A0A077Z1N6_TRITR Loading...

Gamma-tubulin complex component

AlphaFold DB , UniProt , Accession A0A077Z1N6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,071 aa.

						>A0A077Z1N6_TRITR|A0A077Z1N6
MEKPTVAETAVMYSVGEKVECEYRRQWYKATIIGQKKSRKNQLYRIHYVGWGTEWDESVPASRLRKVAATKKSVSDKAPAIEDPIARLKEKLKTCVAPPGSGIPKLNEPMNTGKKRRPRRPCNVQDEKTAKTTGKHCRKRNDSSVVHEKKGSSSTDDSIDKRLIPEGLIDVLRDDHHWVTKDLYIPNIPAFPSAAQILSKFCDRAISEDLEAAGKYRVFLRCMKSLFNKCLPLQLLYRFERFQLEEITRTMPQVAYCDIYGYAHLVRFCFSLRDILKSAKVTKSEMETILPLLLEFFAFLKRKKRLLRCSVACSQVEGKATIKDMLIKLAKEEVCSEAIFGSSFVVLSPNLLSRSYVDKTERMMENVRKGLSSFGREAMAKKLDEIWESLQQSASSNFTAEIVRFLLRLGKLEVMSTERPLMSLNCPLLPKEDSELSSIFDDSISVEPRYSSRSEGWRKMTYQSIVHDCILMLQGIKTCSMTVDTLNGLKFCSLIEMPSFVKAILRKLSWYAIKYMKLSSFCDEVHYATWHGAYTRSLDCAIRQELNSYLEILVKMESEWKEKSEYFNEESVLNEIGLLFEEVELMLWPMKDTLYALSSLVDLTNVDSGVLISQAYVMMHTRDPEMKKIAQYTLVAMCSMLKRLIVDWMFVGAFDSPSDDVLLVGKSIIYVRNICSHFEDIPAFEKQRHLLEEMSPTHMFQQPESNAFARCVKEACVRVSAVVLEIMSSTFDFGFFMNVVKKVILLGRGDFFTAFIISARTELEKPLPEASIIQLSSFVKVSLRECYEADIAARMNDWLIVELPDFQCSRKTYDGVIITYKVPKPIYTVLDPGAPLDYKRLFLFLWRLRHADYLMYQLVYKHSRIQLHLSTLPEILPLHRRLSLLYFSVTNFVKQLVYYAFIDVIERASIEFFGKFNSASDFDCVVSAHRSFLSWITDKLFLSREKLSLRVHLRTILDVVFELIDASNSFDDLLETELAQITADEIMEQLRLNAGLWSVNDEENLLATKRREQLIDTVRSNFAPQLRWIETEYYIAASNFLQVLLKESDSDLRYLSFSIDSSNWYCSKCPA
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.5	Very low	39.3	Very low	249 Å²	249	148.5 Å²	148.5	100%	1.227	84%	0.84	S	S	*	*				0	113.8	0	-71.8	179.7	176.1	0	0	107.5
2	E	31.2	Very low	42.1	Very low	198 Å²	198	147.2 Å²	147.2	93%	0.925	83%	0.825	S	S	*	*			trans	-102.2	152.7	176.5	-64.1	176.2	128.4	0	0	109.6
3	K	36	Very low	45.3	Very low	201 Å²	201	137.2 Å²	137.2	87%	0.874	77%	0.766	S	S	*	*			trans	-130.9	146.8	165.4	-91.5	-170.8	173.7	-177.2	0	108.9
4	P	33.7	Very low	48.2	Very low	123 Å²	123	132.9 Å²	132.9	80%	0.799	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-79.2	147	-161.1	31.1	-36.5	0	0	0	113.5
5	T	35.1	Very low	50.7	Low	139 Å²	139	129.3 Å²	129.3	85%	0.853	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-82.9	130.1	170.5	49.3	0	0	0	0	111.2
6	V	36.5	Very low	52.9	Low	137 Å²	137	124.8 Å²	124.8	83%	0.83	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-68.8	151.5	170.6	178.9	0	0	0	0	110
7	A	30.1	Very low	55.1	Low	101 Å²	101	120.1 Å²	120.1	84%	0.835	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-78.8	125.3	178.9	0	0	0	0	0	111.8
8	E	36.2	Very low	57.1	Low	191 Å²	191	122.2 Å²	122.2	89%	0.893	69%	0.693	S	S	*	*			trans	-117.7	159.4	171.7	-71.2	-167.7	129	0	0	111.8
9	T	41	Very low	59	Low	131 Å²	131	115.8 Å²	115.8	80%	0.804	66%	0.657	S	S	*	*			trans	-77.8	145.8	-165.3	46.7	0	0	0	0	113.7	V11	T9-V11 PolarHBondContact O-N 3.07Å
10	A	51.9	Low	60.7	Low	98 Å²	98	111.6 Å²	111.6	81%	0.81	63%	0.631	S	S	*	*			trans	-75.3	83	-170.7	0	0	0	0	0	113.5	M12	A10-M12 PolarHBondContact O-N 2.94Å
11	V	64.7	Low	62.2	Low	65 Å²	65	106.2 Å²	106.2	39%	0.394	60%	0.601	S	S	.	*			trans	-66.2	123.9	169.8	-178.4	0	0	0	0	110.2	T9 Y13	T9-V11 PolarHBondContact O-N 3.07Å; V11-Y13 HydrophobicContact CB-CE2 4.45Å; V11-Y13 HydrophobicContact CG1-CE1 4.22Å; V11-Y13 HydrophobicContact CG1-CE2 4.01Å
12	M	73.4	Confident	64.9	Low	133 Å²	133	97.4 Å²	97.4	66%	0.655	56%	0.557	S	S	*	*			trans	-95.3	149.4	169.1	-67.3	-160.1	-176.9	0	0	111.8	A10	A10-M12 PolarHBondContact O-N 2.94Å
13	Y	84.1	Confident	67.6	Low	17 Å²	17	90.5 Å²	90.5	7%	0.067	52%	0.523	C	S	.	.			trans	-126.6	149.8	-179.7	-62.4	-84.5	0	0	0	111.5	V11 E17 V19 I32 Y44 L64 R65 K66	V11-Y13 HydrophobicContact CB-CE2 4.45Å; V11-Y13 HydrophobicContact CG1-CE1 4.22Å; V11-Y13 HydrophobicContact CG1-CE2 4.01Å; Y13-E17 WeakPolarHBondContact CA-OE2 3.49Å; Y13-V19 HydrophobicContact CD1-CG1 3.63Å; Y13-V19 HydrophobicContact CE1-CG1 3.73Å; Y13-V19 HydrophobicContact CG-CG1 4.47Å; Y13-I32 HydrophobicContact CD1-CD1 4.37Å; Y13-I32 HydrophobicContact CG-CD1 3.97Å; Y13-Y44 HydrophobicContact CD2-CD2 4.44Å; Y13-Y44 AromaticContact CD2-CE2 3.95Å; Y13-Y44 HydrophobicContact CD2-CE2 3.95Å; Y13-Y44 PolarHBondContact N-OH 2.93Å; Y13-Y44 WeakPolarHBondContact O-CE1 3.38Å; Y13-L64 HydrophobicContact CD2-CB 4.44Å; Y13-L64 HydrophobicContact CD2-CD1 3.98Å; Y13-L64 HydrophobicContact CE2-CB 3.7Å; Y13-L64 HydrophobicContact CE2-CD1 4.07Å; Y13-L64 VanDerWaalsContact OH-C 3.25Å; Y13-L64 PolarHBondContact OH-O 2.94Å; Y13-R65 WeakPolarHBondContact OH-CA 3.27Å; Y13-K66 HydrophobicContact CD1-CG 4.41Å; Y13-K66 HydrophobicContact CE1-CG 3.68Å
14	S	85.2	Confident	69.7	Low	78 Å²	78	90.8 Å²	90.8	55%	0.545	52%	0.518	S	S	.	.			trans	-94.9	151.5	-179.2	-64.1	0	0	0	0	112.8	G16 E17	S14-G16 PolarHBondContact O-N 3.43Å; S14-E17 PolarHBondContact N-OE2 2.95Å; S14-E17 WeakPolarHBondContact O-CB 3.47Å; S14-E17 PolarHBondContact O-N 2.75Å; S14-E17 VanDerWaalsContact O-N 3.08Å
15	V	86.2	Confident	72	Confident	78 Å²	78	95.6 Å²	95.6	47%	0.473	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	132.1	166.3	-179.4	0	0	0	0	108.7	Q35	V15-Q35 HydrophobicContact CG2-CG 4.1Å
16	G	85.3	Confident	74.3	Confident	58 Å²	58	94.6 Å²	94.6	60%	0.598	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	-6.7	-170.2	0	0	0	0	0	115	S14 I32	S14-G16 PolarHBondContact O-N 3.43Å; G16-I32 PolarHBondContact N-O 3.14Å
17	E	90.3	Very high	76.8	Confident	44 Å²	44	92.8 Å²	92.8	21%	0.206	48%	0.484	C	S	.	.			trans	-70.6	138.5	177.8	-164.1	171.4	170.4	0	0	111.5	Y13 S14 V19 I32 K66	Y13-E17 WeakPolarHBondContact CA-OE2 3.49Å; S14-E17 PolarHBondContact N-OE2 2.95Å; S14-E17 WeakPolarHBondContact O-CB 3.47Å; S14-E17 PolarHBondContact O-N 2.75Å; S14-E17 VanDerWaalsContact O-N 3.08Å; E17-V19 HydrophobicContact CG-CG1 4.45Å; E17-I32 PolarHBondContact O-N 2.86Å; E17-K66 IonicContact OE1-NZ 3.21Å; E17-K66 PolarHBondContact OE1-NZ 3.4Å; E17-K66 IonicContact OE2-NZ 3.05Å
18	K	90.8	Very high	79.8	Confident	158 Å²	158	91.2 Å²	91.2	69%	0.687	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	122.9	174.5	-70.9	-178.6	179.2	-179.4	0	109.4	T31	K18-T31 HydrophobicContact CG-CG2 3.94Å
19	V	93.1	Very high	82.5	Confident	1 Å²	1	88.8 Å²	88.8	1%	0.006	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	165.7	-175.4	-67.3	0	0	0	0	110	Y13 E17 A30 I32 L64 R65	Y13-V19 HydrophobicContact CD1-CG1 3.63Å; Y13-V19 HydrophobicContact CE1-CG1 3.73Å; Y13-V19 HydrophobicContact CG-CG1 4.47Å; E17-V19 HydrophobicContact CG-CG1 4.45Å; V19-A30 HydrophobicContact CG2-CB 4.26Å; V19-A30 PolarHBondContact N-O 3.5Å; V19-A30 PolarHBondContact O-N 3.41Å; V19-I32 HydrophobicContact CG1-CD1 3.96Å; V19-I32 HydrophobicContact CG2-CD1 4.27Å; V19-I32 HydrophobicContact CG2-CG1 3.99Å; V19-L64 HydrophobicContact CB-CD2 4.5Å; V19-L64 HydrophobicContact CG2-CD2 3.95Å; V19-R65 WeakPolarHBondContact CA-O 3.26Å
20	E	93.6	Very high	84.9	Confident	31 Å²	31	82.6 Å²	82.6	15%	0.145	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	131.6	160.9	-66.3	179.7	159.8	0	0	108.4	W27 Y28 K29 L64 R65 V67	E20-W27 HydrophobicContact CB-CB 4.46Å; E20-W27 HydrophobicContact CB-CE3 4.05Å; E20-W27 WeakPolarHBondContact O-CZ3 3.3Å; E20-Y28 CarbonylContact C-O 3.54Å; E20-Y28 WeakPolarHBondContact CA-O 3.38Å; E20-K29 HydrophobicContact CG-CG 4.3Å; E20-L64 WeakPolarHBondContact O-CA 3.24Å; E20-R65 HydrophobicContact CB-CG 3.92Å; E20-R65 PolarHBondContact N-O 2.85Å; E20-R65 PolarHBondContact O-N 2.9Å; E20-R65 IonicContact OE2-CZ 3.47Å; E20-R65 IonicContact OE2-NE 3.56Å; E20-R65 PolarHBondContact OE2-NE 3.38Å; E20-R65 IonicContact OE2-NH2 2.72Å; E20-R65 PolarHBondContact OE2-NH2 2.96Å; E20-V67 HydrophobicContact CG-CG2 4.28Å
21	C	92.2	Very high	86.9	Confident	0 Å²	0	80 Å²	80	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	134.1	176.4	-176.6	0	0	0	0	111	Y23 Y28 A30 I46 Y48 R63 L64	C21-Y23 PolarHBondContact O-N 2.63Å; C21-Y28 PolarHBondContact N-O 2.94Å; C21-Y28 PolarHBondContact O-N 3.31Å; C21-A30 HydrophobicContact CB-CB 4.32Å; C21-I46 HydrophobicContact CB-CD1 3.69Å; C21-I46 WeakPolarHBondContact SG-CD1 3.5Å; C21-Y48 HydrophobicContact CB-CE1 3.94Å; C21-Y48 PolarHBondContact SG-OH 2.88Å; C21-Y48 VanDerWaalsContact SG-OH 3.41Å; C21-R63 CarbonylContact C-O 3.6Å; C21-R63 WeakPolarHBondContact CA-O 3.45Å; C21-R63 PolarHBondContact SG-O 2.65Å; C21-L64 HydrophobicContact CB-CD2 3.66Å
22	E	92.9	Very high	88.3	Confident	63 Å²	63	77 Å²	77	29%	0.294	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	123.9	170.9	-171.8	-166.9	-160.8	0	0	110.4	R25 Q26 W27 R63	E22-R25 WeakPolarHBondContact OE1-CA 3.45Å; E22-Q26 CarbonylContact C-O 3.58Å; E22-Q26 WeakPolarHBondContact CA-O 3.21Å; E22-W27 HydrophobicContact CB-CD2 4.31Å; E22-W27 HydrophobicContact CB-CE3 4.23Å; E22-W27 HydrophobicContact CB-CH2 4.14Å; E22-W27 HydrophobicContact CB-CZ2 4.22Å; E22-W27 HydrophobicContact CB-CZ3 4.14Å; E22-R63 PolarHBondContact N-O 3.43Å; E22-R63 PolarHBondContact O-NE 3.09Å; E22-R63 PolarHBondContact O-NH2 3.18Å
23	Y	87.2	Confident	89.2	Confident	54 Å²	54	74.4 Å²	74.4	21%	0.212	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	126.6	165.6	-174.9	-95	0	0	0	108.6	C21 R25 Q26 Y28	C21-Y23 PolarHBondContact O-N 2.63Å; Y23-R25 VanDerWaalsContact C-N 3.3Å; Y23-R25 PolarHBondContact O-N 2.85Å; Y23-Q26 PolarHBondContact N-O 2.87Å; Y23-Q26 PolarHBondContact O-N 3.45Å; Y23-Q26 VanDerWaalsContact O-O 3.1Å; Y23-Y28 HydrophobicContact CD1-CE2 4.49Å
24	R	80.9	Confident	89.4	Confident	206 Å²	206	74.5 Å²	74.5	78%	0.777	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.3	46	-177.8	-63.1	-178.6	-179.2	-153.6	-0.6	114.3	Q26	R24-Q26 VanDerWaalsContact C-N 3.27Å; R24-Q26 PolarHBondContact O-N 3.36Å
25	R	81.4	Confident	89.6	Confident	225 Å²	225	76.3 Å²	76.3	85%	0.849	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	15.2	-178	-52.9	179.2	178.8	170.6	-1.1	116.1	E22 Y23	E22-R25 WeakPolarHBondContact OE1-CA 3.45Å; Y23-R25 VanDerWaalsContact C-N 3.3Å; Y23-R25 PolarHBondContact O-N 2.85Å
26	Q	82.5	Confident	89.3	Confident	117 Å²	117	80.1 Å²	80.1	55%	0.547	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	149.3	173.6	-72.7	176.1	-16.5	0	0	110.4	E22 Y23 R24 Y28	E22-Q26 CarbonylContact C-O 3.58Å; E22-Q26 WeakPolarHBondContact CA-O 3.21Å; Y23-Q26 PolarHBondContact N-O 2.87Å; Y23-Q26 PolarHBondContact O-N 3.45Å; Y23-Q26 VanDerWaalsContact O-O 3.1Å; R24-Q26 VanDerWaalsContact C-N 3.27Å; R24-Q26 PolarHBondContact O-N 3.36Å; Q26-Y28 HydrophobicContact CB-CD2 4.34Å; Q26-Y28 HydrophobicContact CB-CE2 3.61Å; Q26-Y28 WeakPolarHBondContact O-CD2 3.46Å; Q26-Y28 PolarHBondContact OE1-OH 3.19Å
27	W	90.6	Very high	88.7	Confident	100 Å²	100	85.6 Å²	85.6	38%	0.379	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	117.9	-175.8	-68.1	88.6	0	0	0	111.1	E20 E22 R65	E20-W27 HydrophobicContact CB-CB 4.46Å; E20-W27 HydrophobicContact CB-CE3 4.05Å; E20-W27 WeakPolarHBondContact O-CZ3 3.3Å; E22-W27 HydrophobicContact CB-CD2 4.31Å; E22-W27 HydrophobicContact CB-CE3 4.23Å; E22-W27 HydrophobicContact CB-CH2 4.14Å; E22-W27 HydrophobicContact CB-CZ2 4.22Å; E22-W27 HydrophobicContact CB-CZ3 4.14Å; W27-R65 HydrophobicContact CE3-CG 3.75Å; W27-R65 VanDerWaalsContact CG-CZ 3.49Å; W27-R65 HydrophobicContact CH2-CB 4.34Å; W27-R65 HydrophobicContact CH2-CG 4.21Å; W27-R65 HydrophobicContact CZ3-CB 4.01Å; W27-R65 HydrophobicContact CZ3-CG 3.58Å
28	Y	91.5	Very high	87.5	Confident	68 Å²	68	87.2 Å²	87.2	27%	0.267	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	140.6	-178.6	-68.7	-95.3	0	0	0	110.8	E20 C21 Y23 Q26 A30 W51	E20-Y28 CarbonylContact C-O 3.54Å; E20-Y28 WeakPolarHBondContact CA-O 3.38Å; C21-Y28 PolarHBondContact N-O 2.94Å; C21-Y28 PolarHBondContact O-N 3.31Å; Y23-Y28 HydrophobicContact CD1-CE2 4.49Å; Q26-Y28 HydrophobicContact CB-CD2 4.34Å; Q26-Y28 HydrophobicContact CB-CE2 3.61Å; Q26-Y28 WeakPolarHBondContact O-CD2 3.46Å; Q26-Y28 PolarHBondContact OE1-OH 3.19Å; Y28-A30 PolarHBondContact O-N 2.96Å; Y28-W51 AromaticContact CD1-CZ2 3.95Å; Y28-W51 HydrophobicContact CD1-CZ2 3.95Å; Y28-W51 AromaticContact CE1-CZ2 3.81Å; Y28-W51 HydrophobicContact CE1-CZ2 3.81Å
29	K	92.8	Very high	86.2	Confident	139 Å²	139	91.7 Å²	91.7	60%	0.604	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.3	131.4	177	-67.8	173.5	-177.1	170.8	0	110	E20 V49	E20-K29 HydrophobicContact CG-CG 4.3Å; K29-V49 HydrophobicContact CB-CB 4.32Å; K29-V49 HydrophobicContact CB-CG2 4.18Å; K29-V49 WeakPolarHBondContact O-CG2 3.46Å; K29-V49 PolarHBondContact O-N 3.08Å
30	A	93.4	Very high	84.9	Confident	2 Å²	2	101.2 Å²	101.2	2%	0.017	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	160.6	-176.6	0	0	0	0	0	112.1	V19 C21 Y28 I46 H47 Y48	V19-A30 HydrophobicContact CG2-CB 4.26Å; V19-A30 PolarHBondContact N-O 3.5Å; V19-A30 PolarHBondContact O-N 3.41Å; C21-A30 HydrophobicContact CB-CB 4.32Å; Y28-A30 PolarHBondContact O-N 2.96Å; A30-I46 HydrophobicContact CB-CB 4.33Å; A30-H47 CarbonylContact C-O 3.48Å; A30-H47 WeakPolarHBondContact CA-O 3.38Å; A30-H47 WeakPolarHBondContact CB-O 3.38Å; A30-Y48 HydrophobicContact CB-CD1 4.16Å; A30-Y48 HydrophobicContact CB-CE1 4.48Å
31	T	93.4	Very high	83.7	Confident	42 Å²	42	105.1 Å²	105.1	26%	0.258	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	137.4	172	40.4	0	0	0	0	110.4	K18 I33 I46 H47	K18-T31 HydrophobicContact CG-CG2 3.94Å; T31-I33 PolarHBondContact O-N 3.45Å; T31-I46 WeakPolarHBondContact O-CA 3.48Å; T31-H47 PolarHBondContact N-O 2.85Å; T31-H47 PolarHBondContact O-N 3.28Å
32	I	93.3	Very high	83.1	Confident	3 Å²	3	106.8 Å²	106.8	2%	0.015	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	114.2	178.4	-64.1	171.3	0	0	0	109.3	Y13 G16 E17 V19 Y44 R45 I46 L64	Y13-I32 HydrophobicContact CD1-CD1 4.37Å; Y13-I32 HydrophobicContact CG-CD1 3.97Å; G16-I32 PolarHBondContact N-O 3.14Å; E17-I32 PolarHBondContact O-N 2.86Å; V19-I32 HydrophobicContact CG1-CD1 3.96Å; V19-I32 HydrophobicContact CG2-CD1 4.27Å; V19-I32 HydrophobicContact CG2-CG1 3.99Å; I32-Y44 HydrophobicContact CD1-CD1 4.26Å; I32-Y44 HydrophobicContact CD1-CG 4.46Å; I32-Y44 HydrophobicContact CG2-CD1 4.2Å; I32-R45 CarbonylContact C-O 3.57Å; I32-R45 WeakPolarHBondContact CA-O 3.1Å; I32-I46 HydrophobicContact CG1-CG2 4.06Å; I32-L64 HydrophobicContact CD1-CD1 4.28Å
33	I	91.6	Very high	82.9	Confident	79 Å²	79	106.3 Å²	106.3	41%	0.405	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-22.6	179.4	-15.4	173.1	0	0	0	112.2	T31 R45 H47 D56	T31-I33 PolarHBondContact O-N 3.45Å; I33-R45 HydrophobicContact CD1-CG 4.04Å; I33-R45 HydrophobicContact CG1-CG 4.35Å; I33-R45 PolarHBondContact N-O 3.46Å; I33-H47 HydrophobicContact CD1-CB 3.68Å; I33-H47 HydrophobicContact CG1-CB 3.83Å; I33-D56 HydrophobicContact CD1-CB 4.34Å; I33-D56 WeakPolarHBondContact CD1-OD2 3.41Å
34	G	88.9	Confident	83.1	Confident	18 Å²	18	103.9 Å²	103.9	19%	0.186	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	171.9	-176	0	0	0	0	0	113.7	Y44 R45	G34-Y44 CarbonylContact O-C 3.39Å; G34-Y44 WeakPolarHBondContact O-CA 3.22Å; G34-R45 PolarHBondContact N-O 2.87Å; G34-R45 PolarHBondContact O-N 3.19Å
35	Q	88.7	Confident	83.7	Confident	116 Å²	116	99.8 Å²	99.8	54%	0.542	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	142.5	-179.7	53.4	175.6	-21.9	0	0	110.8	V15 Q42 L43 Y44	V15-Q35 HydrophobicContact CG2-CG 4.1Å; Q35-Q42 VanDerWaalsContact OE1-NE2 3.17Å; Q35-L43 CarbonylContact C-O 3.6Å; Q35-L43 WeakPolarHBondContact CA-O 3.4Å; Q35-Y44 HydrophobicContact CB-CD1 4.31Å
36	K	81	Confident	84.3	Confident	158 Å²	158	89 Å²	89	69%	0.687	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.9	114.2	179.6	-166.6	173.3	-175.2	177.5	0	109.9	L43	K36-L43 PolarHBondContact N-O 3.38Å; K36-L43 PolarHBondContact O-N 3.49Å
37	K	73.7	Confident	84.8	Confident	174 Å²	174	86 Å²	86	76%	0.757	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73	127.5	170.5	-78.7	-176	173.6	-179.1	0	109.7	Q42	K37-Q42 HydrophobicContact CG-CG 4.35Å; K37-Q42 VanDerWaalsContact CG-OE1 3.31Å
38	S	63.5	Low	84.9	Confident	77 Å²	77	81.3 Å²	81.3	54%	0.538	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	161.3	167.9	-174.1	0	0	0	0	109.7	K40 N41	S38-K40 PolarHBondContact O-N 3.2Å; S38-N41 WeakPolarHBondContact CA-O 3.35Å; S38-N41 WeakPolarHBondContact CB-O 3.22Å; S38-N41 PolarHBondContact N-O 3.41Å; S38-N41 PolarHBondContact O-N 3.02Å
