 HydrophobicContact CD2-CD1 4.13Å; L277-L281 HydrophobicContact CD2-CD2 4.25Å; L277-L281 HydrophobicContact CD2-CG 4.06Å; L277-L281 VanDerWaalsContact O-CB 3.24Å; L277-L281 WeakPolarHBondContact O-CB 3.37Å; L277-L281 VanDerWaalsContact O-CG 3.26Å; L277-L281 WeakPolarHBondContact O-CG 3.44Å; L277-L281 PolarHBondContact O-N 3.05Å
278	R	89.3	Confident	88.1	Confident	54 Å²	54	67.6 Å²	67.6	20%	0.204	33%	0.329	C	S	.	.	H	α-helix	trans	-53.5	-40.4	176.9	174.4	-94.9	173	123.1	-4.4	113	F261 L274 T275	F261-R278 HydrophobicContact CB-CB 4.26Å; F261-R278 HydrophobicContact CB-CG 4.25Å; F261-R278 HydrophobicContact CD1-CG 4.03Å; F261-R278 HydrophobicContact CD2-CB 4.3Å; F261-R278 HydrophobicContact CD2-CG 4.4Å; F261-R278 HydrophobicContact CG-CB 4.15Å; F261-R278 HydrophobicContact CG-CG 3.93Å; F261-R278 VanDerWaalsContact CZ-NH1 3.3Å; L274-R278 WeakPolarHBondContact O-CB 3.19Å; L274-R278 PolarHBondContact O-N 2.93Å; T275-R278 PolarHBondContact O-N 3.35Å
279	Y	86.8	Confident	88.4	Confident	30 Å²	30	62.1 Å²	62.1	12%	0.118	30%	0.301	C	S	.	.	H	α-helix	trans	-89.6	-0.1	-179	-74.8	-69.9	0	0	0	114.7	T275 W276 L277 W282 Q349 R350 R353 Y354	T275-Y279 HydrophobicContact CG2-CD2 3.93Å; T275-Y279 HydrophobicContact CG2-CE2 3.9Å; T275-Y279 WeakPolarHBondContact O-CD2 3.42Å; T275-Y279 PolarHBondContact O-N 3.33Å; W276-Y279 PolarHBondContact O-N 3.14Å; L277-Y279 VanDerWaalsContact C-N 3.25Å; L277-Y279 PolarHBondContact O-N 3.25Å; Y279-W282 PolarHBondContact O-NE1 2.9Å; Y279-Q349 HydrophobicContact CE1-CB 4.32Å; Y279-R350 WeakPolarHBondContact O-CD 3.38Å; Y279-R353 HydrophobicContact CD2-CG 4.36Å; Y279-R353 HydrophobicContact CE2-CB 4.41Å; Y279-R353 HydrophobicContact CE2-CG 3.95Å; Y279-Y354 HydrophobicContact CD2-CE2 4.04Å; Y279-Y354 HydrophobicContact CG-CE2 4.21Å
280	T	89.6	Confident	88.6	Confident	23 Å²	23	58 Å²	58	14%	0.141	28%	0.282	C	S	.	.	H	α-helix	trans	-123.8	-34.6	-175.6	-51.7	0	0	0	0	112.7	W276 L277 W282 I283	W276-T280 HydrophobicContact CH2-CG2 4.14Å; W276-T280 HydrophobicContact CZ2-CG2 3.85Å; W276-T280 VanDerWaalsContact O-CB 3.24Å; W276-T280 WeakPolarHBondContact O-CB 3.4Å; W276-T280 PolarHBondContact O-N 3.3Å; W276-T280 PolarHBondContact O-OG1 3.43Å; L277-T280 PolarHBondContact O-N 2.9Å; T280-W282 PolarHBondContact O-N 3.43Å; T280-I283 HydrophobicContact CG2-CD1 4.18Å; T280-I283 WeakPolarHBondContact O-CB 3.49Å; T280-I283 WeakPolarHBondContact O-CG1 3.39Å; T280-I283 PolarHBondContact O-N 3.35Å
281	L	88.6	Confident	89.1	Confident	37 Å²	37	56.9 Å²	56.9	19%	0.194	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-27.7	-176.7	-79	173	0	0	0	114.2	F257 L277 I283 P284 L285	F257-L281 HydrophobicContact CB-CD1 3.76Å; F257-L281 HydrophobicContact CD1-CD1 4.04Å; F257-L281 HydrophobicContact CD2-CD1 3.18Å; F257-L281 HydrophobicContact CE1-CD1 4.46Å; F257-L281 HydrophobicContact CE2-CD1 3.69Å; F257-L281 HydrophobicContact CG-CD1 3.38Å; F257-L281 HydrophobicContact CZ-CD1 4.3Å; L277-L281 HydrophobicContact CB-CD1 3.82Å; L277-L281 HydrophobicContact CB-CG 4.22Å; L277-L281 HydrophobicContact CD2-CD1 4.13Å; L277-L281 HydrophobicContact CD2-CD2 4.25Å; L277-L281 HydrophobicContact CD2-CG 4.06Å; L277-L281 VanDerWaalsContact O-CB 3.24Å; L277-L281 WeakPolarHBondContact O-CB 3.37Å; L277-L281 VanDerWaalsContact O-CG 3.26Å; L277-L281 WeakPolarHBondContact O-CG 3.44Å; L277-L281 PolarHBondContact O-N 3.05Å; L281-I283 PolarHBondContact O-N 3.4Å; L281-P284 VanDerWaalsContact O-CD 3.26Å; L281-P284 WeakPolarHBondContact O-CD 3.47Å; L281-L285 HydrophobicContact CB-CD1 4.22Å; L281-L285 HydrophobicContact CD2-CD1 4.2Å; L281-L285 WeakPolarHBondContact O-CB 3.5Å; L281-L285 WeakPolarHBondContact O-CG 3.44Å; L281-L285 PolarHBondContact O-N 2.86Å; L281-L285 VanDerWaalsContact O-N 3.15Å
282	W	86.9	Confident	89.4	Confident	18 Å²	18	50.2 Å²	50.2	7%	0.068	25%	0.252	C	S	.	.	H	α-helix	trans	-63.9	-21	174.9	68.3	-93.3	0	0	0	112.6	Y279 T280 Y286 F343 L346	Y279-W282 PolarHBondContact O-NE1 2.9Å; T280-W282 PolarHBondContact O-N 3.43Å; W282-Y286 WeakPolarHBondContact O-CB 3.34Å; W282-Y286 PolarHBondContact O-N 3.32Å; W282-F343 HydrophobicContact CE3-CE1 4.26Å; W282-F343 HydrophobicContact CE3-CE2 4.23Å; W282-F343 AromaticContact CE3-CZ 3.99Å; W282-F343 HydrophobicContact CE3-CZ 3.99Å; W282-F343 AromaticContact CZ3-CD1 3.71Å; W282-F343 HydrophobicContact CZ3-CD1 3.71Å; W282-F343 HydrophobicContact CZ3-CD2 4.27Å; W282-F343 AromaticContact CZ3-CE1 3.61Å; W282-F343 HydrophobicContact CZ3-CE1 3.61Å; W282-F343 HydrophobicContact CZ3-CE2 4.18Å; W282-F343 HydrophobicContact CZ3-CG 4.01Å; W282-F343 AromaticContact CZ3-CZ 3.8Å; W282-F343 HydrophobicContact CZ3-CZ 3.8Å; W282-L346 HydrophobicContact CB-CD1 4.19Å; W282-L346 HydrophobicContact CD2-CB 3.81Å; W282-L346 HydrophobicContact CD2-CD1 3.87Å; W282-L346 HydrophobicContact CD2-CG 4.42Å; W282-L346 HydrophobicContact CE3-CB 3.96Å; W282-L346 HydrophobicContact CE3-CD1 3.82Å; W282-L346 HydrophobicContact CG-CB 4.45Å; W282-L346 HydrophobicContact CG-CD1 4.03Å; W282-L346 HydrophobicContact CH2-CB 4Å; W282-L346 HydrophobicContact CZ2-CB 3.85Å; W282-L346 HydrophobicContact CZ3-CB 4.05Å
283	I	88.6	Confident	89.7	Confident	65 Å²	65	42.6 Å²	42.6	33%	0.333	22%	0.219	S	C	.	.	H	α-helix	trans	-63.4	-53.5	-178.4	-61.4	169.6	0	0	0	111.3	T280 L281 P287	T280-I283 HydrophobicContact CG2-CD1 4.18Å; T280-I283 WeakPolarHBondContact O-CB 3.49Å; T280-I283 WeakPolarHBondContact O-CG1 3.39Å; T280-I283 PolarHBondContact O-N 3.35Å; L281-I283 PolarHBondContact O-N 3.4Å; I283-P287 WeakPolarHBondContact O-CD 3.38Å; I283-P287 VanDerWaalsContact O-CG 3.3Å; I283-P287 WeakPolarHBondContact O-CG 3.35Å
284	P	91.4	Very high	89.9	Confident	70 Å²	70	38.9 Å²	38.9	46%	0.455	20%	0.197	S	C	.	.	H	α-helix	trans	-81.5	-41.4	174.4	29.1	-35.5	0	0	0	113.6	L281 P287 L288	L281-P284 VanDerWaalsContact O-CD 3.26Å; L281-P284 WeakPolarHBondContact O-CD 3.47Å; P284-P287 WeakPolarHBondContact O-CD 3.41Å; P284-L288 WeakPolarHBondContact O-CD1 3.05Å; P284-L288 VanDerWaalsContact O-CG 3.26Å; P284-L288 WeakPolarHBondContact O-CG 3.5Å; P284-L288 PolarHBondContact O-N 2.85Å
285	L	90.1	Very high	90.1	Very high	28 Å²	28	41.3 Å²	41.3	15%	0.147	21%	0.21	C	C	.	.	H	α-helix	trans	-77.5	-31	-166.9	-66.7	174.2	0	0	0	113.2	L250 A253 I254 L281 G289	L250-L285 HydrophobicContact CD2-CD2 3.78Å; A253-L285 HydrophobicContact CB-CD1 4.39Å; I254-L285 HydrophobicContact CD1-CB 3.52Å; I254-L285 HydrophobicContact CG1-CB 3.42Å; I254-L285 VanDerWaalsContact CG1-CB 3.42Å; I254-L285 HydrophobicContact CG1-CD1 3.57Å; I254-L285 HydrophobicContact CG1-CG 4.1Å; L281-L285 HydrophobicContact CB-CD1 4.22Å; L281-L285 HydrophobicContact CD2-CD1 4.2Å; L281-L285 WeakPolarHBondContact O-CB 3.5Å; L281-L285 WeakPolarHBondContact O-CG 3.44Å; L281-L285 PolarHBondContact O-N 2.86Å; L281-L285 VanDerWaalsContact O-N 3.15Å; L285-G289 PolarHBondContact O-N 3.41Å