39	R	64.2	Low	84.8	Confident	253 Å²	253	82.4 Å²	82.4	96%	0.955	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-14.2	-171.9	-99	-178.4	171	171.9	-3.5	116
40	K	65.9	Low	84.5	Confident	200 Å²	200	79.6 Å²	79.6	87%	0.87	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.7	-3.6	177.9	-68.8	-169.1	175.4	-174.1	0	115.3	S38	S38-K40 PolarHBondContact O-N 3.2Å
41	N	67.2	Low	84.1	Confident	113 Å²	113	83.4 Å²	83.4	60%	0.604	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-160.8	152	-177.3	-102.5	-33.1	0	0	0	111.5	S38	S38-N41 WeakPolarHBondContact CA-O 3.35Å; S38-N41 WeakPolarHBondContact CB-O 3.22Å; S38-N41 PolarHBondContact N-O 3.41Å; S38-N41 PolarHBondContact O-N 3.02Å
42	Q	80.5	Confident	83.6	Confident	36 Å²	36	82.8 Å²	82.8	17%	0.168	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	127.1	171.8	-172.8	152.7	-41.6	0	0	109.9	Q35 K37	Q35-Q42 VanDerWaalsContact OE1-NE2 3.17Å; K37-Q42 HydrophobicContact CG-CG 4.35Å; K37-Q42 VanDerWaalsContact CG-OE1 3.31Å
43	L	88.4	Confident	83.4	Confident	52 Å²	52	87.6 Å²	87.6	27%	0.272	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	141	179.9	-65	171.6	0	0	0	110.3	Q35 K36 V59 P60	Q35-L43 CarbonylContact C-O 3.6Å; Q35-L43 WeakPolarHBondContact CA-O 3.4Å; K36-L43 PolarHBondContact N-O 3.38Å; K36-L43 PolarHBondContact O-N 3.49Å; L43-V59 WeakPolarHBondContact CA-O 3.33Å; L43-P60 HydrophobicContact CD2-CB 4.33Å
44	Y	92.2	Very high	82.9	Confident	4 Å²	4	90.6 Å²	90.6	2%	0.016	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	124.1	176.2	-58.8	-81.1	0	0	0	108.9	Y13 I32 G34 Q35 S58 V59 A61 L64	Y13-Y44 HydrophobicContact CD2-CD2 4.44Å; Y13-Y44 AromaticContact CD2-CE2 3.95Å; Y13-Y44 HydrophobicContact CD2-CE2 3.95Å; Y13-Y44 PolarHBondContact N-OH 2.93Å; Y13-Y44 WeakPolarHBondContact O-CE1 3.38Å; I32-Y44 HydrophobicContact CD1-CD1 4.26Å; I32-Y44 HydrophobicContact CD1-CG 4.46Å; I32-Y44 HydrophobicContact CG2-CD1 4.2Å; G34-Y44 CarbonylContact O-C 3.39Å; G34-Y44 WeakPolarHBondContact O-CA 3.22Å; Q35-Y44 HydrophobicContact CB-CD1 4.31Å; Y44-S58 CarbonylContact O-C 3.58Å; Y44-S58 WeakPolarHBondContact O-CA 3.34Å; Y44-V59 PolarHBondContact N-O 3.09Å; Y44-V59 PolarHBondContact O-N 3.44Å; Y44-A61 HydrophobicContact CE2-CB 4.11Å; Y44-L64 HydrophobicContact CD2-CD1 3.74Å; Y44-L64 HydrophobicContact CG-CD1 4.03Å
45	R	93.1	Very high	82.8	Confident	119 Å²	119	95.2 Å²	95.2	45%	0.449	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	127.1	170.4	-176.5	178	170.5	177.7	-3.5	108.4	I32 I33 G34 D56 E57	I32-R45 CarbonylContact C-O 3.57Å; I32-R45 WeakPolarHBondContact CA-O 3.1Å; I33-R45 HydrophobicContact CD1-CG 4.04Å; I33-R45 HydrophobicContact CG1-CG 4.35Å; I33-R45 PolarHBondContact N-O 3.46Å; G34-R45 PolarHBondContact N-O 2.87Å; G34-R45 PolarHBondContact O-N 3.19Å; R45-D56 IonicContact CZ-OD2 3.37Å; R45-D56 IonicContact NE-OD2 3.26Å; R45-D56 PolarHBondContact NE-OD2 3.13Å; R45-D56 IonicContact NH2-OD2 3.9Å; R45-D56 PolarHBondContact NH2-OD2 3.1Å; R45-E57 WeakPolarHBondContact CA-O 3.48Å
46	I	93.5	Very high	82.9	Confident	0 Å²	0	91.3 Å²	91.3	0%	0	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	151.9	-176.3	54.7	168	0	0	0	111.7	C21 A30 T31 I32 Y48 D56 E57 V59 L64	C21-I46 HydrophobicContact CB-CD1 3.69Å; C21-I46 WeakPolarHBondContact SG-CD1 3.5Å; A30-I46 HydrophobicContact CB-CB 4.33Å; T31-I46 WeakPolarHBondContact O-CA 3.48Å; I32-I46 HydrophobicContact CG1-CG2 4.06Å; I46-Y48 HydrophobicContact CD1-CE1 4.16Å; I46-Y48 HydrophobicContact CD1-CE2 4.03Å; I46-D56 WeakPolarHBondContact O-CA 3.48Å; I46-E57 HydrophobicContact CD1-CG 4.12Å; I46-E57 HydrophobicContact CG1-CG 4.1Å; I46-E57 PolarHBondContact N-O 2.91Å; I46-V59 HydrophobicContact CD1-CG1 3.8Å; I46-V59 HydrophobicContact CD1-CG2 4Å; I46-V59 HydrophobicContact CG1-CG1 4.26Å; I46-V59 HydrophobicContact CG1-CG2 4.3Å; I46-V59 HydrophobicContact CG2-CG2 4.16Å; I46-L64 HydrophobicContact CG2-CD2 4.24Å
47	H	93.9	Very high	83.4	Confident	52 Å²	52	86.2 Å²	86.2	24%	0.241	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.4	166.5	-176.8	65.8	0	0	0	108.5	A30 T31 I33 W51 D56	A30-H47 CarbonylContact C-O 3.48Å; A30-H47 WeakPolarHBondContact CA-O 3.38Å; A30-H47 WeakPolarHBondContact CB-O 3.38Å; T31-H47 PolarHBondContact N-O 2.85Å; T31-H47 PolarHBondContact O-N 3.28Å; I33-H47 HydrophobicContact CD1-CB 3.68Å; I33-H47 HydrophobicContact CG1-CB 3.83Å; H47-W51 PolarHBondContact CE1-O 3.37Å; H47-D56 IonicContact CE1-OD1 2.68Å; H47-D56 IonicContact CG-OD1 3.2Å; H47-D56 IonicContact ND1-OD1 3.6Å; H47-D56 PolarHBondContact ND1-OD1 3.41Å
48	Y	93.4	Very high	84.3	Confident	3 Å²	3	81.2 Å²	81.2	1%	0.012	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	131.7	176.4	-72.7	-73.3	0	0	0	110.5	C21 A30 I46 G50 W51 E57 R63	C21-Y48 HydrophobicContact CB-CE1 3.94Å; C21-Y48 PolarHBondContact SG-OH 2.88Å; C21-Y48 VanDerWaalsContact SG-OH 3.41Å; A30-Y48 HydrophobicContact CB-CD1 4.16Å; A30-Y48 HydrophobicContact CB-CE1 4.48Å; I46-Y48 HydrophobicContact CD1-CE1 4.16Å; I46-Y48 HydrophobicContact CD1-CE2 4.03Å; Y48-G50 PolarHBondContact O-N 2.92Å; Y48-W51 PolarHBondContact O-N 2.95Å; Y48-W51 VanDerWaalsContact O-N 3.1Å; Y48-E57 HydrophobicContact CE2-CG 4.21Å; Y48-E57 PolarHBondContact OH-OE1 3.07Å; Y48-R63 PolarHBondContact OH-NH2 3.31Å
49	V	89.1	Confident	85.6	Confident	90 Å²	90	77.5 Å²	77.5	55%	0.545	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	112.1	-174	176.2	0	0	0	0	110.1	K29	K29-V49 HydrophobicContact CB-CB 4.32Å; K29-V49 HydrophobicContact CB-CG2 4.18Å; K29-V49 WeakPolarHBondContact O-CG2 3.46Å; K29-V49 PolarHBondContact O-N 3.08Å
50	G	85.2	Confident	86.8	Confident	81 Å²	81	67.3 Å²	67.3	84%	0.835	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.7	10.5	-179.4	0	0	0	0	0	115.2	Y48	Y48-G50 PolarHBondContact O-N 2.92Å
51	W	86.4	Confident	87.8	Confident	82 Å²	82	59.6 Å²	59.6	31%	0.311	33%	0.331	S	S	.	.	S	Bend	trans	-107.7	160.4	179.3	-64.3	50.3	0	0	0	110.6	Y28 H47 Y48 W55	Y28-W51 AromaticContact CD1-CZ2 3.95Å; Y28-W51 HydrophobicContact CD1-CZ2 3.95Å; Y28-W51 AromaticContact CE1-CZ2 3.81Å; Y28-W51 HydrophobicContact CE1-CZ2 3.81Å; H47-W51 PolarHBondContact CE1-O 3.37Å; Y48-W51 PolarHBondContact O-N 2.95Å; Y48-W51 VanDerWaalsContact O-N 3.1Å; W51-W55 HydrophobicContact CB-CB 4.42Å; W51-W55 HydrophobicContact CE3-CB 4.04Å; W51-W55 AromaticContact CE3-CD2 3.59Å; W51-W55 HydrophobicContact CE3-CD2 3.59Å; W51-W55 AromaticContact CE3-CE3 3.87Å; W51-W55 HydrophobicContact CE3-CE3 3.87Å; W51-W55 AromaticContact CE3-CG 3.66Å; W51-W55 HydrophobicContact CE3-CG 3.66Å; W51-W55 AromaticContact CZ3-CD2 3.8Å; W51-W55 HydrophobicContact CZ3-CD2 3.8Å; W51-W55 AromaticContact CZ3-CE3 3.62Å; W51-W55 HydrophobicContact CZ3-CE3 3.62Å; W51-W55 HydrophobicContact CZ3-CG 4.34Å; W51-W55 HydrophobicContact CZ3-CH2 4.37Å; W51-W55 AromaticContact CZ3-CZ3 3.92Å; W51-W55 HydrophobicContact CZ3-CZ3 3.92Å
52	G	82.9	Confident	88.8	Confident	29 Å²	29	59 Å²	59	30%	0.299	34%	0.335	S	S	.	.			trans	-72.7	159.5	175.5	0	0	0	0	0	113.2	E54 W55	G52-E54 WeakPolarHBondContact CA-OE1 3.41Å; G52-E54 VanDerWaalsContact CA-OE2 3.3Å; G52-E54 WeakPolarHBondContact CA-OE2 3.41Å; G52-E54 PolarHBondContact O-N 2.71Å; G52-W55 PolarHBondContact O-N 2.97Å
53	T	88.2	Confident	89.2	Confident	103 Å²	103	59.9 Å²	59.9	63%	0.632	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-66.7	-16.1	-177.8	49.5	0	0	0	0	113.6	W55 D56	T53-W55 PolarHBondContact O-N 3.45Å; T53-D56 WeakPolarHBondContact O-CB 3.22Å; T53-D56 PolarHBondContact O-N 2.96Å
54	E	81.9	Confident	89.4	Confident	143 Å²	143	58 Å²	58	67%	0.668	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-67.7	-12	170.9	70.8	-71	167.2	0	0	113.9	G52	G52-E54 WeakPolarHBondContact CA-OE1 3.41Å; G52-E54 VanDerWaalsContact CA-OE2 3.3Å; G52-E54 WeakPolarHBondContact CA-OE2 3.41Å; G52-E54 PolarHBondContact O-N 2.71Å
55	W	86.1	Confident	89.3	Confident	115 Å²	115	62.7 Å²	62.7	44%	0.436	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-98.8	4.4	173.9	-59.4	88.4	0	0	0	113.8	W51 G52 T53 E57	W51-W55 HydrophobicContact CB-CB 4.42Å; W51-W55 HydrophobicContact CE3-CB 4.04Å; W51-W55 AromaticContact CE3-CD2 3.59Å; W51-W55 HydrophobicContact CE3-CD2 3.59Å; W51-W55 AromaticContact CE3-CE3 3.87Å; W51-W55 HydrophobicContact CE3-CE3 3.87Å; W51-W55 AromaticContact CE3-CG 3.66Å; W51-W55 HydrophobicContact CE3-CG 3.66Å; W51-W55 AromaticContact CZ3-CD2 3.8Å; W51-W55 HydrophobicContact CZ3-CD2 3.8Å; W51-W55 AromaticContact CZ3-CE3 3.62Å; W51-W55 HydrophobicContact CZ3-CE3 3.62Å; W51-W55 HydrophobicContact CZ3-CG 4.34Å; W51-W55 HydrophobicContact CZ3-CH2 4.37Å; W51-W55 AromaticContact CZ3-CZ3 3.92Å; W51-W55 HydrophobicContact CZ3-CZ3 3.92Å; G52-W55 PolarHBondContact O-N 2.97Å; T53-W55 PolarHBondContact O-N 3.45Å; W55-E57 PolarHBondContact O-N 3.47Å
56	D	91	Very high	88.8	Confident	34 Å²	34	62.1 Å²	62.1	18%	0.182	35%	0.346	C	S	.	.			trans	-66.6	102.3	176.7	-78.1	8	0	0	0	111.6	I33 R45 I46 H47 T53	I33-D56 HydrophobicContact CD1-CB 4.34Å; I33-D56 WeakPolarHBondContact CD1-OD2 3.41Å; R45-D56 IonicContact CZ-OD2 3.37Å; R45-D56 IonicContact NE-OD2 3.26Å; R45-D56 PolarHBondContact NE-OD2 3.13Å; R45-D56 IonicContact NH2-OD2 3.9Å; R45-D56 PolarHBondContact NH2-OD2 3.1Å; I46-D56 WeakPolarHBondContact O-CA 3.48Å; H47-D56 IonicContact CE1-OD1 2.68Å; H47-D56 IonicContact CG-OD1 3.2Å; H47-D56 IonicContact ND1-OD1 3.6Å; H47-D56 PolarHBondContact ND1-OD1 3.41Å; T53-D56 WeakPolarHBondContact O-CB 3.22Å; T53-D56 PolarHBondContact O-N 2.96Å
57	E	92.2	Very high	87.9	Confident	51 Å²	51	65.7 Å²	65.7	24%	0.238	37%	0.367	C	S	.	.			trans	-106.5	169.9	177.6	66	162.5	134.5	0	0	114.1	R45 I46 Y48 W55 V59 R63	R45-E57 WeakPolarHBondContact CA-O 3.48Å; I46-E57 HydrophobicContact CD1-CG 4.12Å; I46-E57 HydrophobicContact CG1-CG 4.1Å; I46-E57 PolarHBondContact N-O 2.91Å; Y48-E57 HydrophobicContact CE2-CG 4.21Å; Y48-E57 PolarHBondContact OH-OE1 3.07Å; W55-E57 PolarHBondContact O-N 3.47Å; E57-V59 HydrophobicContact CG-CG1 3.81Å; E57-V59 WeakPolarHBondContact OE2-CG1 3.26Å; E57-R63 VanDerWaalsContact CD-NH1 3.35Å; E57-R63 IonicContact OE1-CZ 2.65Å; E57-R63 IonicContact OE1-NH1 3.85Å; E57-R63 PolarHBondContact OE1-NH1 3.23Å; E57-R63 IonicContact OE1-NH2 2.66Å; E57-R63 PolarHBondContact OE1-NH2 3.17Å; E57-R63 IonicContact OE2-CZ 2.74Å; E57-R63 IonicContact OE2-NH1 2.73Å; E57-R63 PolarHBondContact OE2-NH1 2.96Å; E57-R63 IonicContact OE2-NH2 3.36Å
58	S	91.7	Very high	86	Confident	68 Å²	68	67.4 Å²	67.4	48%	0.476	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	104.4	-179.4	-65.7	0	0	0	0	111	Y44	Y44-S58 CarbonylContact O-C 3.58Å; Y44-S58 WeakPolarHBondContact O-CA 3.34Å
59	V	90.5	Very high	83.5	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	150	-168.1	-57	0	0	0	0	113	L43 Y44 I46 E57 R63 L64	L43-V59 WeakPolarHBondContact CA-O 3.33Å; Y44-V59 PolarHBondContact N-O 3.09Å; Y44-V59 PolarHBondContact O-N 3.44Å; I46-V59 HydrophobicContact CD1-CG1 3.8Å; I46-V59 HydrophobicContact CD1-CG2 4Å; I46-V59 HydrophobicContact CG1-CG1 4.26Å; I46-V59 HydrophobicContact CG1-CG2 4.3Å; I46-V59 HydrophobicContact CG2-CG2 4.16Å; E57-V59 HydrophobicContact CG-CG1 3.81Å; E57-V59 WeakPolarHBondContact OE2-CG1 3.26Å; V59-R63 HydrophobicContact CB-CB 4.24Å; V59-L64 HydrophobicContact CG2-CD1 4.05Å; V59-L64 HydrophobicContact CG2-CD2 3.74Å; V59-L64 HydrophobicContact CG2-CG 3.85Å
60	P	90.4	Very high	80.9	Confident	38 Å²	38	74.6 Å²	74.6	25%	0.247	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	161.4	168	32.8	-36.1	0	0	0	111.3	L43 S62 R63	L43-P60 HydrophobicContact CD2-CB 4.33Å; P60-S62 PolarHBondContact O-N 3.29Å; P60-S62 VanDerWaalsContact O-N 3.1Å; P60-R63 PolarHBondContact O-N 2.87Å; P60-R63 VanDerWaalsContact O-N 3.12Å
61	A	87.2	Confident	78.6	Confident	38 Å²	38	80.6 Å²	80.6	31%	0.314	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-54	-30.9	178	0	0	0	0	0	114	Y44 R63 L64	Y44-A61 HydrophobicContact CE2-CB 4.11Å; A61-R63 PolarHBondContact O-N 3.33Å; A61-L64 PolarHBondContact O-N 3.38Å
62	S	86.3	Confident	75.9	Confident	100 Å²	100	86.5 Å²	86.5	70%	0.699	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-66.3	-18.7	-179.7	51.5	0	0	0	0	114.9	P60 L64	P60-S62 PolarHBondContact O-N 3.29Å; P60-S62 VanDerWaalsContact O-N 3.1Å; S62-L64 VanDerWaalsContact C-N 3.35Å
63	R	90.6	Very high	73.6	Confident	56 Å²	56	90.5 Å²	90.5	21%	0.211	50%	0.5	C	S	.	.	G	3₁₀ helix	trans	-91.1	7.2	172.7	-81.6	-177.3	63.1	-156.1	-8	113.1	C21 E22 Y48 E57 V59 P60 A61	C21-R63 CarbonylContact C-O 3.6Å; C21-R63 WeakPolarHBondContact CA-O 3.45Å; C21-R63 PolarHBondContact SG-O 2.65Å; E22-R63 PolarHBondContact N-O 3.43Å; E22-R63 PolarHBondContact O-NE 3.09Å; E22-R63 PolarHBondContact O-NH2 3.18Å; Y48-R63 PolarHBondContact OH-NH2 3.31Å; E57-R63 VanDerWaalsContact CD-NH1 3.35Å; E57-R63 IonicContact OE1-CZ 2.65Å; E57-R63 IonicContact OE1-NH1 3.85Å; E57-R63 PolarHBondContact OE1-NH1 3.23Å; E57-R63 IonicContact OE1-NH2 2.66Å; E57-R63 PolarHBondContact OE1-NH2 3.17Å; E57-R63 IonicContact OE2-CZ 2.74Å; E57-R63 IonicContact OE2-NH1 2.73Å; E57-R63 PolarHBondContact OE2-NH1 2.96Å; E57-R63 IonicContact OE2-NH2 3.36Å; V59-R63 HydrophobicContact CB-CB 4.24Å; P60-R63 PolarHBondContact O-N 2.87Å; P60-R63 VanDerWaalsContact O-N 3.12Å; A61-R63 PolarHBondContact O-N 3.33Å
64	L	91	Very high	71	Confident	11 Å²	11	91.9 Å²	91.9	6%	0.058	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	140.8	-174.1	-62.1	-179.2	0	0	0	112.2	Y13 V19 E20 C21 I32 Y44 I46 V59 A61 S62	Y13-L64 HydrophobicContact CD2-CB 4.44Å; Y13-L64 HydrophobicContact CD2-CD1 3.98Å; Y13-L64 HydrophobicContact CE2-CB 3.7Å; Y13-L64 HydrophobicContact CE2-CD1 4.07Å; Y13-L64 VanDerWaalsContact OH-C 3.25Å; Y13-L64 PolarHBondContact OH-O 2.94Å; V19-L64 HydrophobicContact CB-CD2 4.5Å; V19-L64 HydrophobicContact CG2-CD2 3.95Å; E20-L64 WeakPolarHBondContact O-CA 3.24Å; C21-L64 HydrophobicContact CB-CD2 3.66Å; I32-L64 HydrophobicContact CD1-CD1 4.28Å; Y44-L64 HydrophobicContact CD2-CD1 3.74Å; Y44-L64 HydrophobicContact CG-CD1 4.03Å; I46-L64 HydrophobicContact CG2-CD2 4.24Å; V59-L64 HydrophobicContact CG2-CD1 4.05Å; V59-L64 HydrophobicContact CG2-CD2 3.74Å; V59-L64 HydrophobicContact CG2-CG 3.85Å; A61-L64 PolarHBondContact O-N 3.38Å; S62-L64 VanDerWaalsContact C-N 3.35Å
65	R	90.1	Very high	68.6	Low	104 Å²	104	90.7 Å²	90.7	39%	0.392	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	153.6	166.5	71.2	-173.1	-171.7	-168	3	111.8	Y13 V19 E20 W27	Y13-R65 WeakPolarHBondContact OH-CA 3.27Å; V19-R65 WeakPolarHBondContact CA-O 3.26Å; E20-R65 HydrophobicContact CB-CG 3.92Å; E20-R65 PolarHBondContact N-O 2.85Å; E20-R65 PolarHBondContact O-N 2.9Å; E20-R65 IonicContact OE2-CZ 3.47Å; E20-R65 IonicContact OE2-NE 3.56Å; E20-R65 PolarHBondContact OE2-NE 3.38Å; E20-R65 IonicContact OE2-NH2 2.72Å; E20-R65 PolarHBondContact OE2-NH2 2.96Å; W27-R65 HydrophobicContact CE3-CG 3.75Å; W27-R65 VanDerWaalsContact CG-CZ 3.49Å; W27-R65 HydrophobicContact CH2-CB 4.34Å; W27-R65 HydrophobicContact CH2-CG 4.21Å; W27-R65 HydrophobicContact CZ3-CB 4.01Å; W27-R65 HydrophobicContact CZ3-CG 3.58Å
66	K	83.1	Confident	65.8	Low	107 Å²	107	91.7 Å²	91.7	47%	0.465	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	144.1	172.1	-64.5	-176.6	-171.2	-92.4	0	110.3	Y13 E17 A68	Y13-K66 HydrophobicContact CD1-CG 4.41Å; Y13-K66 HydrophobicContact CE1-CG 3.68Å; E17-K66 IonicContact OE1-NZ 3.21Å; E17-K66 PolarHBondContact OE1-NZ 3.4Å; E17-K66 IonicContact OE2-NZ 3.05Å; K66-A68 PolarHBondContact O-N 3.5Å
67	V	75.7	Confident	62.8	Low	75 Å²	75	99.4 Å²	99.4	46%	0.455	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-67.6	125.2	176.4	-174.9	0	0	0	0	109.5	E20	E20-V67 HydrophobicContact CG-CG2 4.28Å
68	A	53.7	Low	59.6	Low	87 Å²	87	101.6 Å²	101.6	72%	0.719	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-70.2	132.4	-179.4	0	0	0	0	0	111.9	K66 T70	K66-A68 PolarHBondContact O-N 3.5Å; A68-T70 PolarHBondContact O-N 3.15Å
69	A	39.2	Very low	56.6	Low	104 Å²	104	104.1 Å²	104.1	86%	0.86	60%	0.603	S	S	*	*			trans	-88.9	90	-177.3	0	0	0	0	0	112
70	T	35.4	Very low	53.6	Low	141 Å²	141	108.3 Å²	108.3	87%	0.865	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-66.8	134.2	170.7	-5	0	0	0	0	110.9	A68	A68-T70 PolarHBondContact O-N 3.15Å