286	Y	88	Confident	90.4	Very high	32 Å²	32	40.9 Å²	40.9	13%	0.125	21%	0.207	C	C	.	.	H	α-helix	trans	-72.2	-44.4	-176.6	-140.8	-101.8	0	0	0	112.6	Q220 I254 W282 L288 G289 C290 L339 N342 F343	Q220-Y286 VanDerWaalsContact CD-OH 3.23Å; Q220-Y286 PolarHBondContact NE2-OH 2.88Å; Q220-Y286 VanDerWaalsContact NE2-OH 3.13Å; I254-Y286 HydrophobicContact CD1-CD2 4.09Å; W282-Y286 WeakPolarHBondContact O-CB 3.34Å; W282-Y286 PolarHBondContact O-N 3.32Å; Y286-L288 VanDerWaalsContact C-N 3.34Å; Y286-L288 PolarHBondContact O-N 2.89Å; Y286-G289 PolarHBondContact O-N 2.99Å; Y286-C290 PolarHBondContact O-N 3.23Å; Y286-L339 HydrophobicContact CD1-CD1 4.08Å; Y286-N342 HydrophobicContact CE1-CB 4.12Å; Y286-F343 HydrophobicContact CD1-CE2 4.23Å
287	P	90.8	Very high	90.5	Very high	45 Å²	45	34.8 Å²	34.8	29%	0.292	18%	0.184	S	C	.	.	H	α-helix	trans	-60.9	-41.5	171.1	-25.2	36.1	0	0	0	112.9	I283 P284 G289 C290 L291 F343	I283-P287 WeakPolarHBondContact O-CD 3.38Å; I283-P287 VanDerWaalsContact O-CG 3.3Å; I283-P287 WeakPolarHBondContact O-CG 3.35Å; P284-P287 WeakPolarHBondContact O-CD 3.41Å; P287-G289 VanDerWaalsContact C-N 3.34Å; P287-C290 PolarHBondContact O-N 3.48Å; P287-L291 VanDerWaalsContact O-CB 3.27Å; P287-L291 WeakPolarHBondContact O-CB 3.32Å; P287-L291 PolarHBondContact O-N 3.32Å; P287-F343 HydrophobicContact CG-CE1 4.18Å; P287-F343 HydrophobicContact CG-CE2 3.82Å; P287-F343 HydrophobicContact CG-CZ 3.26Å
288	L	91.9	Very high	90.6	Very high	86 Å²	86	37.6 Å²	37.6	45%	0.45	20%	0.198	S	C	.	.	H	α-helix	trans	-63.8	-42	177.1	-70.9	173.5	0	0	0	111	L250 P284 Y286 L291 A292	L250-L288 HydrophobicContact CD1-CB 3.85Å; L250-L288 WeakPolarHBondContact CD1-O 3.42Å; L250-L288 HydrophobicContact CD2-CB 4Å; L250-L288 HydrophobicContact CD2-CD1 4.44Å; P284-L288 WeakPolarHBondContact O-CD1 3.05Å; P284-L288 VanDerWaalsContact O-CG 3.26Å; P284-L288 WeakPolarHBondContact O-CG 3.5Å; P284-L288 PolarHBondContact O-N 2.85Å; Y286-L288 VanDerWaalsContact C-N 3.34Å; Y286-L288 PolarHBondContact O-N 2.89Å; L288-L291 PolarHBondContact O-N 3.4Å; L288-A292 WeakPolarHBondContact O-CB 3.46Å; L288-A292 PolarHBondContact O-N 2.78Å
289	G	91.6	Very high	90.6	Very high	5 Å²	5	38.1 Å²	38.1	5%	0.052	20%	0.203	C	C	.	.	H	α-helix	trans	-61.4	-50.2	175.9	0	0	0	0	0	111.7	L285 Y286 P287 L291 A292 E293	L285-G289 PolarHBondContact O-N 3.41Å; Y286-G289 PolarHBondContact O-N 2.99Å; P287-G289 VanDerWaalsContact C-N 3.34Å; G289-L291 VanDerWaalsContact C-N 3.29Å; G289-L291 PolarHBondContact O-N 3.39Å; G289-A292 PolarHBondContact O-N 2.86Å; G289-E293 WeakPolarHBondContact O-CG 3.39Å; G289-E293 PolarHBondContact O-N 3.28Å
290	C	90.6	Very high	90.7	Very high	15 Å²	15	36.7 Å²	36.7	10%	0.101	20%	0.197	C	C	.	.	H	α-helix	trans	-63.2	-34.5	176.5	-70.7	0	0	0	0	112.8	Y286 P287 A294 I335 L339	Y286-C290 PolarHBondContact O-N 3.23Å; P287-C290 PolarHBondContact O-N 3.48Å; C290-A294 VanDerWaalsContact O-CB 3.28Å; C290-A294 WeakPolarHBondContact O-CB 3.29Å; C290-A294 PolarHBondContact O-N 3.34Å; C290-I335 HydrophobicContact CB-CG2 4.11Å; C290-L339 HydrophobicContact CB-CD1 4.18Å; C290-L339 HydrophobicContact CB-CD2 4.43Å
291	L	92.9	Very high	90.5	Very high	92 Å²	92	36.9 Å²	36.9	48%	0.482	20%	0.197	S	C	.	.	H	α-helix	trans	-65.7	-45.2	174.2	-177.7	66.5	0	0	0	111	P287 L288 G289 E293 A294 I295	P287-L291 VanDerWaalsContact O-CB 3.27Å; P287-L291 WeakPolarHBondContact O-CB 3.32Å; P287-L291 PolarHBondContact O-N 3.32Å; L288-L291 PolarHBondContact O-N 3.4Å; G289-L291 VanDerWaalsContact C-N 3.29Å; G289-L291 PolarHBondContact O-N 3.39Å; L291-E293 VanDerWaalsContact C-N 3.35Å; L291-A294 PolarHBondContact O-N 2.93Å; L291-I295 HydrophobicContact CD1-CD1 4.26Å; L291-I295 HydrophobicContact CD1-CG1 4.49Å; L291-I295 HydrophobicContact CG-CD1 3.93Å; L291-I295 WeakPolarHBondContact O-CB 3.49Å; L291-I295 WeakPolarHBondContact O-CG1 3.43Å; L291-I295 PolarHBondContact O-N 2.99Å
292	A	92.9	Very high	90.3	Very high	8 Å²	8	38 Å²	38	7%	0.066	21%	0.207	C	C	.	.	H	α-helix	trans	-62.5	-42.1	176.6	0	0	0	0	0	111.6	V243 F246 V247 L250 L288 G289 I295 S296	V243-A292 WeakPolarHBondContact CG1-O 3.46Å; F246-A292 HydrophobicContact CB-CB 4.28Å; V247-A292 HydrophobicContact CG2-CB 3.71Å; L250-A292 HydrophobicContact CD1-CB 4.11Å; L288-A292 WeakPolarHBondContact O-CB 3.46Å; L288-A292 PolarHBondContact O-N 2.78Å; G289-A292 PolarHBondContact O-N 2.86Å; A292-I295 PolarHBondContact O-N 3.48Å; A292-S296 PolarHBondContact O-N 3.36Å
293	E	92.8	Very high	90.1	Very high	20 Å²	20	37.6 Å²	37.6	9%	0.093	21%	0.206	C	C	.	.	H	α-helix	trans	-61.3	-47.3	173.1	-70.8	172.5	-170.6	0	0	111.4	I227 W251 G289 L291 I295 S296 V297 I335	I227-E293 HydrophobicContact CD1-CB 4.25Å; I227-E293 HydrophobicContact CG1-CB 4.37Å; I227-E293 HydrophobicContact CG1-CG 4.14Å; W251-E293 HydrophobicContact CZ2-CG 4.16Å; W251-E293 WeakPolarHBondContact CZ2-OE1 3.28Å; W251-E293 PolarHBondContact NE1-OE1 2.84Å; G289-E293 WeakPolarHBondContact O-CG 3.39Å; G289-E293 PolarHBondContact O-N 3.28Å; L291-E293 VanDerWaalsContact C-N 3.35Å; E293-I295 PolarHBondContact O-N 2.7Å; E293-S296 WeakPolarHBondContact O-CB 3.39Å; E293-S296 PolarHBondContact O-N 3.07Å; E293-S296 VanDerWaalsContact O-N 3.11Å; E293-S296 PolarHBondContact O-OG 3.17Å; E293-V297 WeakPolarHBondContact O-CG2 3.27Å; E293-V297 PolarHBondContact O-N 3.42Å; E293-I335 HydrophobicContact CB-CD1 4.45Å
294	A	92.7	Very high	89.7	Confident	3 Å²	3	34.6 Å²	34.6	3%	0.025	19%	0.19	C	C	.	.	H	α-helix	trans	-61.9	-42.1	177.9	0	0	0	0	0	112	C290 L291 S296 V297 I298 F336	C290-A294 VanDerWaalsContact O-CB 3.28Å; C290-A294 WeakPolarHBondContact O-CB 3.29Å; C290-A294 PolarHBondContact O-N 3.34Å; L291-A294 PolarHBondContact O-N 2.93Å; A294-S296 VanDerWaalsContact C-N 3.29Å; A294-S296 PolarHBondContact O-N 3.31Å; A294-V297 PolarHBondContact O-N 2.81Å; A294-I298 VanDerWaalsContact O-CG1 3.29Å; A294-I298 WeakPolarHBondContact O-CG1 3.49Å; A294-I298 PolarHBondContact O-N 2.9Å; A294-F336 HydrophobicContact CB-CE2 4.34Å; A294-F336 HydrophobicContact CB-CZ 4.19Å
295	I	92.6	Very high	89.1	Confident	63 Å²	63	34.6 Å²	34.6	32%	0.323	19%	0.187	S	C	.	.	H	α-helix	trans	-62.2	-39.7	174.7	-68	166.9	0	0	0	110.3	V243 L291 A292 E293 V297 I298 Q299	V243-I295 HydrophobicContact CG1-CG2 4.28Å; V243-I295 HydrophobicContact CG2-CG2 3.74Å; L291-I295 HydrophobicContact CD1-CD1 4.26Å; L291-I295 HydrophobicContact CD1-CG1 4.49Å; L291-I295 HydrophobicContact CG-CD1 3.93Å; L291-I295 WeakPolarHBondContact O-CB 3.49Å; L291-I295 WeakPolarHBondContact O-CG1 3.43Å; L291-I295 PolarHBondContact O-N 2.99Å; A292-I295 PolarHBondContact O-N 3.48Å; E293-I295 PolarHBondContact O-N 2.7Å; I295-V297 VanDerWaalsContact C-N 3.33Å; I295-V297 PolarHBondContact O-N 3.47Å; I295-I298 PolarHBondContact O-N 3.39Å; I295-Q299 HydrophobicContact CG2-CG 4.29Å; I295-Q299 VanDerWaalsContact CG2-NE2 3.28Å; I295-Q299 WeakPolarHBondContact O-CB 3.23Å; I295-Q299 WeakPolarHBondContact O-CG 3.17Å; I295-Q299 PolarHBondContact O-N 3.22Å