71	K	36.6	Very low	50.7	Low	207 Å²	207	114.7 Å²	114.7	90%	0.9	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-70.8	146.2	-176.3	-69	179.8	177.9	177.4	0	111.9
72	K	29.9	Very low	48	Very low	206 Å²	206	118.1 Å²	118.1	90%	0.896	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-78	141.2	178.1	-68.4	-179.1	175.8	-178.5	0	113
73	S	35.3	Very low	45.5	Very low	113 Å²	113	118.2 Å²	118.2	79%	0.79	67%	0.67	S	S	*	*			trans	-132.1	106.7	138.7	41.4	0	0	0	0	106.1
74	V	32.3	Very low	42.7	Very low	132 Å²	132	119.8 Å²	119.8	80%	0.8	69%	0.687	S	S	*	*				69.3	80.8	89.4	-180	0	0	0	0	112.9
75	S	31.2	Very low	40	Very low	117 Å²	117	124.7 Å²	124.7	82%	0.818	71%	0.712	S	S	*	*				-169.8	114	129.1	17.5	0	0	0	0	111.4
76	D	27.7	Very low	37.4	Very low	137 Å²	137	122.4 Å²	122.4	73%	0.733	72%	0.715	S	S	*	*			trans	6.1	142.1	156.8	-65.1	-3.2	0	0	0	124
77	K	28	Very low	35	Very low	196 Å²	196	123.6 Å²	123.6	85%	0.852	72%	0.717	S	S	*	*			trans	66.9	85.9	149.8	-63.7	159.7	-171	168.3	0	118.1
78	A	25.5	Very low	33.2	Very low	96 Å²	96	125.8 Å²	125.8	79%	0.793	73%	0.725	S	S	*	*			trans	-116.3	130.4	153.1	0	0	0	0	0	109.9
79	P	29	Very low	32.2	Very low	122 Å²	122	129 Å²	129	79%	0.792	72%	0.723	S	S	*	*			trans	-80.4	174.7	-178.2	33.5	-35.9	0	0	0	113
80	A	27.9	Very low	31.9	Very low	87 Å²	87	131.6 Å²	131.6	72%	0.719	72%	0.718	S	S	*	*			trans	-62.1	134.8	-178.8	0	0	0	0	0	112.8	E82	A80-E82 PolarHBondContact O-N 3.12Å; A80-E82 VanDerWaalsContact O-N 3.08Å
81	I	29.8	Very low	31.7	Very low	172 Å²	172	133 Å²	133	88%	0.882	71%	0.711	S	S	*	*			trans	-79.3	89.4	171.8	-57.5	175.2	0	0	0	107.8
82	E	29.9	Very low	31.5	Very low	111 Å²	111	130 Å²	130	52%	0.519	71%	0.705	S	S	.	*			trans	-74.5	146.8	169.4	-81.2	178.2	-125.3	0	0	111.7	A80 P84 R87	A80-E82 PolarHBondContact O-N 3.12Å; A80-E82 VanDerWaalsContact O-N 3.08Å; E82-P84 WeakPolarHBondContact O-CD 3.45Å; E82-R87 IonicContact OE1-CZ 2.68Å; E82-R87 IonicContact OE1-NH2 3.83Å; E82-R87 PolarHBondContact OE1-NH2 2.9Å; E82-R87 IonicContact OE2-CZ 3.57Å; E82-R87 IonicContact OE2-NE 2.85Å; E82-R87 PolarHBondContact OE2-NE 3.01Å; E82-R87 IonicContact OE2-NH2 2.74Å; E82-R87 PolarHBondContact OE2-NH2 3.24Å
83	D	32.7	Very low	31.4	Very low	102 Å²	102	128.9 Å²	128.9	55%	0.545	70%	0.7	S	S	.	*			trans	-63.3	114.3	-171.1	-156.6	-31.5	0	0	0	112.1	I85 A86 R87	D83-I85 PolarHBondContact O-N 3.3Å; D83-I85 VanDerWaalsContact O-N 3.1Å; D83-I85 PolarHBondContact OD1-N 2.95Å; D83-A86 HydrophobicContact CB-CB 4.01Å; D83-A86 WeakPolarHBondContact O-CB 3.11Å; D83-A86 PolarHBondContact O-N 3.41Å; D83-R87 PolarHBondContact O-N 3.32Å
84	P	32.6	Very low	31	Very low	89 Å²	89	128.9 Å²	128.9	58%	0.578	70%	0.695	S	S	*	*	H	α-helix	trans	-58.6	-29	-176.4	-25.7	35.1	0	0	0	113.2	E82 L88	E82-P84 WeakPolarHBondContact O-CD 3.45Å; P84-L88 PolarHBondContact O-N 2.92Å
85	I	34.4	Very low	30.8	Very low	114 Å²	114	128.4 Å²	128.4	59%	0.585	70%	0.696	S	S	*	*	H	α-helix	trans	-80.5	-20.2	-177.3	-59.3	175.3	0	0	0	111.4	D83	D83-I85 PolarHBondContact O-N 3.3Å; D83-I85 VanDerWaalsContact O-N 3.1Å; D83-I85 PolarHBondContact OD1-N 2.95Å
86	A	36.3	Very low	30.6	Very low	55 Å²	55	128.9 Å²	128.9	46%	0.455	69%	0.694	S	S	.	*	H	α-helix	trans	-78.1	-53.3	173.7	0	0	0	0	0	111.4	D83 L88 K89 E90	D83-A86 HydrophobicContact CB-CB 4.01Å; D83-A86 WeakPolarHBondContact O-CB 3.11Å; D83-A86 PolarHBondContact O-N 3.41Å; A86-L88 PolarHBondContact O-N 2.87Å; A86-K89 PolarHBondContact O-N 2.71Å; A86-E90 PolarHBondContact O-N 2.68Å
87	R	32.7	Very low	30.7	Very low	132 Å²	132	125.2 Å²	125.2	50%	0.498	68%	0.683	S	S	.	*	H	α-helix	trans	-60	-31.8	-177.9	-75	-177.8	167.9	-158.4	-4.8	113.2	E82 D83 K89 E90 K91	E82-R87 IonicContact OE1-CZ 2.68Å; E82-R87 IonicContact OE1-NH2 3.83Å; E82-R87 PolarHBondContact OE1-NH2 2.9Å; E82-R87 IonicContact OE2-CZ 3.57Å; E82-R87 IonicContact OE2-NE 2.85Å; E82-R87 PolarHBondContact OE2-NE 3.01Å; E82-R87 IonicContact OE2-NH2 2.74Å; E82-R87 PolarHBondContact OE2-NH2 3.24Å; D83-R87 PolarHBondContact O-N 3.32Å; R87-K89 VanDerWaalsContact C-N 3.33Å; R87-K89 PolarHBondContact O-N 2.72Å; R87-E90 PolarHBondContact O-N 3.16Å; R87-K91 PolarHBondContact O-N 3.13Å; R87-K91 VanDerWaalsContact O-N 3.08Å
88	L	36.8	Very low	31.1	Very low	121 Å²	121	121.6 Å²	121.6	63%	0.634	68%	0.679	S	S	*	*	H	α-helix	trans	-66.7	-26.9	174.1	-84.9	168.2	0	0	0	114.2	P84 A86	P84-L88 PolarHBondContact O-N 2.92Å; A86-L88 PolarHBondContact O-N 2.87Å
89	K	32.6	Very low	31.3	Very low	156 Å²	156	123.3 Å²	123.3	68%	0.678	68%	0.682	S	S	*	*	H	α-helix	trans	-83.2	-16.3	177.9	-71.2	175.5	-179.4	172.2	0	113.3	A86 R87	A86-K89 PolarHBondContact O-N 2.71Å; R87-K89 VanDerWaalsContact C-N 3.33Å; R87-K89 PolarHBondContact O-N 2.72Å
90	E	32.9	Very low	31.1	Very low	158 Å²	158	121.1 Å²	121.1	74%	0.738	68%	0.682	S	S	*	*	H	α-helix	trans	-102.3	-38.9	-176.9	-159.2	158.4	-132.9	0	0	112.4	A86 R87 L92	A86-E90 PolarHBondContact O-N 2.68Å; R87-E90 PolarHBondContact O-N 3.16Å; E90-L92 PolarHBondContact O-N 3.41Å
91	K	31.5	Very low	31.1	Very low	169 Å²	169	121.8 Å²	121.8	74%	0.735	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-68.5	-12.6	175.3	-75.4	-165.9	171.9	-169.1	0	115	R87 K93	R87-K91 PolarHBondContact O-N 3.13Å; R87-K91 VanDerWaalsContact O-N 3.08Å; K91-K93 VanDerWaalsContact C-N 3.25Å; K91-K93 PolarHBondContact O-N 3.02Å
92	L	32.6	Very low	31	Very low	146 Å²	146	116.5 Å²	116.5	76%	0.764	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-81.3	10	-179.9	-120.2	77.6	0	0	0	115	E90	E90-L92 PolarHBondContact O-N 3.41Å
93	K	27.3	Very low	30.8	Very low	181 Å²	181	117.3 Å²	117.3	79%	0.787	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-115.1	2.7	-170.8	-82	-176.8	174	176.4	0	116.7	K91	K91-K93 VanDerWaalsContact C-N 3.25Å; K91-K93 PolarHBondContact O-N 3.02Å
94	T	27.2	Very low	30.7	Very low	114 Å²	114	116.3 Å²	116.3	70%	0.699	68%	0.675	S	S	*	*			trans	-136.5	161.9	-179.6	45.3	0	0	0	0	112.6
95	C	28.7	Very low	30.6	Very low	121 Å²	121	120.4 Å²	120.4	82%	0.818	68%	0.684	S	S	*	*			trans	75.1	53.7	171.8	-56.7	0	0	0	0	119.3
96	V	27.6	Very low	30.3	Very low	127 Å²	127	119.5 Å²	119.5	77%	0.77	68%	0.68	S	S	*	*				20.9	101.5	126	-170.1	0	0	0	0	120.1
97	A	28.3	Very low	30	Very low	60 Å²	60	122.2 Å²	122.2	50%	0.496	69%	0.687	S	S	.	*			trans	66.1	176.2	134.8	0	0	0	0	0	119.9
98	P	37.9	Very low	29.9	Very low	120 Å²	120	123.8 Å²	123.8	78%	0.779	70%	0.699	S	S	*	*			cis	-117.8	-172.4	-40.2	28.8	-9.9	0	0	0	111.1
99	P	28	Very low	29.4	Very low	132 Å²	132	122.9 Å²	122.9	86%	0.857	70%	0.701	S	S	*	*			cis	-114.4	-96.3	-12.4	34.7	-17.8	0	0	0	111.4	S101	P99-S101 PolarHBondContact O-N 2.93Å
100	G	26	Very low	29.2	Very low	76 Å²	76	121.5 Å²	121.5	78%	0.784	70%	0.699	S	S	*	*			trans	83.3	-8.3	156.5	0	0	0	0	0	119.5
101	S	28.4	Very low	29	Very low	101 Å²	101	121.4 Å²	121.4	71%	0.706	70%	0.703	S	S	*	*			trans	-68.6	142.1	178.2	50.2	0	0	0	0	112.2	P99	P99-S101 PolarHBondContact O-N 2.93Å
102	G	27.4	Very low	29	Very low	62 Å²	62	118.7 Å²	118.7	64%	0.639	70%	0.701	S	S	*	*			cis	127.9	98.1	9.3	0	0	0	0	0	108.9	P104	G102-P104 WeakPolarHBondContact O-CD 3.49Å
103	I	25.8	Very low	28.7	Very low	128 Å²	128	115 Å²	115	66%	0.656	70%	0.697	S	S	*	*			trans	-99.2	116.5	-165.9	-56.1	175.6	0	0	0	111
104	P	29.1	Very low	28.8	Very low	80 Å²	80	115.8 Å²	115.8	52%	0.519	70%	0.701	S	S	.	*			trans	-72.7	145	172.4	-15.6	31.6	0	0	0	112.2	G102 L106	G102-P104 WeakPolarHBondContact O-CD 3.49Å; P104-L106 PolarHBondContact O-N 2.78Å
105	K	30.2	Very low	28.7	Very low	176 Å²	176	120.9 Å²	120.9	77%	0.765	71%	0.714	S	S	*	*			trans	-80.8	97.5	178.5	-66.7	174.9	-175.8	167.3	0	111.6	N107	K105-N107 PolarHBondContact O-N 3.49Å
106	L	28.5	Very low	28.7	Very low	95 Å²	95	125.9 Å²	125.9	50%	0.497	72%	0.715	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.9	76.8	164.2	-94.5	148.9	0	0	0	110.5	P104 Q234	P104-L106 PolarHBondContact O-N 2.78Å; L106-Q234 HydrophobicContact CD1-CB 4.16Å; L106-Q234 WeakPolarHBondContact CD1-O 3.22Å
107	N	29.7	Very low	28.6	Very low	112 Å²	112	131.2 Å²	131.2	60%	0.599	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156.8	9.2	172.8	-104.3	-19.4	0	0	0	115.1	K105	K105-N107 PolarHBondContact O-N 3.49Å
108	E	30.4	Very low	28.7	Very low	164 Å²	164	134.5 Å²	134.5	77%	0.766	74%	0.738	S	S	*	*	S	Bend	trans	-107.5	133.2	174.7	-72.3	-179.9	-165.9	0	0	111.2	M110	E108-M110 PolarHBondContact O-N 3.15Å
109	P	28.4	Very low	28.3	Very low	103 Å²	103	140.3 Å²	140.3	67%	0.669	74%	0.744	S	S	*	*			trans	-71.1	124	176.9	28.6	-33.3	0	0	0	110.5	N111	P109-N111 PolarHBondContact O-N 3Å
110	M	28.2	Very low	28.3	Very low	127 Å²	127	145.3 Å²	145.3	63%	0.626	75%	0.746	S	S	*	*			trans	-58.8	95.5	179.7	-82.1	-175.8	64.6	0	0	112.5	E108 T112 F270	E108-M110 PolarHBondContact O-N 3.15Å; M110-T112 HydrophobicContact CE-CG2 3.9Å; M110-T112 PolarHBondContact O-N 2.74Å; M110-F270 HydrophobicContact SD-CE1 4Å
111	N	27.1	Very low	28.6	Very low	155 Å²	155	147.6 Å²	147.6	83%	0.829	75%	0.747	S	S	*	*			trans	-81.2	64.4	179.7	-167.4	5.7	0	0	0	111.6	P109 G113	P109-N111 PolarHBondContact O-N 3Å; N111-G113 VanDerWaalsContact C-N 3.26Å; N111-G113 PolarHBondContact O-N 2.68Å
112	T	32.3	Very low	28.5	Very low	113 Å²	113	148.7 Å²	148.7	69%	0.693	75%	0.753	S	S	*	*			trans	-74.4	78.6	176.2	56.9	0	0	0	0	110.8	M110 K114	M110-T112 HydrophobicContact CE-CG2 3.9Å; M110-T112 PolarHBondContact O-N 2.74Å; T112-K114 PolarHBondContact O-N 2.94Å
113	G	25.8	Very low	28.5	Very low	67 Å²	67	153.1 Å²	153.1	69%	0.691	76%	0.763	S	S	*	*			trans	-64.1	101.4	-176.3	0	0	0	0	0	114.1	N111	N111-G113 VanDerWaalsContact C-N 3.26Å; N111-G113 PolarHBondContact O-N 2.68Å
114	K	29.1	Very low	28.8	Very low	198 Å²	198	153 Å²	153	86%	0.861	77%	0.767	S	S	*	*			trans	-146.3	105.9	154.7	-109.3	168.5	-172.2	173.4	0	110.1	T112 R116	T112-K114 PolarHBondContact O-N 2.94Å; K114-R116 PolarHBondContact O-N 3.26Å
115	K	25.9	Very low	29	Very low	222 Å²	222	157 Å²	157	97%	0.965	78%	0.779	S	S	*	*			trans	-56	105.4	-177.2	-66.2	176.9	179.9	174.9	0	111
116	R	27.8	Very low	29	Very low	226 Å²	226	155.6 Å²	155.6	85%	0.853	78%	0.78	S	S	*	*			trans	-108.8	121.7	164.4	-85.9	-176	161.4	174.7	-4.2	108.8	K114	K114-R116 PolarHBondContact O-N 3.26Å
117	R	26.4	Very low	29	Very low	238 Å²	238	157.2 Å²	157.2	90%	0.898	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-62.5	143.6	177.8	-65.5	177.3	175.9	176.7	-3.3	110.1
118	P	30.9	Very low	29.1	Very low	130 Å²	130	159.1 Å²	159.1	84%	0.844	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-62.6	138.2	171	27.6	-33.9	0	0	0	110.1
119	R	28.8	Very low	29.1	Very low	241 Å²	241	157.4 Å²	157.4	91%	0.909	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-80.8	130.1	169.8	-70.7	177.9	170.2	179.3	-5.3	108.5
120	R	27.6	Very low	29.2	Very low	237 Å²	237	156.6 Å²	156.6	89%	0.894	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-67.6	145.7	166.5	-74.4	-176.1	172.7	-177.9	-3.5	109.8
121	P	32	Very low	29.3	Very low	125 Å²	125	159.1 Å²	159.1	81%	0.812	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-61.4	168.1	159.6	-20.8	34.2	0	0	0	112.1
122	C	28.1	Very low	29.5	Very low	123 Å²	123	157.5 Å²	157.5	83%	0.831	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-86.7	163.1	-166.9	-63.3	0	0	0	0	115.3
123	N	26.9	Very low	29.5	Very low	156 Å²	156	159 Å²	159	83%	0.834	80%	0.803	S	S	*	*			trans	-30.7	141.5	174.7	-48.6	1.9	0	0	0	117.1
124	V	31.2	Very low	29.6	Very low	125 Å²	125	158.6 Å²	158.6	76%	0.758	80%	0.799	S	S	*	*				-132.5	140.4	115.1	-177.7	0	0	0	0	107.5
125	Q	33.5	Very low	29.8	Very low	163 Å²	163	159.1 Å²	159.1	76%	0.762	80%	0.801	S	S	*	*			trans	4.4	140.8	165.2	-62.5	147.1	-16.8	0	0	119.9
126	D	31.4	Very low	30.2	Very low	147 Å²	147	156.6 Å²	156.6	79%	0.786	79%	0.792	S	S	*	*			cis	-171.7	-159.1	-20.8	-122.3	-63.2	0	0	0	106.2
127	E	28.2	Very low	30.1	Very low	130 Å²	130	150.1 Å²	150.1	61%	0.607	78%	0.781	S	S	*	*			cis	-154.7	-142.2	4.1	-147	-159	148.4	0	0	111.1
128	K	31	Very low	30.3	Very low	152 Å²	152	150.2 Å²	150.2	66%	0.661	78%	0.781	S	S	*	*			trans	-13.6	140	157.2	-66.5	160.8	-177.6	127.3	0	117.2
129	T	31.3	Very low	30.1	Very low	128 Å²	128	153.1 Å²	153.1	79%	0.785	78%	0.781	S	S	*	*			cis	-160.4	156	14.1	-6.4	0	0	0	0	113.4
130	A	29.7	Very low	30.1	Very low	85 Å²	85	153.7 Å²	153.7	70%	0.702	78%	0.783	S	S	*	*			trans	35	143.6	137.1	0	0	0	0	0	121.7
131	K	30.2	Very low	30	Very low	181 Å²	181	148.6 Å²	148.6	79%	0.787	77%	0.773	S	S	*	*			cis	-171.1	154.3	12.1	-121.7	169.6	-174.3	174	0	110.2
132	T	30.4	Very low	29.8	Very low	121 Å²	121	149.3 Å²	149.3	74%	0.742	77%	0.77	S	S	*	*			trans	51.8	138.9	151.8	51.9	0	0	0	0	120
133	T	32.6	Very low	29.7	Very low	145 Å²	145	148.2 Å²	148.2	89%	0.89	76%	0.764	S	S	*	*			cis	-164.4	179.4	2.3	5.6	0	0	0	0	107.4
134	G	29.5	Very low	29.7	Very low	57 Å²	57	146 Å²	146	59%	0.588	76%	0.761	S	S	*	*			cis	159.5	173	1.3	0	0	0	0	0	111
135	K	33.3	Very low	29.7	Very low	209 Å²	209	146.5 Å²	146.5	91%	0.909	76%	0.764	S	S	*	*			trans	66	136.7	-174.6	-58.4	178	-178.4	176	0	115.5
136	H	32.8	Very low	29.4	Very low	169 Å²	169	144.7 Å²	144.7	78%	0.782	76%	0.764	S	S	*	*			cis	-158	149.7	-26.1	-138.8	14.8	0	0	0	111.6
137	C	25.9	Very low	29.6	Very low	91 Å²	91	146.4 Å²	146.4	62%	0.615	77%	0.767	S	S	*	*			trans	20.1	140.4	140.8	-72.1	0	0	0	0	121.1
138	R	31.7	Very low	29.5	Very low	239 Å²	239	146.4 Å²	146.4	90%	0.902	77%	0.767	S	S	*	*			cis	-157.1	153.2	22.8	-114.4	152.3	-170.5	175.1	1.9	112
139	K	26.4	Very low	29.5	Very low	192 Å²	192	149.4 Å²	149.4	84%	0.835	78%	0.779	S	S	*	*			trans	-86.3	155.7	158.6	-73	-179.4	175	-179.8	0	110.6
140	R	28.6	Very low	29.3	Very low	252 Å²	252	151.7 Å²	151.7	95%	0.951	78%	0.779	S	S	*	*			trans	-154.6	157	131	-119.2	174.9	-179.3	165.6	-0.3	110.6
141	N	26.4	Very low	29.2	Very low	131 Å²	131	151 Å²	151	70%	0.701	78%	0.78	S	S	*	*			trans	-101.7	171.8	-177.4	-69.9	10.1	0	0	0	112.5
142	D	26.7	Very low	29.2	Very low	139 Å²	139	147.6 Å²	147.6	74%	0.743	78%	0.778	S	S	*	*			trans	96.1	151.6	131.8	-86.6	-52.7	0	0	0	120.8
143	S	26.8	Very low	28.9	Very low	100 Å²	100	147.4 Å²	147.4	70%	0.699	78%	0.782	S	S	*	*			trans	60.2	97.9	172.9	48.8	0	0	0	0	118.7
144	S	27	Very low	28.9	Very low	111 Å²	111	145.6 Å²	145.6	78%	0.776	78%	0.775	S	S	*	*				34.5	115.8	128.7	59.8	0	0	0	0	121.1
145	V	31.3	Very low	29.1	Very low	135 Å²	135	149 Å²	149	82%	0.818	79%	0.785	S	S	*	*				-141.6	140	121.4	167.7	0	0	0	0	108.1
146	V	27	Very low	29.2	Very low	125 Å²	125	144.8 Å²	144.8	76%	0.758	77%	0.772	S	S	*	*			trans	-92	133.6	170.6	173.6	0	0	0	0	109.3
147	H	34.1	Very low	29.6	Very low	183 Å²	183	142 Å²	142	85%	0.847	76%	0.763	S	S	*	*			trans	-145.1	127	151.9	-106.2	-68.1	0	0	0	111.6
148	E	26.2	Very low	30.3	Very low	130 Å²	130	141.4 Å²	141.4	61%	0.607	76%	0.76	S	S	*	*			trans	-73.5	151.5	176.5	-50.4	179.1	120.5	0	0	111.9	K150	E148-K150 WeakPolarHBondContact OE2-CE 3.42Å; E148-K150 IonicContact OE2-NZ 3.04Å; E148-K150 PolarHBondContact OE2-NZ 2.97Å
149	K	30.9	Very low	31	Very low	214 Å²	214	133.7 Å²	133.7	93%	0.93	74%	0.736	S	S	*	*			trans	-128	135.6	133.8	-86	-169.3	173.9	178.9	0	109.4
150	K	27.7	Very low	32.2	Very low	177 Å²	177	126.7 Å²	126.7	77%	0.77	71%	0.708	S	S	*	*			trans	-88.2	148.6	-164.8	-63.5	176.5	-179.6	177.4	0	111.8	E148	E148-K150 WeakPolarHBondContact OE2-CE 3.42Å; E148-K150 IonicContact OE2-NZ 3.04Å; E148-K150 PolarHBondContact OE2-NZ 2.97Å
151	G	27.5	Very low	33.3	Very low	70 Å²	70	121.6 Å²	121.6	72%	0.722	69%	0.693	S	S	*	*			trans	-171	82.6	177.3	0	0	0	0	0	112.3	S153	G151-S153 PolarHBondContact O-N 3.17Å
152	S	30	Very low	34.7	Very low	109 Å²	109	125.4 Å²	125.4	76%	0.762	70%	0.697	S	S	*	*			trans	15.8	92.3	168.8	59.1	0	0	0	0	117.7
153	S	25.2	Very low	36.3	Very low	117 Å²	117	119.3 Å²	119.3	82%	0.818	66%	0.664	S	S	*	*				58.1	90	85.6	76.7	0	0	0	0	115.9	G151	G151-S153 PolarHBondContact O-N 3.17Å
154	S	31.1	Very low	38.1	Very low	107 Å²	107	116 Å²	116	75%	0.748	64%	0.639	S	S	*	*			trans	-139.3	139.2	142.2	63.3	0	0	0	0	108.3
155	T	33.5	Very low	40	Very low	130 Å²	130	112.4 Å²	112.4	80%	0.798	61%	0.612	S	S	*	*			trans	-90	-1.2	-168.9	38.2	0	0	0	0	114.3	S158	T155-S158 PolarHBondContact O-OG 3.34Å
156	D	37.1	Very low	41.6	Very low	119 Å²	119	113.2 Å²	113.2	64%	0.636	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-70.7	-39.7	-164.5	-152.7	14.1	0	0	0	113.5	S158 I159	D156-S158 PolarHBondContact O-N 3.19Å; D156-I159 PolarHBondContact O-N 3.13Å
157	D	39.9	Very low	43.7	Very low	111 Å²	111	108 Å²	108	59%	0.594	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-68.8	-2.8	-171.5	-164.4	46	0	0	0	114.9	K161	D157-K161 PolarHBondContact O-NZ 3.18Å; D157-K161 IonicContact OD1-NZ 2.7Å; D157-K161 PolarHBondContact OD1-NZ 3.39Å; D157-K161 IonicContact OD2-NZ 3.9Å; D157-K161 PolarHBondContact OD2-NZ 2.92Å
158	S	40.2	Very low	45.7	Very low	78 Å²	78	99.4 Å²	99.4	55%	0.545	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-87	-31.7	-177.1	68.2	0	0	0	0	114.4	T155 D156 D160	T155-S158 PolarHBondContact O-OG 3.34Å; D156-S158 PolarHBondContact O-N 3.19Å; S158-D160 VanDerWaalsContact C-N 3.34Å
159	I	46.6	Very low	48.3	Very low	77 Å²	77	96 Å²	96	40%	0.395	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-34.3	179.9	-60.5	174	0	0	0	109.9	D156 K161 R162 M286	D156-I159 PolarHBondContact O-N 3.13Å; I159-K161 VanDerWaalsContact C-N 3.28Å; I159-K161 PolarHBondContact O-N 2.9Å; I159-K161 VanDerWaalsContact O-N 3.12Å; I159-R162 PolarHBondContact O-N 2.95Å; I159-M286 HydrophobicContact CG2-CE 4.41Å
160	D	52	Low	50.5	Low	46 Å²	46	88.9 Å²	88.9	25%	0.246	50%	0.497	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-7.6	-157	-133	22	0	0	0	115.8	S158 R273 K277	S158-D160 VanDerWaalsContact C-N 3.34Å; D160-R273 IonicContact OD1-CZ 3.72Å; D160-R273 IonicContact OD1-NE 2.78Å; D160-R273 PolarHBondContact OD1-NE 2.85Å; D160-R273 IonicContact OD1-NH2 2.79Å; D160-R273 PolarHBondContact OD1-NH2 3.29Å; D160-R273 VanDerWaalsContact OD1-NH2 3.11Å; D160-R273 IonicContact OD2-CZ 3.14Å; D160-R273 IonicContact OD2-NE 2.82Å; D160-R273 IonicContact OD2-NH2 3.82Å; D160-R273 PolarHBondContact OD2-NH2 2.68Å; D160-K277 WeakPolarHBondContact OD1-CE 3.4Å; D160-K277 IonicContact OD1-NZ 2.73Å; D160-K277 PolarHBondContact OD1-NZ 2.93Å; D160-K277 IonicContact OD2-NZ 2.77Å; D160-K277 PolarHBondContact OD2-NZ 2.88Å
161	K	52.4	Low	53	Low	145 Å²	145	80.5 Å²	80.5	63%	0.63	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.2	-6.9	-174.7	-57.8	-179.7	-173.4	81.1	0	114	D157 I159	D157-K161 PolarHBondContact O-NZ 3.18Å; D157-K161 IonicContact OD1-NZ 2.7Å; D157-K161 PolarHBondContact OD1-NZ 3.39Å; D157-K161 IonicContact OD2-NZ 3.9Å; D157-K161 PolarHBondContact OD2-NZ 2.92Å; I159-K161 VanDerWaalsContact C-N 3.28Å; I159-K161 PolarHBondContact O-N 2.9Å; I159-K161 VanDerWaalsContact O-N 3.12Å
162	R	55.5	Low	55.7	Low	211 Å²	211	78.4 Å²	78.4	80%	0.796	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-19.5	-176	-68.2	-174.4	178.6	-174.2	1.1	114.4	I159 I164	I159-R162 PolarHBondContact O-N 2.95Å; R162-I164 PolarHBondContact O-N 2.84Å
163	L	60.7	Low	58.1	Low	10 Å²	10	80.5 Å²	80.5	5%	0.052	42%	0.424	C	S	.	.	S	Bend	trans	-76.9	-25	-160.9	-141.1	78.5	0	0	0	115.1	L290 F297	L163-L290 HydrophobicContact CD1-CD1 3.46Å; L163-L290 VanDerWaalsContact CD1-CD1 3.46Å; L163-L290 HydrophobicContact CD1-CG 3.8Å; L163-F297 HydrophobicContact CD2-CE2 4.41Å; L163-F297 HydrophobicContact CG-CE2 4.18Å; L163-F297 WeakPolarHBondContact O-CD2 3.41Å; L163-F297 VanDerWaalsContact O-CE2 3.27Å; L163-F297 WeakPolarHBondContact O-CE2 3.17Å
164	I	64.2	Low	60.8	Low	31 Å²	31	78.1 Å²	78.1	16%	0.159	40%	0.402	C	S	.	.	S	Bend	trans	-127.1	120.6	-172.7	-48.2	-178.4	0	0	0	111.5	R162 L168 F270	R162-I164 PolarHBondContact O-N 2.84Å; I164-L168 HydrophobicContact CG2-CB 4.3Å; I164-L168 HydrophobicContact CG2-CD1 4.5Å; I164-F270 HydrophobicContact CB-CE2 4.47Å; I164-F270 HydrophobicContact CD1-CD1 3.86Å; I164-F270 HydrophobicContact CD1-CD2 3.65Å; I164-F270 HydrophobicContact CD1-CE1 3.92Å; I164-F270 HydrophobicContact CD1-CE2 3.75Å; I164-F270 HydrophobicContact CD1-CG 3.74Å; I164-F270 HydrophobicContact CD1-CZ 3.87Å; I164-F270 HydrophobicContact CG2-CD2 4.17Å; I164-F270 HydrophobicContact CG2-CE2 3.66Å; I164-F270 HydrophobicContact CG2-CZ 4.27Å
165	P	66	Low	63.2	Low	35 Å²	35	73.2 Å²	73.2	23%	0.227	37%	0.367	C	S	.	.			trans	-65.9	135.1	175.9	-21.8	32.9	0	0	0	113.3	G167 L168 F297 K301	P165-G167 PolarHBondContact O-N 3.29Å; P165-L168 PolarHBondContact O-N 3.01Å; P165-F297 HydrophobicContact CG-CB 4.39Å; P165-K301 HydrophobicContact CB-CD 3.93Å
166	E	66.2	Low	65.5	Low	153 Å²	153	69.8 Å²	69.8	72%	0.715	34%	0.342	S	S	*	.	H	α-helix	trans	-46	-39.6	-178.6	-65.4	-177.6	141.1	0	0	114.1	L168 I169 D170	E166-L168 PolarHBondContact O-N 3.38Å; E166-L168 VanDerWaalsContact O-N 3.15Å; E166-I169 WeakPolarHBondContact O-CA 3.47Å; E166-I169 VanDerWaalsContact O-CB 3.26Å; E166-I169 WeakPolarHBondContact O-CB 3.44Å; E166-I169 WeakPolarHBondContact O-CG1 3.33Å; E166-I169 PolarHBondContact O-N 3.37Å; E166-D170 PolarHBondContact O-N 3.37Å
167	G	70.5	Confident	67.4	Low	16 Å²	16	68.3 Å²	68.3	17%	0.165	33%	0.331	C	S	.	.	H	α-helix	trans	-66.7	-12.3	-178.3	0	0	0	0	0	116.3	P165 K304	P165-G167 PolarHBondContact O-N 3.29Å; G167-K304 PolarHBondContact O-NZ 2.88Å
168	L	76.8	Confident	69.3	Low	1 Å²	1	66.1 Å²	66.1	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-87.4	-19.8	168.2	-66.1	-178.5	0	0	0	112.4	I164 P165 E166 V171 L172 V266 F297 L300	I164-L168 HydrophobicContact CG2-CB 4.3Å; I164-L168 HydrophobicContact CG2-CD1 4.5Å; P165-L168 PolarHBondContact O-N 3.01Å; E166-L168 PolarHBondContact O-N 3.38Å; E166-L168 VanDerWaalsContact O-N 3.15Å; L168-V171 WeakPolarHBondContact O-CB 3.43Å; L168-V171 PolarHBondContact O-N 2.93Å; L168-L172 PolarHBondContact O-N 3.37Å; L168-V266 HydrophobicContact CB-CG1 4.19Å; L168-V266 HydrophobicContact CD2-CG1 4.34Å; L168-V266 HydrophobicContact CD2-CG2 4.28Å; L168-F297 HydrophobicContact CD1-CB 4.37Å; L168-L300 HydrophobicContact CD1-CB 4.48Å; L168-L300 HydrophobicContact CD2-CB 4.33Å
169	I	79.1	Confident	71.1	Confident	59 Å²	59	62.5 Å²	62.5	30%	0.303	29%	0.289	S	S	.	.	H	α-helix	trans	-72.7	-39.9	175.3	-46.2	-175	0	0	0	109.9	E166 V171 L172 R173 F270	E166-I169 WeakPolarHBondContact O-CA 3.47Å; E166-I169 VanDerWaalsContact O-CB 3.26Å; E166-I169 WeakPolarHBondContact O-CB 3.44Å; E166-I169 WeakPolarHBondContact O-CG1 3.33Å; E166-I169 PolarHBondContact O-N 3.37Å; I169-V171 VanDerWaalsContact C-N 3.27Å; I169-V171 PolarHBondContact O-N 2.93Å; I169-L172 PolarHBondContact O-N 3.39Å; I169-R173 PolarHBondContact O-N 2.85Å; I169-F270 HydrophobicContact CD1-CZ 4.37Å; I169-F270 HydrophobicContact CG1-CE2 4.12Å; I169-F270 HydrophobicContact CG1-CZ 3.94Å
170	D	79.2	Confident	72.2	Confident	64 Å²	64	61.3 Å²	61.3	34%	0.342	29%	0.286	S	S	.	.	H	α-helix	trans	-54.4	-45.4	169.7	-61.9	-28.7	0	0	0	111.5	E166 L172 R173 D174 K304	E166-D170 PolarHBondContact O-N 3.37Å; D170-L172 VanDerWaalsContact C-N 3.32Å; D170-L172 PolarHBondContact O-N 3.05Å; D170-R173 WeakPolarHBondContact O-CB 3.4Å; D170-R173 PolarHBondContact O-N 2.92Å; D170-R173 IonicContact OD1-NH1 3.89Å; D170-D174 VanDerWaalsContact O-CG 3.22Å; D170-D174 PolarHBondContact O-N 3.4Å; D170-K304 IonicContact OD2-NZ 2.77Å; D170-K304 PolarHBondContact OD2-NZ 3.43Å
171	V	79.6	Confident	73.1	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.006	30%	0.304	C	S	.	.	H	α-helix	trans	-57.9	-44.4	-179.4	160.1	0	0	0	0	111.5	L168 I169 R173 D174 D175 Y262 V266 K304 L307	L168-V171 WeakPolarHBondContact O-CB 3.43Å; L168-V171 PolarHBondContact O-N 2.93Å; I169-V171 VanDerWaalsContact C-N 3.27Å; I169-V171 PolarHBondContact O-N 2.93Å; V171-R173 VanDerWaalsContact C-N 3.31Å; V171-D174 PolarHBondContact O-N 3.32Å; V171-D175 VanDerWaalsContact O-CB 3.22Å; V171-D175 WeakPolarHBondContact O-CB 3.31Å; V171-D175 PolarHBondContact O-N 3.19Å; V171-Y262 HydrophobicContact CG1-CE1 4.29Å; V171-V266 HydrophobicContact CG1-CB 4.24Å; V171-V266 HydrophobicContact CG1-CG1 4.01Å; V171-V266 HydrophobicContact CG1-CG2 4.21Å; V171-K304 HydrophobicContact CG2-CD 3.71Å; V171-K304 HydrophobicContact CG2-CG 3.74Å; V171-L307 HydrophobicContact CB-CD1 4.3Å; V171-L307 HydrophobicContact CG1-CD1 3.5Å; V171-L307 VanDerWaalsContact CG1-CD1 3.5Å; V171-L307 HydrophobicContact CG1-CD2 4.05Å; V171-L307 HydrophobicContact CG1-CG 4.42Å; V171-L307 HydrophobicContact CG2-CD1 3.92Å
172	L	82.9	Confident	74	Confident	27 Å²	27	63.9 Å²	63.9	14%	0.141	30%	0.299	C	S	.	.	H	α-helix	trans	-70.3	-28.2	177.1	-68.7	-177.6	0	0	0	112.8	L168 I169 D170 H176 V266 R267 F270	L168-L172 PolarHBondContact O-N 3.37Å; I169-L172 PolarHBondContact O-N 3.39Å; D170-L172 VanDerWaalsContact C-N 3.32Å; D170-L172 PolarHBondContact O-N 3.05Å; L172-H176 WeakPolarHBondContact O-CB 3.26Å; L172-H176 PolarHBondContact O-N 2.99Å; L172-V266 HydrophobicContact CD1-CG1 4.4Å; L172-V266 HydrophobicContact CD2-CB 4.31Å; L172-V266 HydrophobicContact CD2-CG1 3.91Å; L172-V266 HydrophobicContact CG-CG1 3.91Å; L172-R267 HydrophobicContact CD2-CB 4.35Å; L172-R267 HydrophobicContact CD2-CG 3.58Å; L172-F270 HydrophobicContact CD1-CB 4.09Å; L172-F270 HydrophobicContact CD1-CD1 4.48Å; L172-F270 HydrophobicContact CD1-CD2 3.22Å; L172-F270 HydrophobicContact CD1-CE2 3.64Å; L172-F270 HydrophobicContact CD1-CG 3.69Å; L172-F270 HydrophobicContact CD1-CZ 4.44Å; L172-F270 HydrophobicContact CG-CD2 4.49Å
173	R	81.4	Confident	74.6	Confident	152 Å²	152	58.4 Å²	58.4	57%	0.574	29%	0.285	S	S	*	.	H	α-helix	trans	-70.6	-42.1	174.2	-167.5	-174.8	-62.3	128.9	5	111.5	I169 D170 V171 H177	I169-R173 PolarHBondContact O-N 2.85Å; D170-R173 WeakPolarHBondContact O-CB 3.4Å; D170-R173 PolarHBondContact O-N 2.92Å; D170-R173 IonicContact OD1-NH1 3.89Å; V171-R173 VanDerWaalsContact C-N 3.31Å; R173-H177 WeakPolarHBondContact O-CB 3.44Å; R173-H177 PolarHBondContact O-N 3.1Å; R173-H177 VanDerWaalsContact O-N 3.1Å
174	D	82.1	Confident	75.3	Confident	67 Å²	67	59.8 Å²	59.8	36%	0.358	29%	0.29	S	S	.	.	H	α-helix	trans	-64.6	-51.3	176.8	-59	-23.7	0	0	0	110.1	D170 V171 H176 H177 W178	D170-D174 VanDerWaalsContact O-CG 3.22Å; D170-D174 PolarHBondContact O-N 3.4Å; V171-D174 PolarHBondContact O-N 3.32Å; D174-H176 PolarHBondContact O-N 3.1Å; D174-H177 WeakPolarHBondContact O-CB 3.46Å; D174-H177 PolarHBondContact O-N 3.31Å; D174-W178 HydrophobicContact CB-CH2 4.37Å; D174-W178 HydrophobicContact CB-CZ2 4.32Å; D174-W178 PolarHBondContact O-N 3.31Å
175	D	81.9	Confident	75.8	Confident	4 Å²	4	62.6 Å²	62.6	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-59.4	-45.6	177.6	175.7	62.8	0	0	0	112.8	V171 H177 W178 V179 A263 R267 L307	V171-D175 VanDerWaalsContact O-CB 3.22Å; V171-D175 WeakPolarHBondContact O-CB 3.31Å; V171-D175 PolarHBondContact O-N 3.19Å; D175-H177 VanDerWaalsContact C-N 3.33Å; D175-H177 PolarHBondContact O-N 2.78Å; D175-W178 PolarHBondContact O-N 2.99Å; D175-V179 WeakPolarHBondContact O-CG2 3.48Å; D175-V179 PolarHBondContact O-N 2.72Å; D175-A263 WeakPolarHBondContact OD1-CB 3.39Å; D175-R267 IonicContact OD1-CZ 3.32Å; D175-R267 IonicContact OD1-NH2 2.76Å; D175-R267 PolarHBondContact OD1-NH2 3.44Å; D175-R267 IonicContact OD2-CZ 2.68Å; D175-R267 VanDerWaalsContact OD2-CZ 3.25Å; D175-R267 IonicContact OD2-NE 2.83Å; D175-R267 PolarHBondContact OD2-NE 2.79Å; D175-R267 IonicContact OD2-NH2 2.67Å; D175-R267 PolarHBondContact OD2-NH2 2.98Å; D175-L307 HydrophobicContact CB-CD2 4.21Å
176	H	80.7	Confident	76.1	Confident	58 Å²	58	61.5 Å²	61.5	27%	0.269	30%	0.297	S	S	.	.	H	α-helix	trans	-61.9	-38.7	174.9	-179.5	61	0	0	0	112.4	L172 D174 T180 Y237	L172-H176 WeakPolarHBondContact O-CB 3.26Å; L172-H176 PolarHBondContact O-N 2.99Å; D174-H176 PolarHBondContact O-N 3.1Å; H176-T180 WeakPolarHBondContact O-CB 3.21Å; H176-T180 WeakPolarHBondContact O-CG2 3.42Å; H176-T180 PolarHBondContact O-N 3.49Å; H176-T180 PolarHBondContact O-OG1 2.87Å; H176-Y237 WeakPolarHBondContact CB-OH 3.24Å; H176-Y237 AromaticContact ND1-CE1 3.45Å; H176-Y237 WeakPolarHBondContact ND1-CE1 3.21Å; H176-Y237 AromaticContact ND1-CZ 3.51Å; H176-Y237 PolarHBondContact ND1-OH 2.81Å
177	H	78.1	Confident	76.6	Confident	88 Å²	88	59 Å²	59	41%	0.407	29%	0.289	S	S	.	.	H	α-helix	trans	-62	-50.6	176.9	-162	122.7	0	0	0	110.7	R173 D174 D175 V179 T180 K181 D182	R173-H177 WeakPolarHBondContact O-CB 3.44Å; R173-H177 PolarHBondContact O-N 3.1Å; R173-H177 VanDerWaalsContact O-N 3.1Å; D174-H177 WeakPolarHBondContact O-CB 3.46Å; D174-H177 PolarHBondContact O-N 3.31Å; D175-H177 VanDerWaalsContact C-N 3.33Å; D175-H177 PolarHBondContact O-N 2.78Å; H177-V179 PolarHBondContact O-N 3.27Å; H177-T180 PolarHBondContact O-N 3.1Å; H177-K181 WeakPolarHBondContact O-CB 3.33Å; H177-K181 PolarHBondContact O-N 3.03Å; H177-D182 IonicContact CD2-OD2 2.73Å; H177-D182 PolarHBondContact CD2-OD2 2.95Å; H177-D182 PolarHBondContact O-N 2.9Å
178	W	79.2	Confident	77	Confident	66 Å²	66	60.2 Å²	60.2	25%	0.25	29%	0.291	C	S	.	.	H	α-helix	trans	-60.7	-48.1	-178.6	-60.9	-28.3	0	0	0	112.1	D174 D175 D182 L183 Y184 L307 V311	D174-W178 HydrophobicContact CB-CH2 4.37Å; D174-W178 HydrophobicContact CB-CZ2 4.32Å; D174-W178 PolarHBondContact O-N 3.31Å; D175-W178 PolarHBondContact O-N 2.99Å; W178-D182 CarbonylContact O-C 3.46Å; W178-D182 WeakPolarHBondContact O-CB 3.48Å; W178-D182 PolarHBondContact O-N 3.39Å; W178-L183 PolarHBondContact O-N 3.05Å; W178-L183 VanDerWaalsContact O-N 3.11Å; W178-Y184 HydrophobicContact CB-CD1 4.27Å; W178-Y184 HydrophobicContact CB-CG 4.39Å; W178-Y184 WeakPolarHBondContact O-CB 3.47Å; W178-Y184 PolarHBondContact O-N 3.01Å; W178-L307 HydrophobicContact CH2-CB 4.41Å; W178-L307 HydrophobicContact CZ3-CB 4.13Å; W178-L307 HydrophobicContact CZ3-CD2 3.84Å; W178-V311 HydrophobicContact CD2-CG2 4.24Å; W178-V311 HydrophobicContact CE3-CG2 3.69Å; W178-V311 HydrophobicContact CH2-CG2 4.14Å; W178-V311 HydrophobicContact CZ3-CG2 3.64Å
179	V	77	Confident	77.1	Confident	2 Å²	2	65 Å²	65	1%	0.012	32%	0.323	C	S	.	.	H	α-helix	trans	-73.1	-32.2	-177	-177.1	0	0	0	0	112.7	D175 H177 Y184 Y237 E240	D175-V179 WeakPolarHBondContact O-CG2 3.48Å; D175-V179 PolarHBondContact O-N 2.72Å; H177-V179 PolarHBondContact O-N 3.27Å; V179-Y184 HydrophobicContact CG2-CD1 4.47Å; V179-Y237 HydrophobicContact CB-CD2 3.93Å; V179-Y237 HydrophobicContact CB-CE2 4.43Å; V179-Y237 HydrophobicContact CG1-CD2 3.74Å; V179-Y237 HydrophobicContact CG1-CG 4.2Å; V179-Y237 HydrophobicContact CG2-CD2 4.3Å; V179-E240 HydrophobicContact CG1-CG 3.94Å
180	T	70.9	Confident	77.2	Confident	52 Å²	52	63.2 Å²	63.2	32%	0.319	32%	0.316	S	S	.	.	H	α-helix	trans	-101.1	-20.4	-173.7	67.4	0	0	0	0	115.8	H176 H177 Y237	H176-T180 WeakPolarHBondContact O-CB 3.21Å; H176-T180 WeakPolarHBondContact O-CG2 3.42Å; H176-T180 PolarHBondContact O-N 3.49Å; H176-T180 PolarHBondContact O-OG1 2.87Å; H177-T180 PolarHBondContact O-N 3.1Å; T180-Y237 HydrophobicContact CG2-CD1 4.42Å
181	K	71.1	Confident	77.3	Confident	147 Å²	147	68.2 Å²	68.2	64%	0.639	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	-47.6	176.9	-63.7	-167.7	170.6	-161.8	0	112.8	H177 L183	H177-K181 WeakPolarHBondContact O-CB 3.33Å; H177-K181 PolarHBondContact O-N 3.03Å; K181-L183 PolarHBondContact O-N 2.86Å
182	D	71.6	Confident	77.6	Confident	98 Å²	98	69.2 Å²	69.2	52%	0.524	34%	0.342	S	S	.	.	S	Bend	trans	-86.2	-0.4	-178.5	-49.5	-46.4	0	0	0	112.1	H177 W178 Y184	H177-D182 IonicContact CD2-OD2 2.73Å; H177-D182 PolarHBondContact CD2-OD2 2.95Å; H177-D182 PolarHBondContact O-N 2.9Å; W178-D182 CarbonylContact O-C 3.46Å; W178-D182 WeakPolarHBondContact O-CB 3.48Å; W178-D182 PolarHBondContact O-N 3.39Å; D182-Y184 PolarHBondContact O-N 3.41Å; D182-Y184 VanDerWaalsContact O-N 3.13Å
183	L	67.7	Low	78	Confident	96 Å²	96	68 Å²	68	50%	0.503	34%	0.336	S	S	.	.			trans	52.6	28.3	-178	-59.9	175.2	0	0	0	113.7	W178 K181 I185 F239	W178-L183 PolarHBondContact O-N 3.05Å; W178-L183 VanDerWaalsContact O-N 3.11Å; K181-L183 PolarHBondContact O-N 2.86Å; L183-I185 PolarHBondContact O-N 2.93Å; L183-F239 HydrophobicContact CD2-CD2 4.09Å; L183-F239 HydrophobicContact CD2-CE2 3.73Å; L183-F239 HydrophobicContact CD2-CZ 4.05Å