296	S	92.3	Very high	88.5	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.3	-41.8	176.9	79.1	0	0	0	0	111.9	M238 A292 E293 A294 Q299 S300	M238-S296 VanDerWaalsContact CE-O 3.29Å; M238-S296 WeakPolarHBondContact CE-O 3.36Å; A292-S296 PolarHBondContact O-N 3.36Å; E293-S296 WeakPolarHBondContact O-CB 3.39Å; E293-S296 PolarHBondContact O-N 3.07Å; E293-S296 VanDerWaalsContact O-N 3.11Å; E293-S296 PolarHBondContact O-OG 3.17Å; A294-S296 VanDerWaalsContact C-N 3.29Å; A294-S296 PolarHBondContact O-N 3.31Å; S296-Q299 PolarHBondContact O-N 2.99Å; S296-S300 WeakPolarHBondContact O-CB 3.36Å; S296-S300 PolarHBondContact O-N 3.48Å; S296-S300 PolarHBondContact O-OG 3.33Å
297	V	91.6	Very high	87.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-66	-46.1	176.1	175.8	0	0	0	0	111.1	I227 I231 E293 A294 I295 Q299 S300 I301 L328 Y331 L332 I335	I227-V297 HydrophobicContact CD1-CG2 3.76Å; I231-V297 HydrophobicContact CD1-CB 4.33Å; I231-V297 HydrophobicContact CD1-CG2 3.51Å; E293-V297 WeakPolarHBondContact O-CG2 3.27Å; E293-V297 PolarHBondContact O-N 3.42Å; A294-V297 PolarHBondContact O-N 2.81Å; I295-V297 VanDerWaalsContact C-N 3.33Å; I295-V297 PolarHBondContact O-N 3.47Å; V297-Q299 VanDerWaalsContact C-N 3.29Å; V297-Q299 PolarHBondContact O-N 3.22Å; V297-S300 PolarHBondContact O-N 3.09Å; V297-S300 VanDerWaalsContact O-N 3.17Å; V297-S300 PolarHBondContact O-OG 3.32Å; V297-I301 WeakPolarHBondContact O-CG1 3.33Å; V297-I301 PolarHBondContact O-N 3.31Å; V297-I301 VanDerWaalsContact O-N 3.13Å; V297-L328 HydrophobicContact CG1-CB 4.08Å; V297-L328 HydrophobicContact CG1-CD2 4.26Å; V297-Y331 HydrophobicContact CG1-CD1 4.42Å; V297-Y331 HydrophobicContact CG2-CD1 3.8Å; V297-Y331 HydrophobicContact CG2-CE1 3.69Å; V297-L332 HydrophobicContact CG1-CB 4.48Å; V297-L332 HydrophobicContact CG1-CD1 4.29Å; V297-I335 HydrophobicContact CG2-CD1 4.25Å
298	I	90.8	Very high	86.4	Confident	96 Å²	96	41.2 Å²	41.2	49%	0.492	23%	0.227	S	C	.	.	H	α-helix	trans	-60	-43.9	179.3	-68.5	165.8	0	0	0	110.4	A294 I295 S300 I301 P302 L332	A294-I298 VanDerWaalsContact O-CG1 3.29Å; A294-I298 WeakPolarHBondContact O-CG1 3.49Å; A294-I298 PolarHBondContact O-N 2.9Å; I295-I298 PolarHBondContact O-N 3.39Å; I298-S300 VanDerWaalsContact C-N 3.29Å; I298-S300 PolarHBondContact O-N 3.24Å; I298-I301 PolarHBondContact O-N 2.83Å; I298-P302 WeakPolarHBondContact O-CD 3.43Å; I298-L332 HydrophobicContact CD1-CD1 3.91Å; I298-L332 HydrophobicContact CG1-CD1 3.43Å; I298-L332 VanDerWaalsContact CG1-CD1 3.43Å
299	Q	90.1	Very high	85.1	Confident	64 Å²	64	43.7 Å²	43.7	30%	0.299	23%	0.231	S	C	.	.	H	α-helix	trans	-72	-21.4	-179.9	-71.8	-173	24	0	0	113.6	M238 K241 V243 I295 S296 V297	M238-Q299 HydrophobicContact CE-CB 4.11Å; M238-Q299 HydrophobicContact SD-CB 4.27Å; K241-Q299 HydrophobicContact CD-CB 4.46Å; K241-Q299 PolarHBondContact NZ-O 3.12Å; V243-Q299 VanDerWaalsContact CG2-NE2 3.34Å; I295-Q299 HydrophobicContact CG2-CG 4.29Å; I295-Q299 VanDerWaalsContact CG2-NE2 3.28Å; I295-Q299 WeakPolarHBondContact O-CB 3.23Å; I295-Q299 WeakPolarHBondContact O-CG 3.17Å; I295-Q299 PolarHBondContact O-N 3.22Å; S296-Q299 PolarHBondContact O-N 2.99Å; V297-Q299 VanDerWaalsContact C-N 3.29Å; V297-Q299 PolarHBondContact O-N 3.22Å
300	S	87.6	Confident	83.6	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-84.1	-27.4	176.5	73.2	0	0	0	0	113	S296 V297 I298 I303 F304	S296-S300 WeakPolarHBondContact O-CB 3.36Å; S296-S300 PolarHBondContact O-N 3.48Å; S296-S300 PolarHBondContact O-OG 3.33Å; V297-S300 PolarHBondContact O-N 3.09Å; V297-S300 VanDerWaalsContact O-N 3.17Å; V297-S300 PolarHBondContact O-OG 3.32Å; I298-S300 VanDerWaalsContact C-N 3.29Å; I298-S300 PolarHBondContact O-N 3.24Å; S300-I303 PolarHBondContact O-N 3.32Å; S300-F304 VanDerWaalsContact O-CD2 3.29Å; S300-F304 WeakPolarHBondContact O-CD2 3.48Å; S300-F304 PolarHBondContact O-N 2.87Å
301	I	86.1	Confident	82.2	Confident	28 Å²	28	49.2 Å²	49.2	14%	0.144	26%	0.256	C	S	.	.	H	α-helix	trans	-51.5	-51.9	178.8	-72	165.8	0	0	0	113.9	V297 I298 I303 F304 N305 L328 Q329	V297-I301 WeakPolarHBondContact O-CG1 3.33Å; V297-I301 PolarHBondContact O-N 3.31Å; V297-I301 VanDerWaalsContact O-N 3.13Å; I298-I301 PolarHBondContact O-N 2.83Å; I301-I303 VanDerWaalsContact C-N 3.31Å; I301-I303 PolarHBondContact O-N 3.13Å; I301-F304 PolarHBondContact O-N 3.34Å; I301-N305 PolarHBondContact O-N 3.31Å; I301-N305 PolarHBondContact O-ND2 3.37Å; I301-L328 HydrophobicContact CD1-CB 4.38Å; I301-L328 HydrophobicContact CG1-CB 3.94Å; I301-L328 HydrophobicContact CG1-CD1 3.92Å; I301-Q329 HydrophobicContact CD1-CG 4.38Å
302	P	84.5	Confident	80.7	Confident	61 Å²	61	51.8 Å²	51.8	40%	0.396	26%	0.264	S	S	.	.	H	α-helix	trans	-62.3	-41.1	-180	23	-32.2	0	0	0	111.4	I298 F304 N305 E306	I298-P302 WeakPolarHBondContact O-CD 3.43Å; P302-F304 PolarHBondContact O-N 2.56Å; P302-N305 WeakPolarHBondContact O-CB 3.2Å; P302-N305 PolarHBondContact O-N 2.94Å; P302-N305 VanDerWaalsContact O-N 3.11Å; P302-E306 WeakPolarHBondContact O-CG 3.36Å; P302-E306 PolarHBondContact O-N 3.16Å
303	I	81.4	Confident	79.2	Confident	9 Å²	9	56.3 Å²	56.3	5%	0.046	29%	0.29	C	S	.	.	H	α-helix	trans	-67.5	-36.9	-179.4	-49.4	170.9	0	0	0	111	M235 E237 M238 S300 I301 N305 E306 T307	M235-I303 HydrophobicContact CE-CB 3.42Å; M235-I303 VanDerWaalsContact CE-CB 3.42Å; M235-I303 HydrophobicContact CE-CG2 3.2Å; E237-I303 HydrophobicContact CB-CD1 4.07Å; E237-I303 HydrophobicContact CB-CG2 4.42Å; E237-I303 VanDerWaalsContact OE2-CG2 3.23Å; E237-I303 WeakPolarHBondContact OE2-CG2 3.3Å; M238-I303 HydrophobicContact CG-CD1 4Å; M238-I303 HydrophobicContact SD-CD1 3.64Å; S300-I303 PolarHBondContact O-N 3.32Å; I301-I303 VanDerWaalsContact C-N 3.31Å; I301-I303 PolarHBondContact O-N 3.13Å; I303-N305 VanDerWaalsContact C-N 3.33Å; I303-N305 PolarHBondContact O-N 2.68Å; I303-E306 PolarHBondContact O-N 3.08Å; I303-T307 HydrophobicContact CG2-CG2 4.08Å; I303-T307 WeakPolarHBondContact O-CB 3.41Å; I303-T307 VanDerWaalsContact O-CG2 3.3Å; I303-T307 WeakPolarHBondContact O-CG2 3.49Å; I303-T307 PolarHBondContact O-N 2.91Å; I303-T307 PolarHBondContact O-OG1 2.83Å