184	Y	74.4	Confident	78.5	Confident	39 Å²	39	60.8 Å²	60.8	15%	0.153	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-66.6	120.8	179.2	170.8	-95.6	0	0	0	110.8	W178 V179 D182 P186 S310 V311	W178-Y184 HydrophobicContact CB-CD1 4.27Å; W178-Y184 HydrophobicContact CB-CG 4.39Å; W178-Y184 WeakPolarHBondContact O-CB 3.47Å; W178-Y184 PolarHBondContact O-N 3.01Å; V179-Y184 HydrophobicContact CG2-CD1 4.47Å; D182-Y184 PolarHBondContact O-N 3.41Å; D182-Y184 VanDerWaalsContact O-N 3.13Å; Y184-P186 HydrophobicContact CE1-CB 4.24Å; Y184-P186 HydrophobicContact CE1-CG 4.05Å; Y184-S310 WeakPolarHBondContact OH-CB 3.5Å; Y184-S310 PolarHBondContact OH-O 3.17Å; Y184-S310 PolarHBondContact OH-OG 3.3Å; Y184-V311 HydrophobicContact CD2-CG1 4.35Å; Y184-V311 HydrophobicContact CE1-CG2 4.17Å; Y184-V311 HydrophobicContact CE2-CB 4.28Å; Y184-V311 HydrophobicContact CE2-CG1 4.29Å; Y184-V311 HydrophobicContact CE2-CG2 4.12Å
185	I	75.3	Confident	78.9	Confident	90 Å²	90	57.7 Å²	57.7	46%	0.462	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-96.5	124.4	171.4	-60.3	177.2	0	0	0	108	L183 N187 Q243	L183-I185 PolarHBondContact O-N 2.93Å; I185-N187 PolarHBondContact O-N 3.49Å; I185-Q243 HydrophobicContact CG2-CB 4.49Å; I185-Q243 HydrophobicContact CG2-CG 4.36Å
186	P	72.7	Confident	79.4	Confident	11 Å²	11	61 Å²	61	7%	0.071	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-59.4	135.2	179.1	-25.6	35.3	0	0	0	113.3	Y184 I188 Q243	Y184-P186 HydrophobicContact CE1-CB 4.24Å; Y184-P186 HydrophobicContact CE1-CG 4.05Å; P186-I188 PolarHBondContact O-N 3.25Å; P186-Q243 PolarHBondContact O-NE2 2.74Å
187	N	77.5	Confident	80	Confident	102 Å²	102	58.3 Å²	58.3	55%	0.545	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-64.6	130.6	171.6	-75.3	-54.7	0	0	0	111.4	I185 S310	I185-N187 PolarHBondContact O-N 3.49Å; N187-S310 PolarHBondContact ND2-O 3.25Å
188	I	77.2	Confident	80.6	Confident	40 Å²	40	54.1 Å²	54.1	21%	0.205	28%	0.276	C	S	.	.	S	Bend	trans	-134.5	139.8	-176	-68.4	-173.7	0	0	0	109.3	P186 Q243 I247 I259 Y260	P186-I188 PolarHBondContact O-N 3.25Å; I188-Q243 HydrophobicContact CD1-CG 4.41Å; I188-I247 HydrophobicContact CD1-CD1 3.87Å; I188-I247 HydrophobicContact CG2-CD1 3.82Å; I188-I259 HydrophobicContact CG2-CG2 3.3Å; I188-Y260 HydrophobicContact CD1-CD1 3.59Å; I188-Y260 HydrophobicContact CD1-CE1 3.29Å; I188-Y260 HydrophobicContact CD1-CE2 4.38Å; I188-Y260 HydrophobicContact CD1-CG 4.27Å
189	P	80	Confident	81.2	Confident	103 Å²	103	52.4 Å²	52.4	67%	0.669	27%	0.274	S	S	*	.	S	Bend	cis	-65.8	130.5	-1.1	27.5	-34.9	0	0	0	112.6
190	A	81.5	Confident	81.8	Confident	21 Å²	21	57.7 Å²	57.7	17%	0.174	30%	0.297	C	S	.	.			trans	-81.4	125.9	-172.1	0	0	0	0	0	110.9	P192 S193 I259	A190-P192 CarbonylContact O-C 3.57Å; A190-S193 VanDerWaalsContact O-CA 3.28Å; A190-S193 WeakPolarHBondContact O-CA 3.27Å; A190-S193 PolarHBondContact O-N 3Å; A190-I259 PolarHBondContact N-O 3.03Å
191	F	81.3	Confident	82.8	Confident	168 Å²	168	55.4 Å²	55.4	74%	0.737	28%	0.282	S	S	*	.	S	Bend	trans	-109.6	124.7	179.8	-170	-100.5	0	0	0	112.1
192	P	85.6	Confident	83.6	Confident	23 Å²	23	48.4 Å²	48.4	15%	0.149	25%	0.252	C	S	.	.	S	Bend	cis	-75.1	146.2	-7.8	32.3	-34.8	0	0	0	112.4	A190 Q196 I197 L306	A190-P192 CarbonylContact O-C 3.57Å; P192-Q196 VanDerWaalsContact CA-OE1 3.3Å; P192-Q196 HydrophobicContact CB-CB 4.2Å; P192-I197 HydrophobicContact CB-CG1 4.17Å; P192-I197 HydrophobicContact CG-CD1 4.21Å; P192-I197 HydrophobicContact CG-CG1 3.9Å; P192-L306 HydrophobicContact CG-CD1 3.98Å; P192-L306 HydrophobicContact CG-CD2 4.2Å
193	S	90.8	Very high	84.4	Confident	2 Å²	2	48 Å²	48	1%	0.014	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-72.9	161.4	178.4	69.5	0	0	0	0	112.1	A190 A195 Q196 I197 C257 D258	A190-S193 VanDerWaalsContact O-CA 3.28Å; A190-S193 WeakPolarHBondContact O-CA 3.27Å; A190-S193 PolarHBondContact O-N 3Å; S193-A195 PolarHBondContact O-N 3.27Å; S193-Q196 PolarHBondContact O-N 3.25Å; S193-Q196 WeakPolarHBondContact OG-CG 3.38Å; S193-Q196 PolarHBondContact OG-N 3.17Å; S193-I197 VanDerWaalsContact O-CG1 3.32Å; S193-I197 WeakPolarHBondContact O-CG1 3.33Å; S193-I197 PolarHBondContact O-N 3.24Å; S193-C257 WeakPolarHBondContact CB-O 3.37Å; S193-D258 WeakPolarHBondContact CB-O 3.41Å
194	A	91.5	Very high	85.4	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-56.4	-38.9	178.2	0	0	0	0	0	111.7	I197 L198 F227 C257 Y260 L265	A194-I197 PolarHBondContact O-N 3.11Å; A194-L198 WeakPolarHBondContact O-CB 3.47Å; A194-L198 VanDerWaalsContact O-CG 3.27Å; A194-L198 WeakPolarHBondContact O-CG 3.34Å; A194-L198 PolarHBondContact O-N 3.42Å; A194-F227 HydrophobicContact CB-CE1 4.17Å; A194-F227 HydrophobicContact CB-CE2 4.12Å; A194-F227 HydrophobicContact CB-CZ 3.9Å; A194-C257 HydrophobicContact CB-CB 4.36Å; A194-C257 PolarHBondContact N-O 3.48Å; A194-Y260 VanDerWaalsContact CB-O 3.3Å; A194-Y260 WeakPolarHBondContact CB-O 3.28Å; A194-Y260 PolarHBondContact N-O 2.65Å; A194-L265 HydrophobicContact CB-CB 4.25Å; A194-L265 HydrophobicContact CB-CD1 4.3Å; A194-L265 HydrophobicContact CB-CD2 4.3Å
195	A	92.1	Very high	85.8	Confident	2 Å²	2	47.3 Å²	47.3	2%	0.017	24%	0.241	C	C	.	.	H	α-helix	trans	-61.5	-44.3	173.2	0	0	0	0	0	113.1	S193 L198 S199 K224 C257 D258	S193-A195 PolarHBondContact O-N 3.27Å; A195-L198 PolarHBondContact O-N 3.14Å; A195-S199 WeakPolarHBondContact O-CB 3.35Å; A195-S199 PolarHBondContact O-N 2.85Å; A195-S199 PolarHBondContact O-OG 3.31Å; A195-K224 HydrophobicContact CB-CD 4.31Å; A195-C257 HydrophobicContact CB-CB 4.21Å; A195-C257 VanDerWaalsContact CB-O 3.25Å; A195-C257 WeakPolarHBondContact CB-O 3.32Å; A195-C257 PolarHBondContact N-O 2.97Å; A195-D258 WeakPolarHBondContact CB-OD1 3.42Å
196	Q	92.2	Very high	86.4	Confident	72 Å²	72	44.5 Å²	44.5	34%	0.336	23%	0.227	S	C	.	.	H	α-helix	trans	-68.1	-33.6	175.7	-69.6	171.2	5.2	0	0	112.4	P192 S193 K200	P192-Q196 VanDerWaalsContact CA-OE1 3.3Å; P192-Q196 HydrophobicContact CB-CB 4.2Å; S193-Q196 PolarHBondContact O-N 3.25Å; S193-Q196 WeakPolarHBondContact OG-CG 3.38Å; S193-Q196 PolarHBondContact OG-N 3.17Å; Q196-K200 VanDerWaalsContact O-CB 3.3Å; Q196-K200 WeakPolarHBondContact O-CB 3.28Å; Q196-K200 VanDerWaalsContact O-CG 3.27Å; Q196-K200 WeakPolarHBondContact O-CG 3.36Å; Q196-K200 PolarHBondContact O-N 3.2Å
197	I	91.4	Very high	86.9	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-69.2	-43.8	175.6	-63.8	160.5	0	0	0	110.5	P192 S193 A194 F201 Y262 L265 F299 L300	P192-I197 HydrophobicContact CB-CG1 4.17Å; P192-I197 HydrophobicContact CG-CD1 4.21Å; P192-I197 HydrophobicContact CG-CG1 3.9Å; S193-I197 VanDerWaalsContact O-CG1 3.32Å; S193-I197 WeakPolarHBondContact O-CG1 3.33Å; S193-I197 PolarHBondContact O-N 3.24Å; A194-I197 PolarHBondContact O-N 3.11Å; I197-F201 PolarHBondContact O-N 3.25Å; I197-F201 VanDerWaalsContact O-N 3.15Å; I197-Y262 HydrophobicContact CD1-CD2 4.1Å; I197-Y262 HydrophobicContact CD1-CG 4.49Å; I197-L265 HydrophobicContact CB-CD2 3.8Å; I197-L265 HydrophobicContact CD1-CD2 4.05Å; I197-L265 HydrophobicContact CG2-CD2 3.56Å; I197-F299 HydrophobicContact CG2-CE1 4.15Å; I197-L300 HydrophobicContact CG2-CD2 3.81Å
198	L	91.7	Very high	87.2	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-65.4	-46	177	-75.3	165.9	0	0	0	112	A194 A195 F201 C202 L220 M223 K224 L265 F296	A194-L198 WeakPolarHBondContact O-CB 3.47Å; A194-L198 VanDerWaalsContact O-CG 3.27Å; A194-L198 WeakPolarHBondContact O-CG 3.34Å; A194-L198 PolarHBondContact O-N 3.42Å; A195-L198 PolarHBondContact O-N 3.14Å; L198-F201 WeakPolarHBondContact O-CB 3.22Å; L198-F201 PolarHBondContact O-N 3.3Å; L198-C202 PolarHBondContact O-N 2.7Å; L198-C202 VanDerWaalsContact O-N 3.09Å; L198-C202 PolarHBondContact O-SG 3.39Å; L198-L220 HydrophobicContact CB-CD1 3.61Å; L198-M223 HydrophobicContact CD1-CB 4.02Å; L198-M223 HydrophobicContact CD2-CB 3.82Å; L198-M223 HydrophobicContact CD2-CE 4.36Å; L198-M223 HydrophobicContact CD2-CG 4.31Å; L198-K224 HydrophobicContact CD1-CG 4.08Å; L198-L265 HydrophobicContact CD1-CD1 4.43Å; L198-L265 HydrophobicContact CG-CD1 4.43Å; L198-F296 HydrophobicContact CD2-CE1 4.19Å; L198-F296 HydrophobicContact CD2-CE2 3.66Å; L198-F296 HydrophobicContact CD2-CZ 3.47Å; L198-F296 VanDerWaalsContact CD2-CZ 3.47Å; L198-F296 HydrophobicContact CG-CZ 4.4Å
199	S	91.6	Very high	87.5	Confident	30 Å²	30	50.5 Å²	50.5	21%	0.21	26%	0.261	C	S	.	.	H	α-helix	trans	-57.9	-52.9	173.1	-76.9	0	0	0	0	110.6	A195 F201 C202 D203	A195-S199 WeakPolarHBondContact O-CB 3.35Å; A195-S199 PolarHBondContact O-N 2.85Å; A195-S199 PolarHBondContact O-OG 3.31Å; S199-F201 CarbonylContact O-C 3.2Å; S199-F201 PolarHBondContact O-N 3.24Å; S199-C202 CarbonylContact O-C 3.54Å; S199-C202 PolarHBondContact O-N 3.07Å; S199-D203 WeakPolarHBondContact O-CB 3.5Å; S199-D203 PolarHBondContact O-N 3.13Å
200	K	90.3	Very high	87.4	Confident	114 Å²	114	52.3 Å²	52.3	50%	0.496	27%	0.265	S	S	.	.	H	α-helix	trans	-62.1	-10.8	178.5	-72.6	175.7	178.2	176.1	0	115.2	Q196 F299	Q196-K200 VanDerWaalsContact O-CB 3.3Å; Q196-K200 WeakPolarHBondContact O-CB 3.28Å; Q196-K200 VanDerWaalsContact O-CG 3.27Å; Q196-K200 WeakPolarHBondContact O-CG 3.36Å; Q196-K200 PolarHBondContact O-N 3.2Å; K200-F299 HydrophobicContact CB-CZ 4.42Å; K200-F299 WeakPolarHBondContact O-CE2 3.49Å; K200-F299 VanDerWaalsContact O-CZ 3.29Å; K200-F299 WeakPolarHBondContact O-CZ 3.38Å
201	F	90.7	Very high	87.3	Confident	3 Å²	3	60.5 Å²	60.5	1%	0.013	30%	0.3	C	S	.	.	H	α-helix	trans	-83	-54.9	165.7	168.4	-113.7	0	0	0	110.4	I197 L198 S199 D203 R204 A205 Y216 F219 E295 F296 F299	I197-F201 PolarHBondContact O-N 3.25Å; I197-F201 VanDerWaalsContact O-N 3.15Å; L198-F201 WeakPolarHBondContact O-CB 3.22Å; L198-F201 PolarHBondContact O-N 3.3Å; S199-F201 CarbonylContact O-C 3.2Å; S199-F201 PolarHBondContact O-N 3.24Å; F201-D203 PolarHBondContact O-N 2.91Å; F201-R204 WeakPolarHBondContact O-CB 3.47Å; F201-R204 PolarHBondContact O-N 3.12Å; F201-A205 PolarHBondContact O-N 3.07Å; F201-Y216 HydrophobicContact CE1-CD1 4.44Å; F201-Y216 HydrophobicContact CZ-CE1 4.43Å; F201-F219 HydrophobicContact CD1-CD1 4.32Å; F201-F219 AromaticContact CD1-CE1 3.9Å; F201-F219 HydrophobicContact CD1-CE1 3.9Å; F201-F219 HydrophobicContact CE1-CD1 4.01Å; F201-F219 AromaticContact CE1-CE1 3.62Å; F201-F219 HydrophobicContact CE1-CE1 3.62Å; F201-F219 HydrophobicContact CE1-CZ 4.42Å; F201-E295 HydrophobicContact CE2-CB 4.45Å; F201-E295 HydrophobicContact CE2-CG 3.99Å; F201-E295 WeakPolarHBondContact CE2-OE1 3.48Å; F201-E295 HydrophobicContact CZ-CB 4.24Å; F201-E295 HydrophobicContact CZ-CG 4.14Å; F201-F296 HydrophobicContact CB-CD2 4.14Å; F201-F296 HydrophobicContact CB-CE2 4.4Å; F201-F296 HydrophobicContact CD1-CB 4.28Å; F201-F296 AromaticContact CD1-CD2 3.66Å; F201-F296 HydrophobicContact CD1-CD2 3.66Å; F201-F296 HydrophobicContact CD1-CE2 4.48Å; F201-F296 HydrophobicContact CD1-CG 4.34Å; F201-F296 HydrophobicContact CD2-CD2 4.27Å; F201-F296 HydrophobicContact CE1-CB 3.87Å; F201-F296 HydrophobicContact CE1-CD2 4.13Å; F201-F296 HydrophobicContact CE1-CG 4.39Å; F201-F296 HydrophobicContact CE2-CB 4.36Å; F201-F296 AromaticContact CG-CD2 3.74Å; F201-F296 HydrophobicContact CG-CD2 3.74Å; F201-F296 HydrophobicContact CG-CE2 4.47Å; F201-F296 HydrophobicContact CZ-CB 3.92Å; F201-F299 HydrophobicContact CB-CD1 3.9Å; F201-F299 HydrophobicContact CB-CD2 4.44Å; F201-F299 HydrophobicContact CB-CE1 3.66Å; F201-F299 HydrophobicContact CB-CE2 4.22Å; F201-F299 HydrophobicContact CB-CG 4.26Å; F201-F299 HydrophobicContact CB-CZ 3.8Å; F201-F299 HydrophobicContact CD2-CB 3.8Å; F201-F299 HydrophobicContact CD2-CD1 4.15Å; F201-F299 AromaticContact CD2-CD2 3.94Å; F201-F299 HydrophobicContact CD2-CD2 3.94Å; F201-F299 HydrophobicContact CD2-CE2 4.44Å; F201-F299 AromaticContact CD2-CG 3.74Å; F201-F299 HydrophobicContact CD2-CG 3.74Å; F201-F299 HydrophobicContact CE2-CB 4.25Å; F201-F299 HydrophobicContact CG-CD1 4.36Å; F201-F299 HydrophobicContact CG-CG 4.39Å
202	C	89.2	Confident	87.2	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.2	-42.2	-178.3	-61.4	0	0	0	0	112.9	L198 S199 R204 A205 I206 L220	L198-C202 PolarHBondContact O-N 2.7Å; L198-C202 VanDerWaalsContact O-N 3.09Å; L198-C202 PolarHBondContact O-SG 3.39Å; S199-C202 CarbonylContact O-C 3.54Å; S199-C202 PolarHBondContact O-N 3.07Å; C202-R204 VanDerWaalsContact C-N 3.26Å; C202-R204 PolarHBondContact O-N 2.8Å; C202-A205 PolarHBondContact O-N 3.48Å; C202-I206 HydrophobicContact CB-CD1 4.45Å; C202-I206 VanDerWaalsContact O-CB 3.31Å; C202-I206 WeakPolarHBondContact O-CB 3.45Å; C202-I206 WeakPolarHBondContact O-CD1 3.46Å; C202-I206 WeakPolarHBondContact O-CG1 3.31Å; C202-I206 PolarHBondContact O-N 3.09Å; C202-L220 HydrophobicContact CB-CB 4.46Å; C202-L220 HydrophobicContact CB-CD2 4.4Å
203	D	88.5	Confident	87.1	Confident	90 Å²	90	52.9 Å²	52.9	48%	0.481	27%	0.27	S	S	.	.	H	α-helix	trans	-59.3	-39.6	177.9	-53.7	-31.3	0	0	0	110.9	S199 F201 S207	S199-D203 WeakPolarHBondContact O-CB 3.5Å; S199-D203 PolarHBondContact O-N 3.13Å; F201-D203 PolarHBondContact O-N 2.91Å; D203-S207 PolarHBondContact O-N 3.35Å; D203-S207 VanDerWaalsContact O-N 3.17Å; D203-S207 PolarHBondContact O-OG 2.85Å
204	R	87.8	Confident	86.7	Confident	118 Å²	118	55 Å²	55	45%	0.445	29%	0.292	S	S	.	.	H	α-helix	trans	-66.7	-50.6	173.7	176.2	-175.8	168.3	139.4	11.1	111.1	F201 C202 I206 S207 E208	F201-R204 WeakPolarHBondContact O-CB 3.47Å; F201-R204 PolarHBondContact O-N 3.12Å; C202-R204 VanDerWaalsContact C-N 3.26Å; C202-R204 PolarHBondContact O-N 2.8Å; R204-I206 VanDerWaalsContact C-N 3.29Å; R204-I206 PolarHBondContact O-N 2.91Å; R204-S207 CarbonylContact O-C 3.51Å; R204-S207 WeakPolarHBondContact O-CA 3.5Å; R204-S207 PolarHBondContact O-N 3.46Å; R204-S207 PolarHBondContact O-OG 3.02Å; R204-E208 IonicContact CZ-OE1 2.67Å; R204-E208 IonicContact NE-OE1 3.32Å; R204-E208 PolarHBondContact NE-OE1 3.17Å; R204-E208 IonicContact NE-OE2 3.69Å; R204-E208 IonicContact NH2-OE1 2.94Å; R204-E208 PolarHBondContact NH2-OE1 3.32Å; R204-E208 IonicContact NH2-OE2 3.73Å; R204-E208 PolarHBondContact O-N 3.4Å
205	A	83.8	Confident	86.5	Confident	3 Å²	3	59.4 Å²	59.4	3%	0.025	31%	0.311	C	S	.	.	H	α-helix	trans	-63.4	-35.8	-177.6	0	0	0	0	0	112.1	F201 C202 S207 E208 D209 Y216	F201-A205 PolarHBondContact O-N 3.07Å; C202-A205 PolarHBondContact O-N 3.48Å; A205-S207 VanDerWaalsContact C-N 3.3Å; A205-S207 PolarHBondContact O-N 3.48Å; A205-E208 PolarHBondContact O-N 3.01Å; A205-D209 PolarHBondContact O-N 3.36Å; A205-Y216 HydrophobicContact CB-CD1 3.71Å; A205-Y216 HydrophobicContact CB-CD2 3.83Å; A205-Y216 HydrophobicContact CB-CE1 3.58Å; A205-Y216 HydrophobicContact CB-CE2 3.7Å; A205-Y216 HydrophobicContact CB-CG 3.86Å
206	I	86.8	Confident	86.3	Confident	31 Å²	31	60.4 Å²	60.4	16%	0.159	32%	0.315	C	S	.	.	H	α-helix	trans	-64.9	-31	171.7	-68.6	162.5	0	0	0	112	C202 R204 D209 A213 Y216 R217	C202-I206 HydrophobicContact CB-CD1 4.45Å; C202-I206 VanDerWaalsContact O-CB 3.31Å; C202-I206 WeakPolarHBondContact O-CB 3.45Å; C202-I206 WeakPolarHBondContact O-CD1 3.46Å; C202-I206 WeakPolarHBondContact O-CG1 3.31Å; C202-I206 PolarHBondContact O-N 3.09Å; R204-I206 VanDerWaalsContact C-N 3.29Å; R204-I206 PolarHBondContact O-N 2.91Å; I206-D209 CarbonylContact O-C 3.44Å; I206-A213 HydrophobicContact CG1-CB 4.07Å; I206-A213 HydrophobicContact CG2-CB 3.95Å; I206-Y216 HydrophobicContact CG1-CD2 4.33Å; I206-R217 HydrophobicContact CD1-CG 4.22Å
207	S	84.3	Confident	86.1	Confident	91 Å²	91	64.8 Å²	64.8	64%	0.636	33%	0.328	S	S	*	.	H	α-helix	trans	-81.7	-17.9	174.6	70.9	0	0	0	0	114.2	D203 R204 A205	D203-S207 PolarHBondContact O-N 3.35Å; D203-S207 VanDerWaalsContact O-N 3.17Å; D203-S207 PolarHBondContact O-OG 2.85Å; R204-S207 CarbonylContact O-C 3.51Å; R204-S207 WeakPolarHBondContact O-CA 3.5Å; R204-S207 PolarHBondContact O-N 3.46Å; R204-S207 PolarHBondContact O-OG 3.02Å; A205-S207 VanDerWaalsContact C-N 3.3Å; A205-S207 PolarHBondContact O-N 3.48Å
208	E	83.8	Confident	85.9	Confident	118 Å²	118	68.6 Å²	68.6	55%	0.551	35%	0.351	S	S	*	.	H	α-helix	trans	-92.4	-29.3	174.2	-71	177.5	-170.3	0	0	111.8	R204 A205	R204-E208 IonicContact CZ-OE1 2.67Å; R204-E208 IonicContact NE-OE1 3.32Å; R204-E208 PolarHBondContact NE-OE1 3.17Å; R204-E208 IonicContact NE-OE2 3.69Å; R204-E208 IonicContact NH2-OE1 2.94Å; R204-E208 PolarHBondContact NH2-OE1 3.32Å; R204-E208 IonicContact NH2-OE2 3.73Å; R204-E208 PolarHBondContact O-N 3.4Å; A205-E208 PolarHBondContact O-N 3.01Å
209	D	81.5	Confident	85.8	Confident	69 Å²	69	69.4 Å²	69.4	37%	0.369	36%	0.355	S	S	.	.			trans	-142.7	105.2	174.5	-178.3	-12.4	0	0	0	110.8	A205 I206 E211 A212	A205-D209 PolarHBondContact O-N 3.36Å; I206-D209 CarbonylContact O-C 3.44Å; D209-E211 PolarHBondContact OD1-N 2.91Å; D209-A212 HydrophobicContact CB-CB 4.14Å; D209-A212 PolarHBondContact OD1-N 3.39Å; D209-A212 WeakPolarHBondContact OD2-CB 3.42Å
210	L	79.4	Confident	85.7	Confident	142 Å²	142	69.5 Å²	69.5	74%	0.743	35%	0.353	S	S	*	.	S	Bend	trans	-75.1	-26.9	179.5	-92.9	156.7	0	0	0	113.4	A213	L210-A213 WeakPolarHBondContact O-CB 3.38Å; L210-A213 PolarHBondContact O-N 3.16Å
211	E	79.2	Confident	85.7	Confident	193 Å²	193	72.8 Å²	72.8	90%	0.902	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-39.5	179.8	-63.3	-169.6	170.2	0	0	110.5	D209 A213	D209-E211 PolarHBondContact OD1-N 2.91Å; E211-A213 PolarHBondContact O-N 3.09Å; E211-A213 VanDerWaalsContact O-N 3.11Å
212	A	79	Confident	85.5	Confident	17 Å²	17	75.7 Å²	75.7	14%	0.14	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	2.8	172.8	0	0	0	0	0	114.2	D209 G214 K215 Y216	D209-A212 HydrophobicContact CB-CB 4.14Å; D209-A212 PolarHBondContact OD1-N 3.39Å; D209-A212 WeakPolarHBondContact OD2-CB 3.42Å; A212-G214 PolarHBondContact O-N 3.39Å; A212-G214 VanDerWaalsContact O-N 3.1Å; A212-K215 WeakPolarHBondContact O-CA 3.47Å; A212-K215 WeakPolarHBondContact O-CB 3.41Å; A212-K215 PolarHBondContact O-N 2.9Å; A212-Y216 HydrophobicContact CB-CD2 4.11Å; A212-Y216 HydrophobicContact CB-CE2 3.62Å; A212-Y216 WeakPolarHBondContact O-CD2 3.22Å; A212-Y216 PolarHBondContact O-N 3.38Å
213	A	82.8	Confident	85.6	Confident	14 Å²	14	75.9 Å²	75.9	12%	0.116	38%	0.383	C	S	.	.	H	α-helix	trans	-57.9	-31.5	-174.6	0	0	0	0	0	114.2	I206 L210 E211 R217	I206-A213 HydrophobicContact CG1-CB 4.07Å; I206-A213 HydrophobicContact CG2-CB 3.95Å; L210-A213 WeakPolarHBondContact O-CB 3.38Å; L210-A213 PolarHBondContact O-N 3.16Å; E211-A213 PolarHBondContact O-N 3.09Å; E211-A213 VanDerWaalsContact O-N 3.11Å; A213-R217 WeakPolarHBondContact O-CB 3.48Å; A213-R217 VanDerWaalsContact O-CG 3.26Å; A213-R217 WeakPolarHBondContact O-CG 3.48Å; A213-R217 PolarHBondContact O-N 3.21Å; A213-R217 VanDerWaalsContact O-N 3.13Å
214	G	83.9	Confident	85.8	Confident	47 Å²	47	74.2 Å²	74.2	49%	0.485	37%	0.371	S	S	.	.	H	α-helix	trans	-62.6	-41.8	172.1	0	0	0	0	0	113	A212 R217 V218	A212-G214 PolarHBondContact O-N 3.39Å; A212-G214 VanDerWaalsContact O-N 3.1Å; G214-R217 PolarHBondContact O-N 3.28Å; G214-V218 WeakPolarHBondContact O-CG2 3.38Å; G214-V218 PolarHBondContact O-N 3.45Å
215	K	85.9	Confident	85.9	Confident	92 Å²	92	71.4 Å²	71.4	40%	0.4	37%	0.37	S	S	.	.	H	α-helix	trans	-61.6	-48.3	-180	-168.2	-175.7	-176.2	-173.2	0	111.2	A212 V218 F219 L292	A212-K215 WeakPolarHBondContact O-CA 3.47Å; A212-K215 WeakPolarHBondContact O-CB 3.41Å; A212-K215 PolarHBondContact O-N 2.9Å; K215-V218 PolarHBondContact O-N 2.97Å; K215-F219 WeakPolarHBondContact O-CB 3.15Å; K215-F219 PolarHBondContact O-N 3.15Å; K215-L292 HydrophobicContact CD-CD1 4.4Å; K215-L292 HydrophobicContact CD-CD2 4.01Å; K215-L292 HydrophobicContact CG-CD1 4.01Å; K215-L292 HydrophobicContact CG-CD2 4.17Å
216	Y	88.1	Confident	86.1	Confident	22 Å²	22	74.3 Å²	74.3	9%	0.086	38%	0.384	C	S	.	.	H	α-helix	trans	-69.1	-34.7	178.4	-62.8	-66.7	0	0	0	113	F201 A205 I206 A212 F219 L220 L292 E295	F201-Y216 HydrophobicContact CE1-CD1 4.44Å; F201-Y216 HydrophobicContact CZ-CE1 4.43Å; A205-Y216 HydrophobicContact CB-CD1 3.71Å; A205-Y216 HydrophobicContact CB-CD2 3.83Å; A205-Y216 HydrophobicContact CB-CE1 3.58Å; A205-Y216 HydrophobicContact CB-CE2 3.7Å; A205-Y216 HydrophobicContact CB-CG 3.86Å; I206-Y216 HydrophobicContact CG1-CD2 4.33Å; A212-Y216 HydrophobicContact CB-CD2 4.11Å; A212-Y216 HydrophobicContact CB-CE2 3.62Å; A212-Y216 WeakPolarHBondContact O-CD2 3.22Å; A212-Y216 PolarHBondContact O-N 3.38Å; Y216-F219 PolarHBondContact O-N 3.35Å; Y216-L220 WeakPolarHBondContact O-CB 3.2Å; Y216-L220 PolarHBondContact O-N 3.38Å; Y216-L292 HydrophobicContact CD1-CD2 3.88Å; Y216-L292 HydrophobicContact CE1-CD2 3.38Å; Y216-E295 PolarHBondContact OH-OE2 3.15Å
217	R	87.8	Confident	86.4	Confident	165 Å²	165	72.8 Å²	72.8	62%	0.623	38%	0.377	S	S	*	.	H	α-helix	trans	-64.5	-38.7	173.9	-75.3	173.4	177.7	-171.2	0.6	112.8	I206 A213 G214 R221	I206-R217 HydrophobicContact CD1-CG 4.22Å; A213-R217 WeakPolarHBondContact O-CB 3.48Å; A213-R217 VanDerWaalsContact O-CG 3.26Å; A213-R217 WeakPolarHBondContact O-CG 3.48Å; A213-R217 PolarHBondContact O-N 3.21Å; A213-R217 VanDerWaalsContact O-N 3.13Å; G214-R217 PolarHBondContact O-N 3.28Å; R217-R221 PolarHBondContact O-N 3.4Å
218	V	87.9	Confident	86.7	Confident	81 Å²	81	70.5 Å²	70.5	49%	0.491	36%	0.357	S	S	.	.	H	α-helix	trans	-67.6	-46.4	173	173.1	0	0	0	0	110.7	G214 K215 L220 R221 C222	G214-V218 WeakPolarHBondContact O-CG2 3.38Å; G214-V218 PolarHBondContact O-N 3.45Å; K215-V218 PolarHBondContact O-N 2.97Å; V218-L220 PolarHBondContact O-N 3.03Å; V218-R221 PolarHBondContact O-N 2.99Å; V218-C222 PolarHBondContact O-N 2.63Å; V218-C222 PolarHBondContact O-SG 3.3Å; V218-C222 VanDerWaalsContact O-SG 3.39Å
219	F	89.5	Confident	86.9	Confident	17 Å²	17	71.5 Å²	71.5	8%	0.075	36%	0.36	C	S	.	.	H	α-helix	trans	-54.4	-47.9	176.4	-178.8	-100	0	0	0	112.4	F201 K215 Y216 R221 C222 M223 L292 L293 F296	F201-F219 HydrophobicContact CD1-CD1 4.32Å; F201-F219 AromaticContact CD1-CE1 3.9Å; F201-F219 HydrophobicContact CD1-CE1 3.9Å; F201-F219 HydrophobicContact CE1-CD1 4.01Å; F201-F219 AromaticContact CE1-CE1 3.62Å; F201-F219 HydrophobicContact CE1-CE1 3.62Å; F201-F219 HydrophobicContact CE1-CZ 4.42Å; K215-F219 WeakPolarHBondContact O-CB 3.15Å; K215-F219 PolarHBondContact O-N 3.15Å; Y216-F219 PolarHBondContact O-N 3.35Å; F219-R221 VanDerWaalsContact C-N 3.35Å; F219-R221 PolarHBondContact O-N 3.48Å; F219-C222 PolarHBondContact O-N 2.85Å; F219-M223 HydrophobicContact CD1-CG 4.11Å; F219-M223 HydrophobicContact CD2-CG 4.14Å; F219-M223 HydrophobicContact CE1-CG 3.81Å; F219-M223 HydrophobicContact CE2-CG 3.85Å; F219-M223 HydrophobicContact CE2-SD 4.1Å; F219-M223 HydrophobicContact CG-CG 4.27Å; F219-M223 HydrophobicContact CZ-CE 3.95Å; F219-M223 HydrophobicContact CZ-CG 3.68Å; F219-M223 HydrophobicContact CZ-SD 4.07Å; F219-M223 WeakPolarHBondContact O-CB 3.44Å; F219-M223 VanDerWaalsContact O-CG 3.28Å; F219-M223 WeakPolarHBondContact O-CG 3.44Å; F219-M223 PolarHBondContact O-N 3.44Å; F219-L292 HydrophobicContact CB-CD1 4.38Å; F219-L292 HydrophobicContact CD2-CB 4.03Å; F219-L292 HydrophobicContact CD2-CD1 3.97Å; F219-L292 HydrophobicContact CE2-CB 3.98Å; F219-L292 HydrophobicContact CG-CD1 4.44Å; F219-L293 HydrophobicContact CE2-CD2 3.76Å; F219-L293 HydrophobicContact CE2-CG 4.46Å; F219-L293 HydrophobicContact CZ-CD2 4.07Å; F219-F296 HydrophobicContact CE1-CB 4.3Å; F219-F296 HydrophobicContact CE1-CG 4.25Å; F219-F296 HydrophobicContact CZ-CB 4.02Å; F219-F296 HydrophobicContact CZ-CD1 4.26Å; F219-F296 HydrophobicContact CZ-CG 4.13Å
220	L	89.6	Confident	87.3	Confident	32 Å²	32	68.6 Å²	68.6	17%	0.168	35%	0.345	C	S	.	.	H	α-helix	trans	-55.6	-46.7	177.2	-177.5	56.4	0	0	0	112.3	L198 C202 Y216 V218 K224	L198-L220 HydrophobicContact CB-CD1 3.61Å; C202-L220 HydrophobicContact CB-CB 4.46Å; C202-L220 HydrophobicContact CB-CD2 4.4Å; Y216-L220 WeakPolarHBondContact O-CB 3.2Å; Y216-L220 PolarHBondContact O-N 3.38Å; V218-L220 PolarHBondContact O-N 3.03Å; L220-K224 HydrophobicContact CD1-CG 4.46Å; L220-K224 WeakPolarHBondContact O-CG 3.24Å; L220-K224 PolarHBondContact O-N 2.87Å; L220-K224 VanDerWaalsContact O-N 3.09Å
221	R	89.5	Confident	87.9	Confident	183 Å²	183	61.9 Å²	61.9	69%	0.691	31%	0.31	S	S	*	.	H	α-helix	trans	-64.7	-45.7	179.8	-171.6	-175	-66.1	151.7	-2.2	111.5	R217 V218 F219 S225	R217-R221 PolarHBondContact O-N 3.4Å; V218-R221 PolarHBondContact O-N 2.99Å; F219-R221 VanDerWaalsContact C-N 3.35Å; F219-R221 PolarHBondContact O-N 3.48Å; R221-S225 WeakPolarHBondContact O-CB 3.25Å; R221-S225 PolarHBondContact O-N 3.39Å; R221-S225 VanDerWaalsContact O-N 3.11Å
222	C	87.6	Confident	88.1	Confident	64 Å²	64	54.5 Å²	54.5	43%	0.432	28%	0.279	S	S	.	.	H	α-helix	trans	-64.5	-45.7	178.7	-67.7	0	0	0	0	111.9	V218 F219 S225 L226	V218-C222 PolarHBondContact O-N 2.63Å; V218-C222 PolarHBondContact O-SG 3.3Å; V218-C222 VanDerWaalsContact O-SG 3.39Å; F219-C222 PolarHBondContact O-N 2.85Å; C222-S225 PolarHBondContact O-N 3.32Å; C222-L226 WeakPolarHBondContact O-CB 3.11Å; C222-L226 WeakPolarHBondContact O-CG 3.43Å; C222-L226 PolarHBondContact O-N 2.9Å
223	M	90.2	Very high	88.3	Confident	5 Å²	5	58.4 Å²	58.4	3%	0.025	30%	0.297	C	S	.	.	H	α-helix	trans	-64.9	-42.9	-179.5	-69.2	-67.8	-84.2	0	0	112.4	L198 F219 F227 F268 L272 L293 F296	L198-M223 HydrophobicContact CD1-CB 4.02Å; L198-M223 HydrophobicContact CD2-CB 3.82Å; L198-M223 HydrophobicContact CD2-CE 4.36Å; L198-M223 HydrophobicContact CD2-CG 4.31Å; F219-M223 HydrophobicContact CD1-CG 4.11Å; F219-M223 HydrophobicContact CD2-CG 4.14Å; F219-M223 HydrophobicContact CE1-CG 3.81Å; F219-M223 HydrophobicContact CE2-CG 3.85Å; F219-M223 HydrophobicContact CE2-SD 4.1Å; F219-M223 HydrophobicContact CG-CG 4.27Å; F219-M223 HydrophobicContact CZ-CE 3.95Å; F219-M223 HydrophobicContact CZ-CG 3.68Å; F219-M223 HydrophobicContact CZ-SD 4.07Å; F219-M223 WeakPolarHBondContact O-CB 3.44Å; F219-M223 VanDerWaalsContact O-CG 3.28Å; F219-M223 WeakPolarHBondContact O-CG 3.44Å; F219-M223 PolarHBondContact O-N 3.44Å; M223-F227 VanDerWaalsContact O-CB 3.25Å; M223-F227 WeakPolarHBondContact O-CB 3.28Å; M223-F227 PolarHBondContact O-N 3.47Å; M223-F268 HydrophobicContact CE-CD1 4.4Å; M223-F268 HydrophobicContact CE-CE1 3.75Å; M223-F268 HydrophobicContact SD-CE1 3.94Å; M223-F268 HydrophobicContact SD-CZ 4.42Å; M223-L272 HydrophobicContact CE-CD2 4.34Å; M223-L272 HydrophobicContact SD-CD2 4.25Å; M223-L293 HydrophobicContact CE-CD2 4.35Å; M223-L293 HydrophobicContact SD-CD2 4.44Å; M223-F296 HydrophobicContact CE-CD1 3.84Å; M223-F296 HydrophobicContact CE-CE1 3.57Å; M223-F296 HydrophobicContact CE-CZ 4.4Å
224	K	92.6	Very high	88.4	Confident	55 Å²	55	59.5 Å²	59.5	24%	0.239	30%	0.299	C	S	.	.	H	α-helix	trans	-61.4	-44.3	173.6	-73.3	-167.2	-178	-161.8	0	112.1	A195 L198 L220 N228	A195-K224 HydrophobicContact CB-CD 4.31Å; L198-K224 HydrophobicContact CD1-CG 4.08Å; L220-K224 HydrophobicContact CD1-CG 4.46Å; L220-K224 WeakPolarHBondContact O-CG 3.24Å; L220-K224 PolarHBondContact O-N 2.87Å; L220-K224 VanDerWaalsContact O-N 3.09Å; K224-N228 VanDerWaalsContact O-CG 3.24Å; K224-N228 PolarHBondContact O-N 3.45Å; K224-N228 VanDerWaalsContact O-N 3.1Å; K224-N228 PolarHBondContact O-ND2 3.48Å
225	S	90.6	Very high	88.6	Confident	58 Å²	58	57.4 Å²	57.4	41%	0.406	28%	0.277	S	S	.	.	H	α-helix	trans	-64.4	-46.1	179.8	-175.3	0	0	0	0	112.6	R221 C222 K229	R221-S225 WeakPolarHBondContact O-CB 3.25Å; R221-S225 PolarHBondContact O-N 3.39Å; R221-S225 VanDerWaalsContact O-N 3.11Å; C222-S225 PolarHBondContact O-N 3.32Å; S225-K229 WeakPolarHBondContact O-CG 3.11Å; S225-K229 PolarHBondContact O-N 3.25Å
226	L	88.9	Confident	88.7	Confident	64 Å²	64	53.5 Å²	53.5	34%	0.335	26%	0.261	S	S	.	.	H	α-helix	trans	-66.6	-41.4	177.3	-73	172.3	0	0	0	112.1	C222 N228 K229 C230 F268 L272	C222-L226 WeakPolarHBondContact O-CB 3.11Å; C222-L226 WeakPolarHBondContact O-CG 3.43Å; C222-L226 PolarHBondContact O-N 2.9Å; L226-N228 PolarHBondContact O-N 3.17Å; L226-K229 PolarHBondContact O-N 2.93Å; L226-C230 WeakPolarHBondContact O-CB 3.42Å; L226-C230 PolarHBondContact O-N 2.97Å; L226-C230 PolarHBondContact O-SG 3.49Å; L226-F268 HydrophobicContact CB-CE2 3.95Å; L226-F268 HydrophobicContact CB-CZ 3.58Å; L226-L272 HydrophobicContact CD1-CD1 4.27Å
227	F	92.6	Very high	88.5	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-58.1	-49.1	176.2	-177	-86.7	0	0	0	111.5	A194 M223 K229 C230 L231 L235 C257 H264 L265 F268	A194-F227 HydrophobicContact CB-CE1 4.17Å; A194-F227 HydrophobicContact CB-CE2 4.12Å; A194-F227 HydrophobicContact CB-CZ 3.9Å; M223-F227 VanDerWaalsContact O-CB 3.25Å; M223-F227 WeakPolarHBondContact O-CB 3.28Å; M223-F227 PolarHBondContact O-N 3.47Å; F227-K229 VanDerWaalsContact C-N 3.27Å; F227-K229 PolarHBondContact O-N 3.25Å; F227-C230 PolarHBondContact O-N 3.02Å; F227-C230 VanDerWaalsContact O-N 3.14Å; F227-L231 HydrophobicContact CE1-CD1 3.58Å; F227-L231 HydrophobicContact CZ-CD1 3.6Å; F227-L231 PolarHBondContact O-N 3.4Å; F227-L235 HydrophobicContact CD2-CD1 4.27Å; F227-L235 HydrophobicContact CE2-CD1 4.12Å; F227-C257 HydrophobicContact CD1-CB 3.58Å; F227-C257 HydrophobicContact CE1-CB 4.07Å; F227-C257 HydrophobicContact CG-CB 4.31Å; F227-H264 HydrophobicContact CE2-CB 4.18Å; F227-H264 HydrophobicContact CZ-CB 3.9Å; F227-L265 HydrophobicContact CD2-CD1 4.23Å; F227-L265 HydrophobicContact CE2-CB 4.44Å; F227-L265 HydrophobicContact CE2-CD1 4.41Å; F227-F268 HydrophobicContact CB-CD1 4.37Å; F227-F268 HydrophobicContact CB-CE1 4.28Å; F227-F268 HydrophobicContact CB-CZ 4.37Å; F227-F268 HydrophobicContact CD2-CB 3.77Å; F227-F268 AromaticContact CD2-CD1 3.9Å; F227-F268 HydrophobicContact CD2-CD1 3.9Å; F227-F268 HydrophobicContact CD2-CD2 4.37Å; F227-F268 AromaticContact CD2-CG 3.75Å; F227-F268 HydrophobicContact CD2-CG 3.75Å; F227-F268 HydrophobicContact CE2-CB 4.09Å
228	N	91.6	Very high	87.9	Confident	43 Å²	43	51 Å²	51	23%	0.23	25%	0.251	C	S	.	.	H	α-helix	trans	-59.9	-35.7	178.9	-70.5	-10	0	0	0	112.6	K224 L226 P232 Y256 C257	K224-N228 VanDerWaalsContact O-CG 3.24Å; K224-N228 PolarHBondContact O-N 3.45Å; K224-N228 VanDerWaalsContact O-N 3.1Å; K224-N228 PolarHBondContact O-ND2 3.48Å; L226-N228 PolarHBondContact O-N 3.17Å; N228-P232 WeakPolarHBondContact O-CD 3.48Å; N228-Y256 HydrophobicContact CB-CD2 4.5Å; N228-Y256 WeakPolarHBondContact O-CD2 3.22Å; N228-C257 WeakPolarHBondContact OD1-CB 3.37Å; N228-C257 PolarHBondContact OD1-N 2.92Å; N228-C257 PolarHBondContact OD1-SG 3.14Å
229	K	88	Confident	87.3	Confident	138 Å²	138	51.3 Å²	51.3	60%	0.6	25%	0.246	S	C	*	.	H	α-helix	trans	-74.1	-37.8	175.1	-69.9	-179.9	179.7	-173	0	112.7	S225 L226 F227 L233	S225-K229 WeakPolarHBondContact O-CG 3.11Å; S225-K229 PolarHBondContact O-N 3.25Å; L226-K229 PolarHBondContact O-N 2.93Å; F227-K229 VanDerWaalsContact C-N 3.27Å; F227-K229 PolarHBondContact O-N 3.25Å; K229-L233 VanDerWaalsContact O-CD1 3.31Å; K229-L233 WeakPolarHBondContact O-CD1 3.16Å; K229-L233 WeakPolarHBondContact O-CG 3.31Å
230	C	89.4	Confident	87	Confident	9 Å²	9	50.5 Å²	50.5	6%	0.061	24%	0.243	C	C	.	.	H	α-helix	trans	-79.8	-30.6	-173.8	-65.4	0	0	0	0	113.6	L226 F227 L233 Q234 L235 F268 I275	L226-C230 WeakPolarHBondContact O-CB 3.42Å; L226-C230 PolarHBondContact O-N 2.97Å; L226-C230 PolarHBondContact O-SG 3.49Å; F227-C230 PolarHBondContact O-N 3.02Å; F227-C230 VanDerWaalsContact O-N 3.14Å; C230-L233 PolarHBondContact O-N 3.45Å; C230-Q234 HydrophobicContact CB-CG 4.23Å; C230-Q234 VanDerWaalsContact O-CG 3.3Å; C230-Q234 WeakPolarHBondContact O-CG 3.41Å; C230-Q234 PolarHBondContact O-N 3.47Å; C230-L235 HydrophobicContact CB-CD1 4.18Å; C230-L235 HydrophobicContact CB-CG 4.26Å; C230-F268 HydrophobicContact CB-CD2 4.04Å; C230-F268 HydrophobicContact CB-CE2 4.17Å; C230-I275 WeakPolarHBondContact SG-CD1 3.36Å
231	L	90.4	Very high	86.7	Confident	0 Å²	0	54 Å²	54	0%	0	25%	0.253	C	S	.	.	I	π-helix	trans	-55.6	-57.2	-173.5	-171.9	135.6	0	0	0	114.4	F227 L233 L235 L236 L244 Y256 Y260 H264	F227-L231 HydrophobicContact CE1-CD1 3.58Å; F227-L231 HydrophobicContact CZ-CD1 3.6Å; F227-L231 PolarHBondContact O-N 3.4Å; L231-L233 PolarHBondContact O-N 3.13Å; L231-L235 HydrophobicContact CB-CD1 4.14Å; L231-L235 PolarHBondContact O-N 3.37Å; L231-L236 HydrophobicContact CD2-CD1 3.91Å; L231-L236 HydrophobicContact CD2-CD2 4.22Å; L231-L236 HydrophobicContact CD2-CG 4.1Å; L231-L236 HydrophobicContact CG-CD2 4.2Å; L231-L236 HydrophobicContact CG-CG 4.25Å; L231-L244 HydrophobicContact CD2-CD1 4.18Å; L231-Y256 HydrophobicContact CD2-CG 4.22Å; L231-Y260 HydrophobicContact CD1-CD1 3.88Å; L231-Y260 HydrophobicContact CD1-CD2 3.56Å; L231-Y260 HydrophobicContact CD1-CE1 4.34Å; L231-Y260 HydrophobicContact CD1-CE2 4.07Å; L231-Y260 HydrophobicContact CD1-CG 3.45Å; L231-Y260 VanDerWaalsContact CD1-CG 3.45Å; L231-Y260 HydrophobicContact CD2-CD2 3.9Å; L231-Y260 HydrophobicContact CD2-CE1 4.39Å; L231-Y260 HydrophobicContact CD2-CE2 3.55Å; L231-Y260 HydrophobicContact CD2-CG 4.46Å; L231-Y260 HydrophobicContact CG-CD2 4.4Å; L231-Y260 HydrophobicContact CG-CE2 4.47Å; L231-H264 HydrophobicContact CD1-CB 4.41Å