304	F	81.1	Confident	77.5	Confident	1 Å²	1	59.9 Å²	59.9	0%	0.004	31%	0.31	C	S	.	.	H	α-helix	trans	-67.4	-32.9	173.1	-87.2	-66.6	0	0	0	112.9	I230 M235 S300 I301 P302 G308 F310 F324 L328	I230-F304 HydrophobicContact CG2-CZ 4.46Å; M235-F304 HydrophobicContact CE-CD1 4.2Å; M235-F304 HydrophobicContact CE-CD2 3.89Å; M235-F304 HydrophobicContact CE-CE1 4.28Å; M235-F304 HydrophobicContact CE-CE2 4.02Å; M235-F304 HydrophobicContact CE-CG 3.99Å; M235-F304 HydrophobicContact CE-CZ 4.2Å; M235-F304 HydrophobicContact CG-CE1 4.42Å; M235-F304 HydrophobicContact CG-CE2 4.37Å; M235-F304 HydrophobicContact CG-CZ 3.99Å; M235-F304 HydrophobicContact SD-CD1 4.36Å; M235-F304 HydrophobicContact SD-CD2 3.61Å; M235-F304 HydrophobicContact SD-CE1 3.95Å; M235-F304 HydrophobicContact SD-CE2 3.14Å; M235-F304 WeakPolarHBondContact SD-CE2 3.45Å; M235-F304 HydrophobicContact SD-CG 4.21Å; M235-F304 HydrophobicContact SD-CZ 3.33Å; M235-F304 WeakPolarHBondContact SD-CZ 3.44Å; S300-F304 VanDerWaalsContact O-CD2 3.29Å; S300-F304 WeakPolarHBondContact O-CD2 3.48Å; S300-F304 PolarHBondContact O-N 2.87Å; I301-F304 PolarHBondContact O-N 3.34Å; P302-F304 PolarHBondContact O-N 2.56Å; F304-G308 PolarHBondContact O-N 2.8Å; F304-G308 VanDerWaalsContact O-N 3.1Å; F304-F310 HydrophobicContact CE1-CD2 4.04Å; F304-F310 HydrophobicContact CE1-CE2 4.41Å; F304-F324 HydrophobicContact CB-CD1 4.41Å; F304-F324 AromaticContact CD1-CD1 3.7Å; F304-F324 HydrophobicContact CD1-CD1 3.7Å; F304-F324 HydrophobicContact CD1-CE1 4.16Å; F304-F324 HydrophobicContact CD2-CD1 4.11Å; F304-F324 HydrophobicContact CD2-CE1 4.18Å; F304-F324 AromaticContact CE1-CD1 3.89Å; F304-F324 HydrophobicContact CE1-CD1 3.89Å; F304-F324 AromaticContact CE1-CE1 3.9Å; F304-F324 HydrophobicContact CE1-CE1 3.9Å; F304-F324 HydrophobicContact CE2-CD1 4.25Å; F304-F324 AromaticContact CE2-CE1 3.89Å; F304-F324 HydrophobicContact CE2-CE1 3.89Å; F304-F324 AromaticContact CG-CD1 3.82Å; F304-F324 HydrophobicContact CG-CD1 3.82Å; F304-F324 HydrophobicContact CG-CE1 4.3Å; F304-F324 HydrophobicContact CZ-CD1 4.16Å; F304-F324 AromaticContact CZ-CE1 3.76Å; F304-F324 HydrophobicContact CZ-CE1 3.76Å; F304-L328 HydrophobicContact CB-CD1 4.43Å; F304-L328 HydrophobicContact CD2-CD1 3.53Å; F304-L328 HydrophobicContact CE2-CD1 4.06Å; F304-L328 HydrophobicContact CG-CD1 4.2Å
305	N	79.3	Confident	75.9	Confident	71 Å²	71	65.1 Å²	65.1	38%	0.38	34%	0.344	S	S	.	.	H	α-helix	trans	-67.5	-38.5	174.2	-75.4	-40.5	0	0	0	112	I301 P302 I303 S325	I301-N305 PolarHBondContact O-N 3.31Å; I301-N305 PolarHBondContact O-ND2 3.37Å; P302-N305 WeakPolarHBondContact O-CB 3.2Å; P302-N305 PolarHBondContact O-N 2.94Å; P302-N305 VanDerWaalsContact O-N 3.11Å; I303-N305 VanDerWaalsContact C-N 3.33Å; I303-N305 PolarHBondContact O-N 2.68Å; N305-S325 PolarHBondContact ND2-OG 2.82Å; N305-S325 WeakPolarHBondContact OD1-CB 3.48Å; N305-S325 PolarHBondContact OD1-OG 2.73Å
306	E	77.1	Confident	73.8	Confident	153 Å²	153	71.5 Å²	71.5	72%	0.715	37%	0.365	S	S	*	.	H	α-helix	trans	-74.3	-46.4	179.9	-72.5	174.3	-168.8	0	0	112	P302 I303 G308	P302-E306 WeakPolarHBondContact O-CG 3.36Å; P302-E306 PolarHBondContact O-N 3.16Å; I303-E306 PolarHBondContact O-N 3.08Å; E306-G308 VanDerWaalsContact C-N 3.32Å; E306-G308 PolarHBondContact O-N 2.9Å
307	T	71.1	Confident	72.2	Confident	55 Å²	55	76.3 Å²	76.3	34%	0.337	40%	0.396	S	S	.	.	H	α-helix	trans	-74.1	-21	-179	56.8	0	0	0	0	113.5	I303 R309	I303-T307 HydrophobicContact CG2-CG2 4.08Å; I303-T307 WeakPolarHBondContact O-CB 3.41Å; I303-T307 VanDerWaalsContact O-CG2 3.3Å; I303-T307 WeakPolarHBondContact O-CG2 3.49Å; I303-T307 PolarHBondContact O-N 2.91Å; I303-T307 PolarHBondContact O-OG1 2.83Å; T307-R309 PolarHBondContact O-N 3.26Å
308	G	63.6	Low	70.7	Confident	35 Å²	35	79.9 Å²	79.9	36%	0.361	42%	0.418	S	S	.	.			trans	66.3	5.2	178.6	0	0	0	0	0	115.3	F304 E306 S311	F304-G308 PolarHBondContact O-N 2.8Å; F304-G308 VanDerWaalsContact O-N 3.1Å; E306-G308 VanDerWaalsContact C-N 3.32Å; E306-G308 PolarHBondContact O-N 2.9Å; G308-S311 WeakPolarHBondContact O-CB 3.34Å; G308-S311 PolarHBondContact O-N 3.25Å; G308-S311 PolarHBondContact O-OG 3.11Å
309	R	63.8	Low	69.2	Low	139 Å²	139	84.3 Å²	84.3	53%	0.525	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	140.7	-178.6	-66.7	-177.8	179.7	175.3	1.1	110.7	T234 T307 S311	T234-R309 PolarHBondContact O-NH1 3.03Å; T307-R309 PolarHBondContact O-N 3.26Å; R309-S311 PolarHBondContact O-N 2.87Å
310	F	60.9	Low	68.2	Low	100 Å²	100	85.9 Å²	85.9	44%	0.439	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	16.1	-177.1	-54.2	-74.8	0	0	0	116.7	T234 F304 F312 F324	T234-F310 HydrophobicContact CG2-CE2 4.29Å; T234-F310 HydrophobicContact CG2-CZ 4.42Å; F304-F310 HydrophobicContact CE1-CD2 4.04Å; F304-F310 HydrophobicContact CE1-CE2 4.41Å; F310-F312 WeakPolarHBondContact O-CD2 3.26Å; F310-F324 HydrophobicContact CB-CB 4.13Å; F310-F324 HydrophobicContact CB-CD2 3.88Å; F310-F324 HydrophobicContact CB-CE2 4.47Å; F310-F324 HydrophobicContact CB-CG 3.95Å
311	S	62.3	Low	67.1	Low	36 Å²	36	91.8 Å²	91.8	25%	0.252	47%	0.469	S	S	.	.			trans	-79.9	121.8	171.2	-64.8	0	0	0	0	110.5	G308 R309	G308-S311 WeakPolarHBondContact O-CB 3.34Å; G308-S311 PolarHBondContact O-N 3.25Å; G308-S311 PolarHBondContact O-OG 3.11Å; R309-S311 PolarHBondContact O-N 2.87Å
312	F	61.1	Low	66.2	Low	146 Å²	146	93.6 Å²	93.6	64%	0.64	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103	131.5	176.4	-65.8	-80.9	0	0	0	110.6	F310 V322	F310-F312 WeakPolarHBondContact O-CD2 3.26Å; F312-V322 PolarHBondContact N-O 3.22Å; F312-V322 PolarHBondContact O-N 2.96Å
313	T	61.1	Low	65.6	Low	102 Å²	102	97.7 Å²	97.7	63%	0.626	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	114	167	51.5	0	0	0	0	107.9	K321	T313-K321 HydrophobicContact CG2-CB 4.22Å; T313-K321 HydrophobicContact CG2-CG 4.02Å
314	L	57.4	Low	65.5	Low	96 Å²	96	98.6 Å²	98.6	50%	0.503	49%	0.492	S	S	.	.			trans	-66.3	132.9	172.8	-105.1	78.7	0	0	0	109.7	I320	L314-I320 PolarHBondContact N-O 2.98Å
315	P	57.5	Low	65.4	Low	113 Å²	113	99 Å²	99	73%	0.734	50%	0.495	S	S	*	.			trans	-69.3	162.2	167.2	1.4	11.2	0	0	0	111.3
316	Y	49.4	Very low	65.4	Low	196 Å²	196	101.6 Å²	101.6	77%	0.769	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-40.4	141.5	-173.7	-157	-98.9	0	0	0	114.3
317	P	58.4	Low	65.8	Low	102 Å²	102	99.3 Å²	99.3	66%	0.662	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	cis	-94	-4	21.1	33.8	-34	0	0	0	117.3
318	V	60.2	Low	66.5	Low	75 Å²	75	96.7 Å²	96.7	46%	0.455	48%	0.475	S	S	.	.			trans	-117.9	98.6	-178.6	-119.8	0	0	0	0	109.4	I320	V318-I320 HydrophobicContact CB-CD1 3.99Å; V318-I320 HydrophobicContact CB-CG1 4.05Å; V318-I320 HydrophobicContact CG1-CD1 3.54Å; V318-I320 HydrophobicContact CG1-CG1 3.84Å; V318-I320 PolarHBondContact O-N 2.95Å
319	K	59	Low	67.5	Low	188 Å²	188	100 Å²	100	82%	0.817	48%	0.481	S	S	*	.			trans	-71.6	52.6	173.6	-68.8	-177.5	-179.9	178.1	0	111.5
320	I	69.4	Low	68.6	Low	97 Å²	97	97.1 Å²	97.1	50%	0.497	48%	0.475	S	S	.	.			trans	-87.9	117.2	178.1	-60.4	174.9	0	0	0	107.6	L314 V318 V322	L314-I320 PolarHBondContact N-O 2.98Å; V318-I320 HydrophobicContact CB-CD1 3.99Å; V318-I320 HydrophobicContact CB-CG1 4.05Å; V318-I320 HydrophobicContact CG1-CD1 3.54Å; V318-I320 HydrophobicContact CG1-CG1 3.84Å; V318-I320 PolarHBondContact O-N 2.95Å; I320-V322 HydrophobicContact CG2-CG2 3.96Å; I320-V322 PolarHBondContact O-N 2.93Å