232	P	85.3	Confident	86.3	Confident	39 Å²	39	49.8 Å²	49.8	25%	0.253	24%	0.24	S	C	.	.	I	π-helix	trans	-66.3	-25.3	178.7	27.2	-36.5	0	0	0	113.5	N228 L244 Y256	N228-P232 WeakPolarHBondContact O-CD 3.48Å; P232-L244 HydrophobicContact CB-CD2 3.81Å; P232-Y256 HydrophobicContact CG-CE2 4.19Å
233	L	82.5	Confident	86.2	Confident	99 Å²	99	48.7 Å²	48.7	52%	0.518	23%	0.229	S	C	.	.	I	π-helix	trans	-78.1	-48.6	-177	-62.9	178.5	0	0	0	112.2	K229 C230 L231 R241	K229-L233 VanDerWaalsContact O-CD1 3.31Å; K229-L233 WeakPolarHBondContact O-CD1 3.16Å; K229-L233 WeakPolarHBondContact O-CG 3.31Å; C230-L233 PolarHBondContact O-N 3.45Å; L231-L233 PolarHBondContact O-N 3.13Å; L233-R241 PolarHBondContact O-NH2 3.17Å
234	Q	84.1	Confident	85.9	Confident	36 Å²	36	49.3 Å²	49.3	17%	0.168	23%	0.232	C	C	.	.	I	π-helix	trans	-141.6	-16.8	-163.6	57.8	170.9	-44.2	0	0	116.8	L106 C230 S271	L106-Q234 HydrophobicContact CD1-CB 4.16Å; L106-Q234 WeakPolarHBondContact CD1-O 3.22Å; C230-Q234 HydrophobicContact CB-CG 4.23Å; C230-Q234 VanDerWaalsContact O-CG 3.3Å; C230-Q234 WeakPolarHBondContact O-CG 3.41Å; C230-Q234 PolarHBondContact O-N 3.47Å; Q234-S271 PolarHBondContact OE1-OG 3.04Å
235	L	87.8	Confident	85.5	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.021	25%	0.248	C	C	.	.	I	π-helix	trans	-89.1	-13.6	-170.8	-52.3	-178.3	0	0	0	114.9	F227 C230 L231 R267 F268 S271	F227-L235 HydrophobicContact CD2-CD1 4.27Å; F227-L235 HydrophobicContact CE2-CD1 4.12Å; C230-L235 HydrophobicContact CB-CD1 4.18Å; C230-L235 HydrophobicContact CB-CG 4.26Å; L231-L235 HydrophobicContact CB-CD1 4.14Å; L231-L235 PolarHBondContact O-N 3.37Å; L235-R267 HydrophobicContact CD2-CB 4.23Å; L235-R267 WeakPolarHBondContact O-CD 3.49Å; L235-R267 PolarHBondContact O-NH1 3.2Å; L235-F268 HydrophobicContact CD1-CB 3.7Å; L235-F268 HydrophobicContact CD1-CD2 4.19Å; L235-F268 HydrophobicContact CD1-CG 4.35Å; L235-F268 HydrophobicContact CD2-CB 4.28Å; L235-S271 WeakPolarHBondContact CD2-OG 3.33Å
236	L	88	Confident	85.1	Confident	10 Å²	10	55 Å²	55	5%	0.052	25%	0.253	C	S	.	.	S	Bend	trans	-99.8	129	-178.7	-58.7	-176.1	0	0	0	111.7	L231 E240 R241 L244 Y260	L231-L236 HydrophobicContact CD2-CD1 3.91Å; L231-L236 HydrophobicContact CD2-CD2 4.22Å; L231-L236 HydrophobicContact CD2-CG 4.1Å; L231-L236 HydrophobicContact CG-CD2 4.2Å; L231-L236 HydrophobicContact CG-CG 4.25Å; L236-E240 WeakPolarHBondContact CA-OE2 3.39Å; L236-E240 HydrophobicContact CB-CB 4.1Å; L236-E240 HydrophobicContact CD2-CB 4.15Å; L236-R241 HydrophobicContact CB-CG 4.17Å; L236-L244 HydrophobicContact CD1-CB 3.66Å; L236-L244 HydrophobicContact CD1-CD2 3.7Å; L236-L244 HydrophobicContact CD1-CG 4.16Å; L236-Y260 HydrophobicContact CD2-CD1 4.36Å; L236-Y260 HydrophobicContact CD2-CE1 3.73Å
237	Y	84	Confident	84.7	Confident	29 Å²	29	52.5 Å²	52.5	11%	0.114	24%	0.24	C	C	.	.			trans	-66	164.6	167.7	-65	-64.1	0	0	0	110.9	H176 V179 T180 F239 E240 R267	H176-Y237 WeakPolarHBondContact CB-OH 3.24Å; H176-Y237 AromaticContact ND1-CE1 3.45Å; H176-Y237 WeakPolarHBondContact ND1-CE1 3.21Å; H176-Y237 AromaticContact ND1-CZ 3.51Å; H176-Y237 PolarHBondContact ND1-OH 2.81Å; V179-Y237 HydrophobicContact CB-CD2 3.93Å; V179-Y237 HydrophobicContact CB-CE2 4.43Å; V179-Y237 HydrophobicContact CG1-CD2 3.74Å; V179-Y237 HydrophobicContact CG1-CG 4.2Å; V179-Y237 HydrophobicContact CG2-CD2 4.3Å; T180-Y237 HydrophobicContact CG2-CD1 4.42Å; Y237-F239 VanDerWaalsContact C-N 3.28Å; Y237-F239 PolarHBondContact O-N 2.71Å; Y237-F239 VanDerWaalsContact O-N 3.14Å; Y237-E240 WeakPolarHBondContact CB-OE2 3.42Å; Y237-E240 WeakPolarHBondContact CD2-OE2 3.46Å; Y237-E240 PolarHBondContact N-OE2 3.17Å; Y237-E240 PolarHBondContact O-N 2.96Å; Y237-E240 VanDerWaalsContact O-N 3.11Å; Y237-R267 VanDerWaalsContact CE2-CZ 3.5Å
238	R	75.7	Confident	84.3	Confident	105 Å²	105	55.7 Å²	55.7	40%	0.396	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-42.2	-171.4	-175.9	175.3	172.9	-178.9	-6.1	113.3	S1061	R238-S1061 PolarHBondContact NH2-OG 3.34Å; R238-S1061 VanDerWaalsContact NH2-OG 3.17Å
239	F	75.4	Confident	83.8	Confident	88 Å²	88	63.4 Å²	63.4	39%	0.386	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-31.9	-177.8	-58.1	-67.8	0	0	0	114	L183 Y237 R241 F242	L183-F239 HydrophobicContact CD2-CD2 4.09Å; L183-F239 HydrophobicContact CD2-CE2 3.73Å; L183-F239 HydrophobicContact CD2-CZ 4.05Å; Y237-F239 VanDerWaalsContact C-N 3.28Å; Y237-F239 PolarHBondContact O-N 2.71Å; Y237-F239 VanDerWaalsContact O-N 3.14Å; F239-R241 PolarHBondContact O-N 3.42Å; F239-F242 HydrophobicContact CD1-CE2 4.48Å; F239-F242 WeakPolarHBondContact O-CD2 3.49Å; F239-F242 PolarHBondContact O-N 2.88Å
240	E	83.4	Confident	83.5	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-70.1	-14.9	179.2	-63.2	167.2	139.9	0	0	112.5	V179 L236 Y237 Q243 L244 H264 R267	V179-E240 HydrophobicContact CG1-CG 3.94Å; L236-E240 WeakPolarHBondContact CA-OE2 3.39Å; L236-E240 HydrophobicContact CB-CB 4.1Å; L236-E240 HydrophobicContact CD2-CB 4.15Å; Y237-E240 WeakPolarHBondContact CB-OE2 3.42Å; Y237-E240 WeakPolarHBondContact CD2-OE2 3.46Å; Y237-E240 PolarHBondContact N-OE2 3.17Å; Y237-E240 PolarHBondContact O-N 2.96Å; Y237-E240 VanDerWaalsContact O-N 3.11Å; E240-Q243 WeakPolarHBondContact O-CB 3.46Å; E240-Q243 PolarHBondContact O-N 2.98Å; E240-L244 PolarHBondContact O-N 3.17Å; E240-L244 VanDerWaalsContact O-N 3.15Å; E240-H264 IonicContact OE1-NE2 3.65Å; E240-R267 VanDerWaalsContact CD-NH1 3.26Å; E240-R267 IonicContact OE1-CZ 3.87Å; E240-R267 IonicContact OE1-NH1 2.75Å; E240-R267 PolarHBondContact OE1-NH1 3.49Å; E240-R267 IonicContact OE1-NH2 3.66Å; E240-R267 PolarHBondContact OE1-NH2 2.76Å; E240-R267 IonicContact OE2-CZ 2.67Å; E240-R267 IonicContact OE2-NH1 2.63Å; E240-R267 PolarHBondContact OE2-NH1 3.49Å; E240-R267 IonicContact OE2-NH2 3.81Å
241	R	83.7	Confident	83	Confident	105 Å²	105	64.2 Å²	64.2	40%	0.396	30%	0.297	S	S	.	.	H	α-helix	trans	-67.1	-34.6	176	-68.1	-176.6	175.7	-127.9	-8	112.8	L233 L236 F239 Q243 L244 E245	L233-R241 PolarHBondContact O-NH2 3.17Å; L236-R241 HydrophobicContact CB-CG 4.17Å; F239-R241 PolarHBondContact O-N 3.42Å; R241-Q243 VanDerWaalsContact C-N 3.25Å; R241-Q243 PolarHBondContact O-N 3.5Å; R241-L244 WeakPolarHBondContact O-CB 3.4Å; R241-L244 PolarHBondContact O-N 2.97Å; R241-L244 VanDerWaalsContact O-N 3.14Å; R241-E245 PolarHBondContact O-N 3.41Å
242	F	81.2	Confident	82.5	Confident	95 Å²	95	69 Å²	69	42%	0.417	33%	0.329	S	S	.	.	H	α-helix	trans	-61.7	-36.3	172.7	-59.8	-63.4	0	0	0	111.7	F239 E245 E246	F239-F242 HydrophobicContact CD1-CE2 4.48Å; F239-F242 WeakPolarHBondContact O-CD2 3.49Å; F239-F242 PolarHBondContact O-N 2.88Å; F242-E245 PolarHBondContact O-N 3.07Å; F242-E246 PolarHBondContact O-N 3.17Å
243	Q	84.1	Confident	82.2	Confident	40 Å²	40	76.5 Å²	76.5	19%	0.187	36%	0.36	C	S	.	.	H	α-helix	trans	-67.6	-39.1	175	-162.4	-176.3	29.6	0	0	111.6	I185 P186 I188 E240 R241 E246 I247	I185-Q243 HydrophobicContact CG2-CB 4.49Å; I185-Q243 HydrophobicContact CG2-CG 4.36Å; P186-Q243 PolarHBondContact O-NE2 2.74Å; I188-Q243 HydrophobicContact CD1-CG 4.41Å; E240-Q243 WeakPolarHBondContact O-CB 3.46Å; E240-Q243 PolarHBondContact O-N 2.98Å; R241-Q243 VanDerWaalsContact C-N 3.25Å; R241-Q243 PolarHBondContact O-N 3.5Å; Q243-E246 PolarHBondContact O-N 3.39Å; Q243-I247 HydrophobicContact CG-CD1 4.06Å; Q243-I247 WeakPolarHBondContact O-CB 3.36Å; Q243-I247 VanDerWaalsContact O-CD1 3.28Å; Q243-I247 WeakPolarHBondContact O-CD1 3.46Å; Q243-I247 WeakPolarHBondContact O-CG1 3.36Å; Q243-I247 PolarHBondContact O-N 3.14Å
244	L	85.4	Confident	82.3	Confident	19 Å²	19	75 Å²	75	10%	0.099	36%	0.355	C	S	.	.	H	α-helix	trans	-63.3	-40.7	174	177.2	66.6	0	0	0	112.3	L231 P232 L236 E240 R241 I247 T248 Y256 Y260	L231-L244 HydrophobicContact CD2-CD1 4.18Å; P232-L244 HydrophobicContact CB-CD2 3.81Å; L236-L244 HydrophobicContact CD1-CB 3.66Å; L236-L244 HydrophobicContact CD1-CD2 3.7Å; L236-L244 HydrophobicContact CD1-CG 4.16Å; E240-L244 PolarHBondContact O-N 3.17Å; E240-L244 VanDerWaalsContact O-N 3.15Å; R241-L244 WeakPolarHBondContact O-CB 3.4Å; R241-L244 PolarHBondContact O-N 2.97Å; R241-L244 VanDerWaalsContact O-N 3.14Å; L244-I247 PolarHBondContact O-N 2.8Å; L244-T248 WeakPolarHBondContact O-CB 3.44Å; L244-T248 PolarHBondContact O-N 3.41Å; L244-T248 PolarHBondContact O-OG1 3.29Å; L244-Y256 HydrophobicContact CD1-CD1 4.09Å; L244-Y256 HydrophobicContact CD1-CE1 3.58Å; L244-Y260 HydrophobicContact CD1-CE2 4.38Å
245	E	82.7	Confident	82.5	Confident	120 Å²	120	75.1 Å²	75.1	56%	0.561	36%	0.362	S	S	*	.	H	α-helix	trans	-60.7	-46.5	176.7	-74	170.9	-167.1	0	0	110.9	R241 F242 I247 T248 R249	R241-E245 PolarHBondContact O-N 3.41Å; F242-E245 PolarHBondContact O-N 3.07Å; E245-I247 PolarHBondContact O-N 3.32Å; E245-T248 WeakPolarHBondContact O-CB 3.33Å; E245-T248 PolarHBondContact O-N 2.7Å; E245-R249 WeakPolarHBondContact O-CG 3.38Å; E245-R249 PolarHBondContact O-N 3.03Å
246	E	82.1	Confident	82.6	Confident	111 Å²	111	77.9 Å²	77.9	52%	0.519	37%	0.373	S	S	.	.	H	α-helix	trans	-65.4	-39.5	176.9	-172.3	57.5	-159.4	0	0	112.7	F242 Q243 T248 R249 T250	F242-E246 PolarHBondContact O-N 3.17Å; Q243-E246 PolarHBondContact O-N 3.39Å; E246-T248 VanDerWaalsContact C-N 3.29Å; E246-T248 PolarHBondContact O-N 3.43Å; E246-R249 PolarHBondContact O-N 2.92Å; E246-T250 HydrophobicContact CG-CG2 4.48Å; E246-T250 WeakPolarHBondContact O-CB 3.35Å; E246-T250 WeakPolarHBondContact O-CG2 3.36Å; E246-T250 PolarHBondContact O-N 3.31Å; E246-T250 PolarHBondContact O-OG1 3.49Å; E246-T250 WeakPolarHBondContact OE1-CG2 3.39Å
247	I	82.4	Confident	82.8	Confident	12 Å²	12	77.5 Å²	77.5	6%	0.062	37%	0.371	C	S	.	.	H	α-helix	trans	-61.7	-38.7	172.7	-70.5	160.5	0	0	0	111.2	I188 Q243 L244 E245 R249 T250 M251 I259 Y260	I188-I247 HydrophobicContact CD1-CD1 3.87Å; I188-I247 HydrophobicContact CG2-CD1 3.82Å; Q243-I247 HydrophobicContact CG-CD1 4.06Å; Q243-I247 WeakPolarHBondContact O-CB 3.36Å; Q243-I247 VanDerWaalsContact O-CD1 3.28Å; Q243-I247 WeakPolarHBondContact O-CD1 3.46Å; Q243-I247 WeakPolarHBondContact O-CG1 3.36Å; Q243-I247 PolarHBondContact O-N 3.14Å; L244-I247 PolarHBondContact O-N 2.8Å; E245-I247 PolarHBondContact O-N 3.32Å; I247-R249 VanDerWaalsContact C-N 3.32Å; I247-R249 PolarHBondContact O-N 3.48Å; I247-T250 WeakPolarHBondContact CA-OG1 3.04Å; I247-T250 PolarHBondContact O-N 3.34Å; I247-T250 PolarHBondContact O-OG1 3.01Å; I247-M251 PolarHBondContact O-N 3.38Å; I247-I259 HydrophobicContact CD1-CG2 4.15Å; I247-I259 HydrophobicContact CG2-CD1 3.78Å; I247-I259 HydrophobicContact CG2-CG2 4.38Å; I247-Y260 HydrophobicContact CD1-CE2 4.29Å
248	T	83.3	Confident	83.1	Confident	68 Å²	68	79.7 Å²	79.7	42%	0.417	38%	0.384	S	S	.	.	H	α-helix	trans	-69.7	-30.9	179.1	-56.3	0	0	0	0	111.7	L244 E245 E246	L244-T248 WeakPolarHBondContact O-CB 3.44Å; L244-T248 PolarHBondContact O-N 3.41Å; L244-T248 PolarHBondContact O-OG1 3.29Å; E245-T248 WeakPolarHBondContact O-CB 3.33Å; E245-T248 PolarHBondContact O-N 2.7Å; E246-T248 VanDerWaalsContact C-N 3.29Å; E246-T248 PolarHBondContact O-N 3.43Å
249	R	81.1	Confident	83.7	Confident	205 Å²	205	75 Å²	75	77%	0.774	37%	0.367	S	S	*	.	H	α-helix	trans	-75.2	-39	173	-65.9	179.6	79.8	139	4.5	112.9	E245 E246 I247	E245-R249 WeakPolarHBondContact O-CG 3.38Å; E245-R249 PolarHBondContact O-N 3.03Å; E246-R249 PolarHBondContact O-N 2.92Å; I247-R249 VanDerWaalsContact C-N 3.32Å; I247-R249 PolarHBondContact O-N 3.48Å
250	T	81.1	Confident	84.4	Confident	78 Å²	78	70.8 Å²	70.8	48%	0.479	35%	0.348	S	S	.	.	H	α-helix	trans	-89.9	-33.6	-172.4	52.2	0	0	0	0	114.4	E246 I247	E246-T250 HydrophobicContact CG-CG2 4.48Å; E246-T250 WeakPolarHBondContact O-CB 3.35Å; E246-T250 WeakPolarHBondContact O-CG2 3.36Å; E246-T250 PolarHBondContact O-N 3.31Å; E246-T250 PolarHBondContact O-OG1 3.49Å; E246-T250 WeakPolarHBondContact OE1-CG2 3.39Å; I247-T250 WeakPolarHBondContact CA-OG1 3.04Å; I247-T250 PolarHBondContact O-N 3.34Å; I247-T250 PolarHBondContact O-OG1 3.01Å
251	M	80.4	Confident	84.7	Confident	85 Å²	85	71 Å²	71	42%	0.419	35%	0.35	S	S	.	.			trans	-137.5	56.2	-172.8	-71.7	179.2	-84.8	0	0	113.3	I247 Q253 V254	I247-M251 PolarHBondContact O-N 3.38Å; M251-Q253 PolarHBondContact O-N 3.1Å; M251-V254 HydrophobicContact CB-CB 4.46Å; M251-V254 HydrophobicContact CB-CG2 4.14Å; M251-V254 PolarHBondContact O-N 3.05Å; M251-V254 VanDerWaalsContact O-N 3.17Å
252	P	78.3	Confident	85	Confident	102 Å²	102	66.5 Å²	66.5	66%	0.662	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-12.4	-171.3	26.1	-36.5	0	0	0	116.1
253	Q	79.3	Confident	85.3	Confident	195 Å²	195	62.7 Å²	62.7	91%	0.911	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-8.5	179.3	-64.1	-169.9	3.4	0	0	114.3	M251	M251-Q253 PolarHBondContact O-N 3.1Å
254	V	84.5	Confident	85.6	Confident	68 Å²	68	61 Å²	61	41%	0.412	31%	0.312	S	S	.	.	S	Bend	trans	-91.9	131	-172.8	-173.9	0	0	0	0	110.7	M251 I259	M251-V254 HydrophobicContact CB-CB 4.46Å; M251-V254 HydrophobicContact CB-CG2 4.14Å; M251-V254 PolarHBondContact O-N 3.05Å; M251-V254 VanDerWaalsContact O-N 3.17Å; V254-I259 HydrophobicContact CB-CD1 3.94Å; V254-I259 HydrophobicContact CB-CG1 4.3Å; V254-I259 HydrophobicContact CG1-CD1 3.84Å; V254-I259 HydrophobicContact CG1-CG1 3.64Å
255	A	88.5	Confident	85.8	Confident	38 Å²	38	60.1 Å²	60.1	31%	0.314	31%	0.307	S	S	.	.			trans	-71.9	135.2	-177.6	0	0	0	0	0	112.5	C257 D258 I259	A255-C257 PolarHBondContact O-N 3.28Å; A255-C257 VanDerWaalsContact O-N 3.09Å; A255-D258 PolarHBondContact O-N 3Å; A255-I259 PolarHBondContact O-N 2.68Å
256	Y	90.8	Very high	86.1	Confident	63 Å²	63	54.4 Å²	54.4	25%	0.247	28%	0.28	C	S	.	.	H	α-helix	trans	-56.5	-31.2	-175.8	-55.2	-51.1	0	0	0	114.6	N228 L231 P232 L244 D258 I259 Y260	N228-Y256 HydrophobicContact CB-CD2 4.5Å; N228-Y256 WeakPolarHBondContact O-CD2 3.22Å; L231-Y256 HydrophobicContact CD2-CG 4.22Å; P232-Y256 HydrophobicContact CG-CE2 4.19Å; L244-Y256 HydrophobicContact CD1-CD1 4.09Å; L244-Y256 HydrophobicContact CD1-CE1 3.58Å; Y256-D258 VanDerWaalsContact C-N 3.27Å; Y256-D258 PolarHBondContact O-N 2.82Å; Y256-I259 HydrophobicContact CD1-CD1 4.38Å; Y256-I259 PolarHBondContact O-N 3.33Å; Y256-Y260 HydrophobicContact CD1-CE2 4.3Å; Y256-Y260 WeakPolarHBondContact O-CD2 3.5Å; Y256-Y260 PolarHBondContact O-N 3.35Å
257	C	91.7	Very high	86.4	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.014	26%	0.258	C	S	.	.	H	α-helix	trans	-69	-20.7	175.5	56.5	0	0	0	0	114.3	S193 A194 A195 F227 N228 A255	S193-C257 WeakPolarHBondContact CB-O 3.37Å; A194-C257 HydrophobicContact CB-CB 4.36Å; A194-C257 PolarHBondContact N-O 3.48Å; A195-C257 HydrophobicContact CB-CB 4.21Å; A195-C257 VanDerWaalsContact CB-O 3.25Å; A195-C257 WeakPolarHBondContact CB-O 3.32Å; A195-C257 PolarHBondContact N-O 2.97Å; F227-C257 HydrophobicContact CD1-CB 3.58Å; F227-C257 HydrophobicContact CE1-CB 4.07Å; F227-C257 HydrophobicContact CG-CB 4.31Å; N228-C257 WeakPolarHBondContact OD1-CB 3.37Å; N228-C257 PolarHBondContact OD1-N 2.92Å; N228-C257 PolarHBondContact OD1-SG 3.14Å; A255-C257 PolarHBondContact O-N 3.28Å; A255-C257 VanDerWaalsContact O-N 3.09Å
258	D	90.8	Very high	86.8	Confident	74 Å²	74	49.3 Å²	49.3	40%	0.396	26%	0.256	S	S	.	.	H	α-helix	trans	-87	-17	172.8	-62.9	-67.7	0	0	0	112.1	S193 A195 A255 Y256	S193-D258 WeakPolarHBondContact CB-O 3.41Å; A195-D258 WeakPolarHBondContact CB-OD1 3.42Å; A255-D258 PolarHBondContact O-N 3Å; Y256-D258 VanDerWaalsContact C-N 3.27Å; Y256-D258 PolarHBondContact O-N 2.82Å