321	K	65.1	Low	70	Confident	125 Å²	125	93.9 Å²	93.9	54%	0.543	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	98.8	168.4	-175.9	176	-178.2	177.5	0	108	T313 R323	T313-K321 HydrophobicContact CG2-CB 4.22Å; T313-K321 HydrophobicContact CG2-CG 4.02Å; K321-R323 PolarHBondContact O-N 3.12Å
322	V	67.4	Low	71.3	Confident	66 Å²	66	94 Å²	94	40%	0.4	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	106.6	174.4	-177.1	0	0	0	0	107.6	F312 I320	F312-V322 PolarHBondContact N-O 3.22Å; F312-V322 PolarHBondContact O-N 2.96Å; I320-V322 HydrophobicContact CG2-CG2 3.96Å; I320-V322 PolarHBondContact O-N 2.93Å
323	R	72.2	Confident	72.6	Confident	146 Å²	146	92.5 Å²	92.5	55%	0.551	46%	0.455	S	S	*	.			trans	-76.1	139.1	175	-61.6	-178.9	-170.6	177.8	1	109.2	K321 S325 F326	K321-R323 PolarHBondContact O-N 3.12Å; R323-S325 PolarHBondContact O-N 2.88Å; R323-S325 VanDerWaalsContact O-N 3.07Å; R323-F326 WeakPolarHBondContact O-CB 3.36Å; R323-F326 PolarHBondContact O-N 2.77Å
324	F	78.5	Confident	73.8	Confident	28 Å²	28	92.8 Å²	92.8	12%	0.123	45%	0.451	C	S	.	.	H	α-helix	trans	-56.8	-26	176.7	-173.9	-115.3	0	0	0	113.1	F226 I230 F304 F310 F326 F327 L328	F226-F324 HydrophobicContact CE2-CZ 4.3Å; F226-F324 HydrophobicContact CZ-CZ 4.01Å; I230-F324 HydrophobicContact CG2-CE1 4.29Å; I230-F324 HydrophobicContact CG2-CZ 3.95Å; F304-F324 HydrophobicContact CB-CD1 4.41Å; F304-F324 AromaticContact CD1-CD1 3.7Å; F304-F324 HydrophobicContact CD1-CD1 3.7Å; F304-F324 HydrophobicContact CD1-CE1 4.16Å; F304-F324 HydrophobicContact CD2-CD1 4.11Å; F304-F324 HydrophobicContact CD2-CE1 4.18Å; F304-F324 AromaticContact CE1-CD1 3.89Å; F304-F324 HydrophobicContact CE1-CD1 3.89Å; F304-F324 AromaticContact CE1-CE1 3.9Å; F304-F324 HydrophobicContact CE1-CE1 3.9Å; F304-F324 HydrophobicContact CE2-CD1 4.25Å; F304-F324 AromaticContact CE2-CE1 3.89Å; F304-F324 HydrophobicContact CE2-CE1 3.89Å; F304-F324 AromaticContact CG-CD1 3.82Å; F304-F324 HydrophobicContact CG-CD1 3.82Å; F304-F324 HydrophobicContact CG-CE1 4.3Å; F304-F324 HydrophobicContact CZ-CD1 4.16Å; F304-F324 AromaticContact CZ-CE1 3.76Å; F304-F324 HydrophobicContact CZ-CE1 3.76Å; F310-F324 HydrophobicContact CB-CB 4.13Å; F310-F324 HydrophobicContact CB-CD2 3.88Å; F310-F324 HydrophobicContact CB-CE2 4.47Å; F310-F324 HydrophobicContact CB-CG 3.95Å; F324-F326 PolarHBondContact O-N 2.89Å; F324-F327 HydrophobicContact CD2-CB 4.25Å; F324-F327 HydrophobicContact CD2-CD1 4.38Å; F324-F327 HydrophobicContact CE2-CB 4.36Å; F324-F327 AromaticContact CE2-CD1 3.66Å; F324-F327 HydrophobicContact CE2-CD1 3.66Å; F324-F327 HydrophobicContact CE2-CE1 4.35Å; F324-F327 HydrophobicContact CE2-CG 4.23Å; F324-F327 HydrophobicContact CZ-CD1 4.06Å; F324-F327 WeakPolarHBondContact O-CA 3.34Å; F324-F327 WeakPolarHBondContact O-CB 3.36Å; F324-F327 PolarHBondContact O-N 2.8Å; F324-L328 HydrophobicContact CD1-CD1 3.83Å; F324-L328 HydrophobicContact CD1-CD2 4.48Å; F324-L328 HydrophobicContact CD1-CG 3.96Å; F324-L328 HydrophobicContact CE1-CD1 3.82Å; F324-L328 HydrophobicContact CE1-CD2 3.75Å; F324-L328 HydrophobicContact CE1-CG 3.72Å; F324-L328 HydrophobicContact CZ-CD2 4.09Å; F324-L328 HydrophobicContact CZ-CG 4.31Å; F324-L328 PolarHBondContact O-N 2.83Å
325	S	78.2	Confident	75.3	Confident	9 Å²	9	88.9 Å²	88.9	6%	0.063	43%	0.43	C	S	.	.	H	α-helix	trans	-56	-31	173.7	-57	0	0	0	0	114.6	N305 R323 L328 Q329	N305-S325 PolarHBondContact ND2-OG 2.82Å; N305-S325 WeakPolarHBondContact OD1-CB 3.48Å; N305-S325 PolarHBondContact OD1-OG 2.73Å; R323-S325 PolarHBondContact O-N 2.88Å; R323-S325 VanDerWaalsContact O-N 3.07Å; S325-L328 PolarHBondContact O-N 2.93Å; S325-Q329 VanDerWaalsContact O-CG 3.31Å; S325-Q329 WeakPolarHBondContact O-CG 3.29Å; S325-Q329 PolarHBondContact O-N 2.74Å
326	F	81	Confident	76.7	Confident	127 Å²	127	88.4 Å²	88.4	56%	0.557	42%	0.417	S	S	*	.	H	α-helix	trans	-67.2	-40.4	174.1	-179.6	-105	0	0	0	111.5	R323 F324 Q329 I330	R323-F326 WeakPolarHBondContact O-CB 3.36Å; R323-F326 PolarHBondContact O-N 2.77Å; F324-F326 PolarHBondContact O-N 2.89Å; F326-Q329 PolarHBondContact O-N 2.9Å; F326-I330 HydrophobicContact CD1-CD1 3.89Å; F326-I330 HydrophobicContact CE1-CD1 3.37Å; F326-I330 HydrophobicContact CE1-CG1 4.37Å; F326-I330 HydrophobicContact CZ-CD1 3.74Å; F326-I330 HydrophobicContact CZ-CG1 4.42Å; F326-I330 PolarHBondContact O-N 2.77Å; F326-I330 VanDerWaalsContact O-N 3.1Å
327	F	84.3	Confident	78.5	Confident	104 Å²	104	83.4 Å²	83.4	46%	0.456	40%	0.403	S	S	.	.	H	α-helix	trans	-63.8	-42.3	174.5	-179.8	-90.7	0	0	0	111.4	F226 F324 Q329 I330 Y331	F226-F327 HydrophobicContact CE2-CD1 4.39Å; F226-F327 AromaticContact CE2-CE1 3.56Å; F226-F327 HydrophobicContact CE2-CE1 3.56Å; F226-F327 HydrophobicContact CE2-CZ 4.43Å; F226-F327 HydrophobicContact CZ-CD1 4.15Å; F226-F327 AromaticContact CZ-CE1 3.65Å; F226-F327 HydrophobicContact CZ-CE1 3.65Å; F324-F327 HydrophobicContact CD2-CB 4.25Å; F324-F327 HydrophobicContact CD2-CD1 4.38Å; F324-F327 HydrophobicContact CE2-CB 4.36Å; F324-F327 AromaticContact CE2-CD1 3.66Å; F324-F327 HydrophobicContact CE2-CD1 3.66Å; F324-F327 HydrophobicContact CE2-CE1 4.35Å; F324-F327 HydrophobicContact CE2-CG 4.23Å; F324-F327 HydrophobicContact CZ-CD1 4.06Å; F324-F327 WeakPolarHBondContact O-CA 3.34Å; F324-F327 WeakPolarHBondContact O-CB 3.36Å; F324-F327 PolarHBondContact O-N 2.8Å; F327-Q329 VanDerWaalsContact C-N 3.32Å; F327-Q329 PolarHBondContact O-N 2.86Å; F327-I330 PolarHBondContact O-N 2.82Å; F327-Y331 WeakPolarHBondContact O-CB 3.44Å; F327-Y331 PolarHBondContact O-N 2.97Å
328	L	85.3	Confident	79.7	Confident	0 Å²	0	79.5 Å²	79.5	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-62.7	-36.5	175.8	-68.7	175	0	0	0	112.8	F226 V297 I301 F304 F324 S325 Y331 L332	F226-L328 HydrophobicContact CE1-CD2 3.82Å; F226-L328 HydrophobicContact CZ-CD2 3.72Å; V297-L328 HydrophobicContact CG1-CB 4.08Å; V297-L328 HydrophobicContact CG1-CD2 4.26Å; I301-L328 HydrophobicContact CD1-CB 4.38Å; I301-L328 HydrophobicContact CG1-CB 3.94Å; I301-L328 HydrophobicContact CG1-CD1 3.92Å; F304-L328 HydrophobicContact CB-CD1 4.43Å; F304-L328 HydrophobicContact CD2-CD1 3.53Å; F304-L328 HydrophobicContact CE2-CD1 4.06Å; F304-L328 HydrophobicContact CG-CD1 4.2Å; F324-L328 HydrophobicContact CD1-CD1 3.83Å; F324-L328 HydrophobicContact CD1-CD2 4.48Å; F324-L328 HydrophobicContact CD1-CG 3.96Å; F324-L328 HydrophobicContact CE1-CD1 3.82Å; F324-L328 HydrophobicContact CE1-CD2 3.75Å; F324-L328 HydrophobicContact CE1-CG 3.72Å; F324-L328 HydrophobicContact CZ-CD2 4.09Å; F324-L328 HydrophobicContact CZ-CG 4.31Å; F324-L328 PolarHBondContact O-N 2.83Å; S325-L328 PolarHBondContact O-N 2.93Å; L328-Y331 PolarHBondContact O-N 2.76Å; L328-L332 WeakPolarHBondContact O-CB 3.49Å; L328-L332 PolarHBondContact O-N 2.91Å
329	Q	86.3	Confident	81	Confident	106 Å²	106	77.5 Å²	77.5	50%	0.495	37%	0.368	S	S	.	.	H	α-helix	trans	-65.2	-43.4	174.5	-74.8	172.5	-10.3	0	0	112.1	I301 S325 F326 F327 Y331 L332 I333	I301-Q329 HydrophobicContact CD1-CG 4.38Å; S325-Q329 VanDerWaalsContact O-CG 3.31Å; S325-Q329 WeakPolarHBondContact O-CG 3.29Å; S325-Q329 PolarHBondContact O-N 2.74Å; F326-Q329 PolarHBondContact O-N 2.9Å; F327-Q329 VanDerWaalsContact C-N 3.32Å; F327-Q329 PolarHBondContact O-N 2.86Å; Q329-Y331 VanDerWaalsContact C-N 3.33Å; Q329-L332 WeakPolarHBondContact O-CB 3.3Å; Q329-L332 PolarHBondContact O-N 3.1Å; Q329-I333 PolarHBondContact O-N 3.49Å
330	I	86.9	Confident	82.2	Confident	77 Å²	77	75.9 Å²	75.9	40%	0.395	36%	0.358	S	S	.	.	H	α-helix	trans	-62.2	-44.4	173.5	-68.1	171.1	0	0	0	110.3	F326 F327 L332 I333 M334	F326-I330 HydrophobicContact CD1-CD1 3.89Å; F326-I330 HydrophobicContact CE1-CD1 3.37Å; F326-I330 HydrophobicContact CE1-CG1 4.37Å; F326-I330 HydrophobicContact CZ-CD1 3.74Å; F326-I330 HydrophobicContact CZ-CG1 4.42Å; F326-I330 PolarHBondContact O-N 2.77Å; F326-I330 VanDerWaalsContact O-N 3.1Å; F327-I330 PolarHBondContact O-N 2.82Å; I330-L332 VanDerWaalsContact C-N 3.27Å; I330-L332 PolarHBondContact O-N 2.9Å; I330-I333 WeakPolarHBondContact O-CB 3.49Å; I330-I333 PolarHBondContact O-N 2.81Å; I330-I333 VanDerWaalsContact O-N 3.14Å; I330-M334 HydrophobicContact CG2-CG 4.38Å; I330-M334 WeakPolarHBondContact O-CG 3.34Å; I330-M334 PolarHBondContact O-N 2.81Å
331	Y	88.7	Confident	83	Confident	33 Å²	33	76 Å²	76	13%	0.129	36%	0.358	C	S	.	.	H	α-helix	trans	-59.6	-38.7	178.2	178.3	-105	0	0	0	112.1	G223 F226 I227 V297 F327 L328 Q329 I333 M334 I335	G223-Y331 PolarHBondContact O-OH 2.84Å; F226-Y331 HydrophobicContact CB-CE2 4.43Å; F226-Y331 AromaticContact CD1-CD1 3.93Å; F226-Y331 HydrophobicContact CD1-CD1 3.93Å; F226-Y331 HydrophobicContact CD1-CD2 4.19Å; F226-Y331 AromaticContact CD1-CE1 3.46Å; F226-Y331 HydrophobicContact CD1-CE1 3.46Å; F226-Y331 VanDerWaalsContact CD1-CE1 3.46Å; F226-Y331 AromaticContact CD1-CE2 3.77Å; F226-Y331 HydrophobicContact CD1-CE2 3.77Å; F226-Y331 HydrophobicContact CD1-CG 4.26Å; F226-Y331 AromaticContact CD1-CZ 3.38Å; F226-Y331 AromaticContact CE1-CD1 3.67Å; F226-Y331 HydrophobicContact CE1-CD1 3.67Å; F226-Y331 HydrophobicContact CE1-CD2 4.29Å; F226-Y331 AromaticContact CE1-CE1 3.67Å; F226-Y331 HydrophobicContact CE1-CE1 3.67Å; F226-Y331 HydrophobicContact CE1-CE2 4.32Å; F226-Y331 AromaticContact CE1-CG 3.98Å; F226-Y331 HydrophobicContact CE1-CG 3.98Å; F226-Y331 HydrophobicContact CG-CE2 4.17Å; I227-Y331 HydrophobicContact CD1-CE1 3.75Å; V297-Y331 HydrophobicContact CG1-CD1 4.42Å; V297-Y331 HydrophobicContact CG2-CD1 3.8Å; V297-Y331 HydrophobicContact CG2-CE1 3.69Å; F327-Y331 WeakPolarHBondContact O-CB 3.44Å; F327-Y331 PolarHBondContact O-N 2.97Å; L328-Y331 PolarHBondContact O-N 2.76Å; Q329-Y331 VanDerWaalsContact C-N 3.33Å; Y331-I333 PolarHBondContact O-N 2.91Å; Y331-M334 CarbonylContact O-C 3.57Å; Y331-M334 WeakPolarHBondContact O-CA 3.33Å; Y331-M334 WeakPolarHBondContact O-CB 3.18Å; Y331-M334 PolarHBondContact O-N 3Å; Y331-M334 VanDerWaalsContact O-N 3.12Å; Y331-I335 HydrophobicContact CD1-CD1 3.84Å; Y331-I335 HydrophobicContact CD1-CG1 4.36Å; Y331-I335 HydrophobicContact CE1-CD1 3.32Å; Y331-I335 HydrophobicContact CE1-CG1 3.93Å; Y331-I335 HydrophobicContact CE2-CG1 4.49Å; Y331-I335 PolarHBondContact O-N 3.29Å
332	L	89.7	Confident	83.9	Confident	37 Å²	37	71 Å²	71	19%	0.194	34%	0.337	C	S	.	.	H	α-helix	trans	-61.6	-43	175	-169.2	139.2	0	0	0	112	V297 I298 L328 Q329 I330 M334 I335 F336	V297-L332 HydrophobicContact CG1-CB 4.48Å; V297-L332 HydrophobicContact CG1-CD1 4.29Å; I298-L332 HydrophobicContact CD1-CD1 3.91Å; I298-L332 HydrophobicContact CG1-CD1 3.43Å; I298-L332 VanDerWaalsContact CG1-CD1 3.43Å; L328-L332 WeakPolarHBondContact O-CB 3.49Å; L328-L332 PolarHBondContact O-N 2.91Å; Q329-L332 WeakPolarHBondContact O-CB 3.3Å; Q329-L332 PolarHBondContact O-N 3.1Å; I330-L332 VanDerWaalsContact C-N 3.27Å; I330-L332 PolarHBondContact O-N 2.9Å; L332-M334 VanDerWaalsContact C-N 3.3Å; L332-M334 PolarHBondContact O-N 3.17Å; L332-I335 PolarHBondContact O-N 3.15Å; L332-F336 HydrophobicContact CD2-CD2 4.1Å; L332-F336 HydrophobicContact CD2-CE2 3.74Å; L332-F336 HydrophobicContact CG-CE2 4.16Å; L332-F336 WeakPolarHBondContact O-CD2 3.37Å; L332-F336 PolarHBondContact O-N 3.43Å
333	I	88.8	Confident	84.7	Confident	115 Å²	115	70.6 Å²	70.6	59%	0.59	33%	0.33	S	S	*	.	H	α-helix	trans	-61.1	-41.8	173.1	-62.2	168.3	0	0	0	110.4	Q329 I330 Y331 I335 F336 L337	Q329-I333 PolarHBondContact O-N 3.49Å; I330-I333 WeakPolarHBondContact O-CB 3.49Å; I330-I333 PolarHBondContact O-N 2.81Å; I330-I333 VanDerWaalsContact O-N 3.14Å; Y331-I333 PolarHBondContact O-N 2.91Å; I333-I335 PolarHBondContact O-N 3.14Å; I333-F336 PolarHBondContact O-N 2.94Å; I333-L337 PolarHBondContact O-N 3.06Å
334	M	87.3	Confident	85.3	Confident	109 Å²	109	72.3 Å²	72.3	54%	0.537	34%	0.337	S	S	.	.	H	α-helix	trans	-64.4	-35.7	178.4	-70.9	-64.7	-67.2	0	0	113.1	I330 Y331 L332 L337 G338	I330-M334 HydrophobicContact CG2-CG 4.38Å; I330-M334 WeakPolarHBondContact O-CG 3.34Å; I330-M334 PolarHBondContact O-N 2.81Å; Y331-M334 CarbonylContact O-C 3.57Å; Y331-M334 WeakPolarHBondContact O-CA 3.33Å; Y331-M334 WeakPolarHBondContact O-CB 3.18Å; Y331-M334 PolarHBondContact O-N 3Å; Y331-M334 VanDerWaalsContact O-N 3.12Å; L332-M334 VanDerWaalsContact C-N 3.3Å; L332-M334 PolarHBondContact O-N 3.17Å; M334-L337 PolarHBondContact O-N 3.22Å; M334-L337 HydrophobicContact SD-CD2 4.37Å; M334-G338 PolarHBondContact O-N 3.02Å
335	I	87.6	Confident	85.5	Confident	14 Å²	14	74.4 Å²	74.4	7%	0.072	35%	0.347	C	S	.	.	H	α-helix	trans	-59.1	-49.1	174.2	-73.1	169.7	0	0	0	110.3	C290 E293 V297 Y331 L332 I333 G338 L339	C290-I335 HydrophobicContact CB-CG2 4.11Å; E293-I335 HydrophobicContact CB-CD1 4.45Å; V297-I335 HydrophobicContact CG2-CD1 4.25Å; Y331-I335 HydrophobicContact CD1-CD1 3.84Å; Y331-I335 HydrophobicContact CD1-CG1 4.36Å; Y331-I335 HydrophobicContact CE1-CD1 3.32Å; Y331-I335 HydrophobicContact CE1-CG1 3.93Å; Y331-I335 HydrophobicContact CE2-CG1 4.49Å; Y331-I335 PolarHBondContact O-N 3.29Å; L332-I335 PolarHBondContact O-N 3.15Å; I333-I335 PolarHBondContact O-N 3.14Å; I335-G338 PolarHBondContact O-N 2.84Å; I335-L339 WeakPolarHBondContact O-CB 3.43Å; I335-L339 PolarHBondContact O-N 3.15Å
336	F	87.6	Confident	85.8	Confident	103 Å²	103	75.4 Å²	75.4	45%	0.452	35%	0.351	S	S	.	.	H	α-helix	trans	-67.8	-39	-179	-73.2	-71.9	0	0	0	112.7	A294 L332 I333 L339 Y340	A294-F336 HydrophobicContact CB-CE2 4.34Å; A294-F336 HydrophobicContact CB-CZ 4.19Å; L332-F336 HydrophobicContact CD2-CD2 4.1Å; L332-F336 HydrophobicContact CD2-CE2 3.74Å; L332-F336 HydrophobicContact CG-CE2 4.16Å; L332-F336 WeakPolarHBondContact O-CD2 3.37Å; L332-F336 PolarHBondContact O-N 3.43Å; I333-F336 PolarHBondContact O-N 2.94Å; F336-L339 WeakPolarHBondContact O-CB 3.3Å; F336-L339 PolarHBondContact O-N 2.87Å; F336-Y340 PolarHBondContact O-N 3.15Å; F336-Y340 VanDerWaalsContact O-N 3.15Å
337	L	86.7	Confident	86	Confident	90 Å²	90	74.5 Å²	74.5	47%	0.471	35%	0.345	S	S	.	.	H	α-helix	trans	-63.9	-44	174	-174.6	66	0	0	0	111.2	I333 M334 L339 Y340 I341	I333-L337 PolarHBondContact O-N 3.06Å; M334-L337 PolarHBondContact O-N 3.22Å; M334-L337 HydrophobicContact SD-CD2 4.37Å; L337-L339 VanDerWaalsContact C-N 3.34Å; L337-L339 PolarHBondContact O-N 3.45Å; L337-Y340 PolarHBondContact O-N 2.95Å; L337-I341 HydrophobicContact CG-CD1 4.15Å; L337-I341 WeakPolarHBondContact O-CG1 3.49Å; L337-I341 PolarHBondContact O-N 3.19Å; L337-I341 VanDerWaalsContact O-N 3.11Å
338	G	84.1	Confident	86.1	Confident	20 Å²	20	74.9 Å²	74.9	21%	0.206	35%	0.347	C	S	.	.	H	α-helix	trans	-62.1	-39.5	176.4	0	0	0	0	0	112.5	M334 I335 I341 N342	M334-G338 PolarHBondContact O-N 3.02Å; I335-G338 PolarHBondContact O-N 2.84Å; G338-I341 PolarHBondContact O-N 3.46Å; G338-N342 WeakPolarHBondContact O-CB 3.32Å; G338-N342 PolarHBondContact O-N 2.65Å; G338-N342 PolarHBondContact O-ND2 2.97Å
339	L	86	Confident	86	Confident	33 Å²	33	77.3 Å²	77.3	17%	0.173	36%	0.358	C	S	.	.	H	α-helix	trans	-58.1	-50.6	173.9	178.3	68.5	0	0	0	110.6	Y286 C290 I335 F336 L337 I341 N342 F343	Y286-L339 HydrophobicContact CD1-CD1 4.08Å; C290-L339 HydrophobicContact CB-CD1 4.18Å; C290-L339 HydrophobicContact CB-CD2 4.43Å; I335-L339 WeakPolarHBondContact O-CB 3.43Å; I335-L339 PolarHBondContact O-N 3.15Å; F336-L339 WeakPolarHBondContact O-CB 3.3Å; F336-L339 PolarHBondContact O-N 2.87Å; L337-L339 VanDerWaalsContact C-N 3.34Å; L337-L339 PolarHBondContact O-N 3.45Å; L339-I341 PolarHBondContact O-N 2.89Å; L339-N342 PolarHBondContact O-N 3.38Å; L339-F343 HydrophobicContact CD1-CD2 3.52Å; L339-F343 HydrophobicContact CD1-CE2 3.38Å; L339-F343 HydrophobicContact CD1-CZ 4.48Å; L339-F343 HydrophobicContact CG-CD2 4.04Å; L339-F343 HydrophobicContact CG-CE2 4.26Å; L339-F343 WeakPolarHBondContact O-CB 3.41Å; L339-F343 WeakPolarHBondContact O-CD2 3.4Å; L339-F343 PolarHBondContact O-N 3.33Å
340	Y	85.9	Confident	85.9	Confident	155 Å²	155	76 Å²	76	61%	0.608	35%	0.348	S	S	*	.	H	α-helix	trans	-59.5	-46.2	-180	176.3	-106.2	0	0	0	112.7	F336 L337 F343 R344	F336-Y340 PolarHBondContact O-N 3.15Å; F336-Y340 VanDerWaalsContact O-N 3.15Å; L337-Y340 PolarHBondContact O-N 2.95Å; Y340-F343 PolarHBondContact O-N 2.96Å; Y340-R344 PolarHBondContact O-N 2.79Å; Y340-R344 VanDerWaalsContact O-N 3.11Å
341	I	85.1	Confident	85.8	Confident	99 Å²	99	79.8 Å²	79.8	51%	0.508	36%	0.358	S	S	.	.	H	α-helix	trans	-63.7	-46.9	179.2	-65.2	168.3	0	0	0	110.7	L337 G338 L339 F343 R344 H345	L337-I341 HydrophobicContact CG-CD1 4.15Å; L337-I341 WeakPolarHBondContact O-CG1 3.49Å; L337-I341 PolarHBondContact O-N 3.19Å; L337-I341 VanDerWaalsContact O-N 3.11Å; G338-I341 PolarHBondContact O-N 3.46Å; L339-I341 PolarHBondContact O-N 2.89Å; I341-F343 PolarHBondContact O-N 2.85Å; I341-R344 PolarHBondContact O-N 2.98Å; I341-H345 PolarHBondContact O-N 2.92Å
342	N	84.1	Confident	85.4	Confident	20 Å²	20	86 Å²	86	11%	0.107	38%	0.381	C	S	.	.	H	α-helix	trans	-63.3	-41.2	178.5	-82.8	-65.3	0	0	0	111.7	Q220 Y286 G338 L339 R344 H345 L346	Q220-N342 PolarHBondContact NE2-OD1 3.22Å; Y286-N342 HydrophobicContact CE1-CB 4.12Å; G338-N342 WeakPolarHBondContact O-CB 3.32Å; G338-N342 PolarHBondContact O-N 2.65Å; G338-N342 PolarHBondContact O-ND2 2.97Å; L339-N342 PolarHBondContact O-N 3.38Å; N342-R344 PolarHBondContact O-N 3.36Å; N342-H345 WeakPolarHBondContact O-CB 3.01Å; N342-H345 PolarHBondContact O-N 2.99Å; N342-H345 VanDerWaalsContact O-N 3.15Å; N342-L346 WeakPolarHBondContact O-CB 3.34Å; N342-L346 WeakPolarHBondContact O-CG 3.35Å; N342-L346 PolarHBondContact O-N 3.04Å
343	F	84.9	Confident	84.9	Confident	57 Å²	57	90.6 Å²	90.6	25%	0.25	40%	0.396	C	S	.	.	H	α-helix	trans	-57.4	-48.4	176.1	-101.5	-111.8	0	0	0	112	W282 Y286 P287 L339 Y340 I341 H345 L346 Y347	W282-F343 HydrophobicContact CE3-CE1 4.26Å; W282-F343 HydrophobicContact CE3-CE2 4.23Å; W282-F343 AromaticContact CE3-CZ 3.99Å; W282-F343 HydrophobicContact CE3-CZ 3.99Å; W282-F343 AromaticContact CZ3-CD1 3.71Å; W282-F343 HydrophobicContact CZ3-CD1 3.71Å; W282-F343 HydrophobicContact CZ3-CD2 4.27Å; W282-F343 AromaticContact CZ3-CE1 3.61Å; W282-F343 HydrophobicContact CZ3-CE1 3.61Å; W282-F343 HydrophobicContact CZ3-CE2 4.18Å; W282-F343 HydrophobicContact CZ3-CG 4.01Å; W282-F343 AromaticContact CZ3-CZ 3.8Å; W282-F343 HydrophobicContact CZ3-CZ 3.8Å; Y286-F343 HydrophobicContact CD1-CE2 4.23Å; P287-F343 HydrophobicContact CG-CE1 4.18Å; P287-F343 HydrophobicContact CG-CE2 3.82Å; P287-F343 HydrophobicContact CG-CZ 3.26Å; L339-F343 HydrophobicContact CD1-CD2 3.52Å; L339-F343 HydrophobicContact CD1-CE2 3.38Å; L339-F343 HydrophobicContact CD1-CZ 4.48Å; L339-F343 HydrophobicContact CG-CD2 4.04Å; L339-F343 HydrophobicContact CG-CE2 4.26Å; L339-F343 WeakPolarHBondContact O-CB 3.41Å; L339-F343 WeakPolarHBondContact O-CD2 3.4Å; L339-F343 PolarHBondContact O-N 3.33Å; Y340-F343 PolarHBondContact O-N 2.96Å; I341-F343 PolarHBondContact O-N 2.85Å; F343-H345 VanDerWaalsContact C-N 3.28Å; F343-H345 PolarHBondContact O-N 2.98Å; F343-L346 PolarHBondContact O-N 3.05Å; F343-Y347 WeakPolarHBondContact O-CB 3.48Å; F343-Y347 PolarHBondContact O-N 2.81Å
344	R	84.3	Confident	84.3	Confident	183 Å²	183	90 Å²	90	69%	0.691	39%	0.387	S	S	*	.	H	α-helix	trans	-61.2	-40	177.5	-169.2	177.4	-177.1	-169.4	1.6	111.4	Y340 I341 N342 K348	Y340-R344 PolarHBondContact O-N 2.79Å; Y340-R344 VanDerWaalsContact O-N 3.11Å; I341-R344 PolarHBondContact O-N 2.98Å; N342-R344 PolarHBondContact O-N 3.36Å; R344-K348 WeakPolarHBondContact O-CB 3.43Å; R344-K348 PolarHBondContact O-N 3.18Å; R344-K348 VanDerWaalsContact O-N 3.09Å
345	H	83.6	Confident	83.2	Confident	71 Å²	71	87.3 Å²	87.3	33%	0.329	39%	0.386	S	S	.	.	H	α-helix	trans	-66.2	-52.9	178	-174.8	83.5	0	0	0	112.4	I341 N342 F343 Y347 K348 Q349	I341-H345 PolarHBondContact O-N 2.92Å; N342-H345 WeakPolarHBondContact O-CB 3.01Å; N342-H345 PolarHBondContact O-N 2.99Å; N342-H345 VanDerWaalsContact O-N 3.15Å; F343-H345 VanDerWaalsContact C-N 3.28Å; F343-H345 PolarHBondContact O-N 2.98Å; H345-Y347 VanDerWaalsContact C-N 3.33Å; H345-Y347 PolarHBondContact O-N 2.96Å; H345-K348 WeakPolarHBondContact O-CB 3.35Å; H345-K348 PolarHBondContact O-N 2.84Å; H345-K348 VanDerWaalsContact O-N 3.12Å; H345-Q349 PolarHBondContact CD2-NE2 3.41Å; H345-Q349 PolarHBondContact NE2-NE2 3.05Å; H345-Q349 PolarHBondContact O-N 3.35Å
346	L	84.1	Confident	81.7	Confident	30 Å²	30	95.1 Å²	95.1	16%	0.157	42%	0.422	C	S	.	.	H	α-helix	trans	-63.9	-38	-179.6	-68.5	171.2	0	0	0	111.8	W282 N342 F343 K348 Q349 R350	W282-L346 HydrophobicContact CB-CD1 4.19Å; W282-L346 HydrophobicContact CD2-CB 3.81Å; W282-L346 HydrophobicContact CD2-CD1 3.87Å; W282-L346 HydrophobicContact CD2-CG 4.42Å; W282-L346 HydrophobicContact CE3-CB 3.96Å; W282-L346 HydrophobicContact CE3-CD1 3.82Å; W282-L346 HydrophobicContact CG-CB 4.45Å; W282-L346 HydrophobicContact CG-CD1 4.03Å; W282-L346 HydrophobicContact CH2-CB 4Å; W282-L346 HydrophobicContact CZ2-CB 3.85Å; W282-L346 HydrophobicContact CZ3-CB 4.05Å; N342-L346 WeakPolarHBondContact O-CB 3.34Å; N342-L346 WeakPolarHBondContact O-CG 3.35Å; N342-L346 PolarHBondContact O-N 3.04Å; F343-L346 PolarHBondContact O-N 3.05Å; L346-K348 PolarHBondContact O-N 3.07Å; L346-Q349 WeakPolarHBondContact O-CB 3.46Å; L346-Q349 PolarHBondContact O-N 3.25Å; L346-R350 PolarHBondContact O-N 3.07Å
347	Y	85.1	Confident	79.9	Confident	108 Å²	108	99.4 Å²	99.4	42%	0.424	44%	0.441	S	S	.	.	H	α-helix	trans	-62.4	-42.3	172.8	-171.4	-98.4	0	0	0	111.9	F343 H345 Q349 R350 R351	F343-Y347 WeakPolarHBondContact O-CB 3.48Å; F343-Y347 PolarHBondContact O-N 2.81Å; H345-Y347 VanDerWaalsContact C-N 3.33Å; H345-Y347 PolarHBondContact O-N 2.96Å; Y347-Q349 VanDerWaalsContact C-N 3.35Å; Y347-R350 PolarHBondContact O-N 2.81Å; Y347-R351 HydrophobicContact CD1-CG 4.29Å; Y347-R351 HydrophobicContact CE1-CG 3.89Å; Y347-R351 PolarHBondContact O-N 2.97Å
348	K	85.1	Confident	78	Confident	113 Å²	113	104.8 Å²	104.8	49%	0.491	46%	0.461	S	S	.	.	H	α-helix	trans	-63.1	-39.9	173.7	-171	178	-177.8	179.5	0	111.6	R344 H345 L346 R351 R352	R344-K348 WeakPolarHBondContact O-CB 3.43Å; R344-K348 PolarHBondContact O-N 3.18Å; R344-K348 VanDerWaalsContact O-N 3.09Å; H345-K348 WeakPolarHBondContact O-CB 3.35Å; H345-K348 PolarHBondContact O-N 2.84Å; H345-K348 VanDerWaalsContact O-N 3.12Å; L346-K348 PolarHBondContact O-N 3.07Å; K348-R351 PolarHBondContact O-N 3.44Å; K348-R352 WeakPolarHBondContact O-CG 3.42Å; K348-R352 PolarHBondContact O-N 3.32Å
349	Q	83.3	Confident	76.1	Confident	50 Å²	50	113 Å²	113	23%	0.234	49%	0.491	C	S	.	.	H	α-helix	trans	-62	-47.5	174.7	-69.8	-169.8	0.3	0	0	111.9	Y279 H345 L346 Y347 R351 R352 R353	Y279-Q349 HydrophobicContact CE1-CB 4.32Å; H345-Q349 PolarHBondContact CD2-NE2 3.41Å; H345-Q349 PolarHBondContact NE2-NE2 3.05Å; H345-Q349 PolarHBondContact O-N 3.35Å; L346-Q349 WeakPolarHBondContact O-CB 3.46Å; L346-Q349 PolarHBondContact O-N 3.25Å; Y347-Q349 VanDerWaalsContact C-N 3.35Å; Q349-R351 PolarHBondContact O-N 3.03Å; Q349-R352 PolarHBondContact O-N 2.93Å; Q349-R353 PolarHBondContact O-N 2.96Å; Q349-R353 VanDerWaalsContact O-N 3.14Å
350	R	84.4	Confident	74.3	Confident	79 Å²	79	121.1 Å²	121.1	30%	0.298	53%	0.525	S	S	.	.	H	α-helix	trans	-59.8	-45.5	176.9	-173.9	-176.9	-177.9	-148.3	-0.7	111.6	Y279 L346 Y347 R352 R353 Y354	Y279-R350 WeakPolarHBondContact O-CD 3.38Å; L346-R350 PolarHBondContact O-N 3.07Å; Y347-R350 PolarHBondContact O-N 2.81Å; R350-R352 VanDerWaalsContact C-N 3.32Å; R350-R352 PolarHBondContact O-N 3.13Å; R350-R353 PolarHBondContact O-N 3.35Å; R350-Y354 HydrophobicContact CG-CD2 4.16Å; R350-Y354 PolarHBondContact O-N 2.85Å
351	R	84.7	Confident	72.5	Confident	156 Å²	156	120.5 Å²	120.5	59%	0.589	53%	0.53	S	S	*	.	H	α-helix	trans	-63.3	-33.8	176	-76.1	-149.2	-66.3	-161.6	-2.1	113	Y347 K348 Q349 G355	Y347-R351 HydrophobicContact CD1-CG 4.29Å; Y347-R351 HydrophobicContact CE1-CG 3.89Å; Y347-R351 PolarHBondContact O-N 2.97Å; K348-R351 PolarHBondContact O-N 3.44Å; Q349-R351 PolarHBondContact O-N 3.03Å; R351-G355 WeakPolarHBondContact O-CA 3.15Å; R351-G355 PolarHBondContact O-N 3.49Å
352	R	81.8	Confident	70.7	Confident	165 Å²	165	128 Å²	128	62%	0.623	56%	0.563	S	S	*	*	H	α-helix	trans	-65.8	-41.3	174.5	-76.7	173	172.2	-177.3	-6.3	112	K348 Q349 R350	K348-R352 WeakPolarHBondContact O-CG 3.42Å; K348-R352 PolarHBondContact O-N 3.32Å; Q349-R352 PolarHBondContact O-N 2.93Å; R350-R352 VanDerWaalsContact C-N 3.32Å; R350-R352 PolarHBondContact O-N 3.13Å
353	R	78.9	Confident	70.1	Confident	133 Å²	133	133.4 Å²	133.4	50%	0.502	59%	0.585	S	S	.	*	H	α-helix	trans	-75.3	-40.4	-178.7	-167.5	67.4	168.9	-179.1	-2.1	113.2	Y279 Q349 R350	Y279-R353 HydrophobicContact CD2-CG 4.36Å; Y279-R353 HydrophobicContact CE2-CB 4.41Å; Y279-R353 HydrophobicContact CE2-CG 3.95Å; Q349-R353 PolarHBondContact O-N 2.96Å; Q349-R353 VanDerWaalsContact O-N 3.14Å; R350-R353 PolarHBondContact O-N 3.35Å
354	Y	76.4	Confident	69.3	Low	103 Å²	103	137.4 Å²	137.4	40%	0.404	60%	0.603	S	S	.	*	H	α-helix	trans	-113.4	-13.6	-173	-66.5	-70.9	0	0	0	115.1	W276 Y279 R350	W276-Y354 WeakPolarHBondContact CA-OH 3.48Å; W276-Y354 PolarHBondContact N-OH 3.1Å; Y279-Y354 HydrophobicContact CD2-CE2 4.04Å; Y279-Y354 HydrophobicContact CG-CE2 4.21Å; R350-Y354 HydrophobicContact CG-CD2 4.16Å; R350-Y354 PolarHBondContact O-N 2.85Å
355	G	63.5	Low	68.5	Low	51 Å²	51	134.9 Å²	134.9	53%	0.526	60%	0.598	S	S	.	*	S	Bend	trans	-85	-10.2	-177.4	0	0	0	0	0	114.5	R351 K357	R351-G355 WeakPolarHBondContact O-CA 3.15Å; R351-G355 PolarHBondContact O-N 3.49Å; G355-K357 VanDerWaalsContact C-N 3.28Å; G355-K357 PolarHBondContact O-N 3.36Å; G355-K357 VanDerWaalsContact O-N 3.09Å
356	Q	55.4	Low	67.6	Low	178 Å²	178	138.6 Å²	138.6	83%	0.832	61%	0.614	S	S	*	*			trans	-83.7	71.6	170.1	-74.1	-171.8	-14.7	0	0	110.7
357	K	49.9	Very low	66.5	Low	193 Å²	193	145.4 Å²	145.4	84%	0.839	64%	0.643	S	S	*	*			trans	-133.2	126.7	154.3	-94.4	-174.6	176.8	-179	0	109.4	G355	G355-K357 VanDerWaalsContact C-N 3.28Å; G355-K357 PolarHBondContact O-N 3.36Å; G355-K357 VanDerWaalsContact O-N 3.09Å
358	K	48.2	Very low	65.3	Low	203 Å²	203	147.9 Å²	147.9	88%	0.883	66%	0.657	S	S	*	*			trans	91.3	73.7	174.6	-57	-173.8	175.6	-174.8	0	117.8
359	K	44.3	Very low	63.9	Low	193 Å²	193	150.4 Å²	150.4	84%	0.839	67%	0.669	S	S	*	*				-126	75.4	126.2	-93.4	-171.1	176.1	-176.5	0	108.4	I361	K359-I361 HydrophobicContact CD-CD1 4.48Å; K359-I361 HydrophobicContact CG-CD1 4.36Å
360	K	47.3	Very low	62.4	Low	204 Å²	204	158.2 Å²	158.2	89%	0.887	70%	0.703	S	S	*	*			trans	-98.1	98.8	143.5	-81.7	-169.5	174.8	-171.5	0	103.5
361	I	49	Very low	60.6	Low	142 Å²	142	164.8 Å²	164.8	73%	0.728	74%	0.736	S	S	*	*			trans	-91	133.8	164.5	-66.5	174.1	0	0	0	104.7	K359	K359-I361 HydrophobicContact CD-CD1 4.48Å; K359-I361 HydrophobicContact CG-CD1 4.36Å
362	H	47.2	Very low	58.4	Low	256 Å²	256	165.5 Å²	165.5	100%	1.185	75%	0.75	S	S	*	*			trans	-47.9	0	-174.9	-85.5	-83.4	0	0	0	115

Retrieved 362 of 362 residues in 129.8 ms (Link to these results)

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