259	I	88.3	Confident	87	Confident	6 Å²	6	46.2 Å²	46.2	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-92.6	-48.8	-179.4	-62.5	173.1	0	0	0	112.2	I188 A190 I247 V254 A255 Y256	I188-I259 HydrophobicContact CG2-CG2 3.3Å; A190-I259 PolarHBondContact N-O 3.03Å; I247-I259 HydrophobicContact CD1-CG2 4.15Å; I247-I259 HydrophobicContact CG2-CD1 3.78Å; I247-I259 HydrophobicContact CG2-CG2 4.38Å; V254-I259 HydrophobicContact CB-CD1 3.94Å; V254-I259 HydrophobicContact CB-CG1 4.3Å; V254-I259 HydrophobicContact CG1-CD1 3.84Å; V254-I259 HydrophobicContact CG1-CG1 3.64Å; A255-I259 PolarHBondContact O-N 2.68Å; Y256-I259 HydrophobicContact CD1-CD1 4.38Å; Y256-I259 PolarHBondContact O-N 3.33Å
260	Y	90.2	Very high	87.1	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.206	C	C	.	.			trans	-95.8	144.9	-171.8	-73.1	-93.5	0	0	0	112.3	I188 A194 L231 L236 L244 I247 Y256 H264	I188-Y260 HydrophobicContact CD1-CD1 3.59Å; I188-Y260 HydrophobicContact CD1-CE1 3.29Å; I188-Y260 HydrophobicContact CD1-CE2 4.38Å; I188-Y260 HydrophobicContact CD1-CG 4.27Å; A194-Y260 VanDerWaalsContact CB-O 3.3Å; A194-Y260 WeakPolarHBondContact CB-O 3.28Å; A194-Y260 PolarHBondContact N-O 2.65Å; L231-Y260 HydrophobicContact CD1-CD1 3.88Å; L231-Y260 HydrophobicContact CD1-CD2 3.56Å; L231-Y260 HydrophobicContact CD1-CE1 4.34Å; L231-Y260 HydrophobicContact CD1-CE2 4.07Å; L231-Y260 HydrophobicContact CD1-CG 3.45Å; L231-Y260 VanDerWaalsContact CD1-CG 3.45Å; L231-Y260 HydrophobicContact CD2-CD2 3.9Å; L231-Y260 HydrophobicContact CD2-CE1 4.39Å; L231-Y260 HydrophobicContact CD2-CE2 3.55Å; L231-Y260 HydrophobicContact CD2-CG 4.46Å; L231-Y260 HydrophobicContact CG-CD2 4.4Å; L231-Y260 HydrophobicContact CG-CE2 4.47Å; L236-Y260 HydrophobicContact CD2-CD1 4.36Å; L236-Y260 HydrophobicContact CD2-CE1 3.73Å; L244-Y260 HydrophobicContact CD1-CE2 4.38Å; I247-Y260 HydrophobicContact CD1-CE2 4.29Å; Y256-Y260 HydrophobicContact CD1-CE2 4.3Å; Y256-Y260 WeakPolarHBondContact O-CD2 3.5Å; Y256-Y260 PolarHBondContact O-N 3.35Å; Y260-H264 AromaticContact CD1-CD2 3.69Å; Y260-H264 AromaticContact CD1-CE1 3.61Å; Y260-H264 AromaticContact CD1-CG 3.79Å; Y260-H264 AromaticContact CD1-ND1 3.73Å; Y260-H264 AromaticContact CD1-NE2 3.57Å; Y260-H264 AromaticContact CE1-NE2 3.89Å
261	G	89.6	Confident	87.2	Confident	4 Å²	4	34.4 Å²	34.4	4%	0.041	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-107.7	-156.8	-168.2	0	0	0	0	0	116.7	A263 H264 L265	G261-A263 PolarHBondContact O-N 2.94Å; G261-H264 PolarHBondContact O-N 3.47Å; G261-L265 PolarHBondContact O-N 2.9Å
262	Y	89.4	Confident	87.3	Confident	12 Å²	12	30.7 Å²	30.7	5%	0.047	17%	0.167	C	C	.	.	H	α-helix	trans	-53.2	-43.5	-169.3	-175.4	-83	0	0	0	115.4	V171 I197 L265 V266 L300 K303 L306 L307	V171-Y262 HydrophobicContact CG1-CE1 4.29Å; I197-Y262 HydrophobicContact CD1-CD2 4.1Å; I197-Y262 HydrophobicContact CD1-CG 4.49Å; Y262-L265 WeakPolarHBondContact O-CB 3.35Å; Y262-L265 PolarHBondContact O-N 2.98Å; Y262-V266 HydrophobicContact CD1-CG2 4Å; Y262-V266 HydrophobicContact CE1-CG2 3.49Å; Y262-V266 VanDerWaalsContact CE1-CG2 3.49Å; Y262-V266 PolarHBondContact O-N 3.4Å; Y262-L300 HydrophobicContact CD2-CD2 4.39Å; Y262-L300 HydrophobicContact CE2-CD2 3.92Å; Y262-L300 PolarHBondContact OH-O 3.01Å; Y262-K303 HydrophobicContact CE2-CB 4.07Å; Y262-L306 HydrophobicContact CD2-CB 4.05Å; Y262-L306 HydrophobicContact CD2-CD1 3.7Å; Y262-L306 HydrophobicContact CD2-CG 4.47Å; Y262-L306 HydrophobicContact CE2-CD1 4.29Å; Y262-L306 HydrophobicContact CG-CB 4.05Å; Y262-L306 HydrophobicContact CG-CD1 4.4Å; Y262-L307 HydrophobicContact CD1-CD1 3.44Å; Y262-L307 VanDerWaalsContact CD1-CD1 3.44Å; Y262-L307 HydrophobicContact CD1-CG 4.05Å; Y262-L307 HydrophobicContact CE1-CD1 3.33Å; Y262-L307 HydrophobicContact CE1-CG 4.41Å
263	A	86.7	Confident	87.1	Confident	15 Å²	15	28.8 Å²	28.8	12%	0.124	15%	0.146	C	C	.	.	H	α-helix	trans	-59.2	-53.9	-178.1	0	0	0	0	0	111.9	D175 G261 L265 V266 R267 L307	D175-A263 WeakPolarHBondContact OD1-CB 3.39Å; G261-A263 PolarHBondContact O-N 2.94Å; A263-L265 PolarHBondContact O-N 3.48Å; A263-V266 PolarHBondContact O-N 3.42Å; A263-R267 PolarHBondContact O-N 3.28Å; A263-L307 HydrophobicContact CB-CD2 4.39Å
264	H	90.7	Very high	86.8	Confident	4 Å²	4	22.9 Å²	22.9	2%	0.019	12%	0.121	C	C	.	.	H	α-helix	trans	-55.8	-36.7	174.3	-55.1	89.2	0	0	0	112.7	F227 L231 E240 Y260 G261 R267 F268	F227-H264 HydrophobicContact CE2-CB 4.18Å; F227-H264 HydrophobicContact CZ-CB 3.9Å; L231-H264 HydrophobicContact CD1-CB 4.41Å; E240-H264 IonicContact OE1-NE2 3.65Å; Y260-H264 AromaticContact CD1-CD2 3.69Å; Y260-H264 AromaticContact CD1-CE1 3.61Å; Y260-H264 AromaticContact CD1-CG 3.79Å; Y260-H264 AromaticContact CD1-ND1 3.73Å; Y260-H264 AromaticContact CD1-NE2 3.57Å; Y260-H264 AromaticContact CE1-NE2 3.89Å; G261-H264 PolarHBondContact O-N 3.47Å; H264-R267 PolarHBondContact O-N 3.17Å; H264-F268 WeakPolarHBondContact O-CB 3.28Å; H264-F268 PolarHBondContact O-N 3.37Å
265	L	90.4	Very high	86.5	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-66.7	-36.3	175.4	-174	59	0	0	0	112.2	A194 I197 L198 F227 G261 Y262 A263 F268 C269 F296 L300	A194-L265 HydrophobicContact CB-CB 4.25Å; A194-L265 HydrophobicContact CB-CD1 4.3Å; A194-L265 HydrophobicContact CB-CD2 4.3Å; I197-L265 HydrophobicContact CB-CD2 3.8Å; I197-L265 HydrophobicContact CD1-CD2 4.05Å; I197-L265 HydrophobicContact CG2-CD2 3.56Å; L198-L265 HydrophobicContact CD1-CD1 4.43Å; L198-L265 HydrophobicContact CG-CD1 4.43Å; F227-L265 HydrophobicContact CD2-CD1 4.23Å; F227-L265 HydrophobicContact CE2-CB 4.44Å; F227-L265 HydrophobicContact CE2-CD1 4.41Å; G261-L265 PolarHBondContact O-N 2.9Å; Y262-L265 WeakPolarHBondContact O-CB 3.35Å; Y262-L265 PolarHBondContact O-N 2.98Å; A263-L265 PolarHBondContact O-N 3.48Å; L265-F268 HydrophobicContact CD1-CD1 4.18Å; L265-F268 WeakPolarHBondContact O-CB 3.39Å; L265-F268 PolarHBondContact O-N 3.09Å; L265-C269 PolarHBondContact O-N 3.08Å; L265-C269 PolarHBondContact O-SG 2.91Å; L265-F296 HydrophobicContact CD1-CZ 4.19Å; L265-F296 HydrophobicContact CD2-CZ 4.13Å; L265-F296 HydrophobicContact CG-CZ 4.27Å; L265-L300 HydrophobicContact CD2-CD2 4.01Å
266	V	88.5	Confident	86	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-72	-37.3	173.1	-179.1	0	0	0	0	111.7	L168 V171 L172 Y262 A263 F268 C269 F270	L168-V266 HydrophobicContact CB-CG1 4.19Å; L168-V266 HydrophobicContact CD2-CG1 4.34Å; L168-V266 HydrophobicContact CD2-CG2 4.28Å; V171-V266 HydrophobicContact CG1-CB 4.24Å; V171-V266 HydrophobicContact CG1-CG1 4.01Å; V171-V266 HydrophobicContact CG1-CG2 4.21Å; L172-V266 HydrophobicContact CD1-CG1 4.4Å; L172-V266 HydrophobicContact CD2-CB 4.31Å; L172-V266 HydrophobicContact CD2-CG1 3.91Å; L172-V266 HydrophobicContact CG-CG1 3.91Å; Y262-V266 HydrophobicContact CD1-CG2 4Å; Y262-V266 HydrophobicContact CE1-CG2 3.49Å; Y262-V266 VanDerWaalsContact CE1-CG2 3.49Å; Y262-V266 PolarHBondContact O-N 3.4Å; A263-V266 PolarHBondContact O-N 3.42Å; V266-F268 VanDerWaalsContact C-N 3.31Å; V266-F268 PolarHBondContact O-N 3.01Å; V266-C269 WeakPolarHBondContact O-CB 3.49Å; V266-C269 PolarHBondContact O-N 3.41Å; V266-F270 PolarHBondContact O-N 3.24Å
267	R	89.2	Confident	85.2	Confident	16 Å²	16	23 Å²	23	6%	0.06	11%	0.112	C	C	.	.	H	α-helix	trans	-58	-46.2	170.9	-62.5	179.2	-159.7	165.3	5	110.5	L172 D175 L235 Y237 E240 A263 H264 C269 F270 S271	L172-R267 HydrophobicContact CD2-CB 4.35Å; L172-R267 HydrophobicContact CD2-CG 3.58Å; D175-R267 IonicContact OD1-CZ 3.32Å; D175-R267 IonicContact OD1-NH2 2.76Å; D175-R267 PolarHBondContact OD1-NH2 3.44Å; D175-R267 IonicContact OD2-CZ 2.68Å; D175-R267 VanDerWaalsContact OD2-CZ 3.25Å; D175-R267 IonicContact OD2-NE 2.83Å; D175-R267 PolarHBondContact OD2-NE 2.79Å; D175-R267 IonicContact OD2-NH2 2.67Å; D175-R267 PolarHBondContact OD2-NH2 2.98Å; L235-R267 HydrophobicContact CD2-CB 4.23Å; L235-R267 WeakPolarHBondContact O-CD 3.49Å; L235-R267 PolarHBondContact O-NH1 3.2Å; Y237-R267 VanDerWaalsContact CE2-CZ 3.5Å; E240-R267 VanDerWaalsContact CD-NH1 3.26Å; E240-R267 IonicContact OE1-CZ 3.87Å; E240-R267 IonicContact OE1-NH1 2.75Å; E240-R267 PolarHBondContact OE1-NH1 3.49Å; E240-R267 IonicContact OE1-NH2 3.66Å; E240-R267 PolarHBondContact OE1-NH2 2.76Å; E240-R267 IonicContact OE2-CZ 2.67Å; E240-R267 IonicContact OE2-NH1 2.63Å; E240-R267 PolarHBondContact OE2-NH1 3.49Å; E240-R267 IonicContact OE2-NH2 3.81Å; A263-R267 PolarHBondContact O-N 3.28Å; H264-R267 PolarHBondContact O-N 3.17Å; R267-C269 PolarHBondContact O-N 2.95Å; R267-F270 WeakPolarHBondContact O-CB 3.47Å; R267-F270 PolarHBondContact O-N 3.39Å; R267-F270 VanDerWaalsContact O-N 3.1Å; R267-S271 PolarHBondContact O-N 3.39Å; R267-S271 VanDerWaalsContact O-N 3.08Å
268	F	90.7	Very high	84.4	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-58.3	-42.5	175.5	177.1	-117.7	0	0	0	112.8	M223 L226 F227 C230 L235 H264 L265 V266 F270 S271 L272	M223-F268 HydrophobicContact CE-CD1 4.4Å; M223-F268 HydrophobicContact CE-CE1 3.75Å; M223-F268 HydrophobicContact SD-CE1 3.94Å; M223-F268 HydrophobicContact SD-CZ 4.42Å; L226-F268 HydrophobicContact CB-CE2 3.95Å; L226-F268 HydrophobicContact CB-CZ 3.58Å; F227-F268 HydrophobicContact CB-CD1 4.37Å; F227-F268 HydrophobicContact CB-CE1 4.28Å; F227-F268 HydrophobicContact CB-CZ 4.37Å; F227-F268 HydrophobicContact CD2-CB 3.77Å; F227-F268 AromaticContact CD2-CD1 3.9Å; F227-F268 HydrophobicContact CD2-CD1 3.9Å; F227-F268 HydrophobicContact CD2-CD2 4.37Å; F227-F268 AromaticContact CD2-CG 3.75Å; F227-F268 HydrophobicContact CD2-CG 3.75Å; F227-F268 HydrophobicContact CE2-CB 4.09Å; C230-F268 HydrophobicContact CB-CD2 4.04Å; C230-F268 HydrophobicContact CB-CE2 4.17Å; L235-F268 HydrophobicContact CD1-CB 3.7Å; L235-F268 HydrophobicContact CD1-CD2 4.19Å; L235-F268 HydrophobicContact CD1-CG 4.35Å; L235-F268 HydrophobicContact CD2-CB 4.28Å; H264-F268 WeakPolarHBondContact O-CB 3.28Å; H264-F268 PolarHBondContact O-N 3.37Å; L265-F268 HydrophobicContact CD1-CD1 4.18Å; L265-F268 WeakPolarHBondContact O-CB 3.39Å; L265-F268 PolarHBondContact O-N 3.09Å; V266-F268 VanDerWaalsContact C-N 3.31Å; V266-F268 PolarHBondContact O-N 3.01Å; F268-F270 PolarHBondContact O-N 2.91Å; F268-S271 PolarHBondContact O-N 3.48Å; F268-L272 HydrophobicContact CE1-CD1 4.38Å; F268-L272 HydrophobicContact CE2-CD1 4.15Å; F268-L272 HydrophobicContact CZ-CD1 3.77Å; F268-L272 WeakPolarHBondContact O-CB 3.32Å; F268-L272 PolarHBondContact O-N 3.41Å
269	C	86.2	Confident	83.5	Confident	3 Å²	3	25.7 Å²	25.7	2%	0.02	14%	0.141	C	C	.	.	H	α-helix	trans	-59.6	-31.9	176	-65.2	0	0	0	0	113.4	L265 V266 R267 F297 L300	L265-C269 PolarHBondContact O-N 3.08Å; L265-C269 PolarHBondContact O-SG 2.91Å; V266-C269 WeakPolarHBondContact O-CB 3.49Å; V266-C269 PolarHBondContact O-N 3.41Å; R267-C269 PolarHBondContact O-N 2.95Å; C269-F297 HydrophobicContact CB-CD1 4.05Å; C269-F297 HydrophobicContact CB-CE1 3.54Å; C269-F297 HydrophobicContact CB-CZ 4.29Å; C269-F297 VanDerWaalsContact SG-CE1 3.54Å; C269-L300 WeakPolarHBondContact SG-CD1 3.26Å
270	F	83.4	Confident	82.5	Confident	31 Å²	31	32 Å²	32	14%	0.136	17%	0.168	C	C	.	.	H	α-helix	trans	-72.6	-52.4	173.6	-111.7	-94	0	0	0	111.6	M110 I164 I169 L172 V266 R267 F268 L272 R273	M110-F270 HydrophobicContact SD-CE1 4Å; I164-F270 HydrophobicContact CB-CE2 4.47Å; I164-F270 HydrophobicContact CD1-CD1 3.86Å; I164-F270 HydrophobicContact CD1-CD2 3.65Å; I164-F270 HydrophobicContact CD1-CE1 3.92Å; I164-F270 HydrophobicContact CD1-CE2 3.75Å; I164-F270 HydrophobicContact CD1-CG 3.74Å; I164-F270 HydrophobicContact CD1-CZ 3.87Å; I164-F270 HydrophobicContact CG2-CD2 4.17Å; I164-F270 HydrophobicContact CG2-CE2 3.66Å; I164-F270 HydrophobicContact CG2-CZ 4.27Å; I169-F270 HydrophobicContact CD1-CZ 4.37Å; I169-F270 HydrophobicContact CG1-CE2 4.12Å; I169-F270 HydrophobicContact CG1-CZ 3.94Å; L172-F270 HydrophobicContact CD1-CB 4.09Å; L172-F270 HydrophobicContact CD1-CD1 4.48Å; L172-F270 HydrophobicContact CD1-CD2 3.22Å; L172-F270 HydrophobicContact CD1-CE2 3.64Å; L172-F270 HydrophobicContact CD1-CG 3.69Å; L172-F270 HydrophobicContact CD1-CZ 4.44Å; L172-F270 HydrophobicContact CG-CD2 4.49Å; V266-F270 PolarHBondContact O-N 3.24Å; R267-F270 WeakPolarHBondContact O-CB 3.47Å; R267-F270 PolarHBondContact O-N 3.39Å; R267-F270 VanDerWaalsContact O-N 3.1Å; F268-F270 PolarHBondContact O-N 2.91Å; F270-L272 PolarHBondContact O-N 3.18Å; F270-L272 VanDerWaalsContact O-N 3.13Å; F270-R273 WeakPolarHBondContact O-CB 3.31Å; F270-R273 PolarHBondContact O-N 2.95Å; F270-R273 VanDerWaalsContact O-N 3.15Å
271	S	83.8	Confident	81.7	Confident	5 Å²	5	33.9 Å²	33.9	4%	0.035	18%	0.179	C	C	.	.	H	α-helix	trans	-54.9	-30.7	175.1	-68.8	0	0	0	0	113.4	Q234 L235 R267 F268 R273 D274 I275	Q234-S271 PolarHBondContact OE1-OG 3.04Å; L235-S271 WeakPolarHBondContact CD2-OG 3.33Å; R267-S271 PolarHBondContact O-N 3.39Å; R267-S271 VanDerWaalsContact O-N 3.08Å; F268-S271 PolarHBondContact O-N 3.48Å; S271-R273 PolarHBondContact O-N 2.69Å; S271-D274 PolarHBondContact O-N 3.43Å; S271-D274 VanDerWaalsContact O-N 3.13Å; S271-I275 VanDerWaalsContact O-CG1 3.31Å; S271-I275 WeakPolarHBondContact O-CG1 3.41Å; S271-I275 PolarHBondContact O-N 2.9Å
272	L	82.5	Confident	81.2	Confident	6 Å²	6	37.2 Å²	37.2	3%	0.031	20%	0.199	C	C	.	.	H	α-helix	trans	-59.6	-31.7	-179.5	-160.7	74.7	0	0	0	113	M223 L226 F268 F270 D274 L276 L293	M223-L272 HydrophobicContact CE-CD2 4.34Å; M223-L272 HydrophobicContact SD-CD2 4.25Å; L226-L272 HydrophobicContact CD1-CD1 4.27Å; F268-L272 HydrophobicContact CE1-CD1 4.38Å; F268-L272 HydrophobicContact CE2-CD1 4.15Å; F268-L272 HydrophobicContact CZ-CD1 3.77Å; F268-L272 WeakPolarHBondContact O-CB 3.32Å; F268-L272 PolarHBondContact O-N 3.41Å; F270-L272 PolarHBondContact O-N 3.18Å; F270-L272 VanDerWaalsContact O-N 3.13Å; L272-D274 PolarHBondContact O-N 3.44Å; L272-L276 HydrophobicContact CD2-CD1 4.4Å; L272-L276 HydrophobicContact CG-CD1 4.1Å; L272-L276 HydrophobicContact CG-CG 4.39Å; L272-L276 WeakPolarHBondContact O-CB 3.22Å; L272-L276 WeakPolarHBondContact O-CD1 3.34Å; L272-L276 WeakPolarHBondContact O-CG 3.35Å; L272-L276 PolarHBondContact O-N 3.45Å; L272-L293 HydrophobicContact CD2-CD1 3.94Å; L272-L293 HydrophobicContact CD2-CD2 3.44Å; L272-L293 VanDerWaalsContact CD2-CD2 3.44Å; L272-L293 HydrophobicContact CD2-CG 4.36Å
273	R	74.4	Confident	80.5	Confident	63 Å²	63	43.9 Å²	43.9	24%	0.238	23%	0.228	C	C	.	.	H	α-helix	trans	-59.1	-46.8	174.8	170.3	172.9	162.1	-114.4	4.6	111.4	D160 F270 S271 L276 K277	D160-R273 IonicContact OD1-CZ 3.72Å; D160-R273 IonicContact OD1-NE 2.78Å; D160-R273 PolarHBondContact OD1-NE 2.85Å; D160-R273 IonicContact OD1-NH2 2.79Å; D160-R273 PolarHBondContact OD1-NH2 3.29Å; D160-R273 VanDerWaalsContact OD1-NH2 3.11Å; D160-R273 IonicContact OD2-CZ 3.14Å; D160-R273 IonicContact OD2-NE 2.82Å; D160-R273 IonicContact OD2-NH2 3.82Å; D160-R273 PolarHBondContact OD2-NH2 2.68Å; F270-R273 WeakPolarHBondContact O-CB 3.31Å; F270-R273 PolarHBondContact O-N 2.95Å; F270-R273 VanDerWaalsContact O-N 3.15Å; S271-R273 PolarHBondContact O-N 2.69Å; R273-L276 PolarHBondContact O-N 2.98Å; R273-K277 WeakPolarHBondContact O-CG 3.39Å; R273-K277 PolarHBondContact O-N 2.99Å; R273-K277 VanDerWaalsContact O-N 3.12Å
274	D	72.1	Confident	79.9	Confident	70 Å²	70	47 Å²	47	37%	0.374	25%	0.249	S	C	.	.	H	α-helix	trans	-79.7	-31.4	-175.8	-56.2	-45.6	0	0	0	111.4	S271 L272 K277 S278	S271-D274 PolarHBondContact O-N 3.43Å; S271-D274 VanDerWaalsContact O-N 3.13Å; L272-D274 PolarHBondContact O-N 3.44Å; D274-K277 PolarHBondContact O-N 3.04Å; D274-S278 WeakPolarHBondContact O-CB 3.38Å; D274-S278 PolarHBondContact O-N 3.18Å
275	I	79.9	Confident	79.3	Confident	35 Å²	35	51.3 Å²	51.3	18%	0.179	27%	0.27	C	S	.	.	H	α-helix	trans	-59.1	-50.8	167.9	-65.5	163.3	0	0	0	110.4	C230 S271 K277 S278 A279	C230-I275 WeakPolarHBondContact SG-CD1 3.36Å; S271-I275 VanDerWaalsContact O-CG1 3.31Å; S271-I275 WeakPolarHBondContact O-CG1 3.41Å; S271-I275 PolarHBondContact O-N 2.9Å; I275-K277 VanDerWaalsContact C-N 3.34Å; I275-K277 PolarHBondContact O-N 3.09Å; I275-S278 PolarHBondContact O-N 3.32Å; I275-S278 VanDerWaalsContact O-N 3.09Å; I275-S278 PolarHBondContact O-OG 2.76Å; I275-A279 WeakPolarHBondContact O-CB 3.46Å; I275-A279 PolarHBondContact O-N 2.83Å
276	L	77.7	Confident	78.7	Confident	28 Å²	28	52.9 Å²	52.9	15%	0.147	28%	0.277	C	S	.	.	H	α-helix	trans	-62	-39	-180	-72.7	166.2	0	0	0	112.3	L272 R273 A279 V281 M286 L293	L272-L276 HydrophobicContact CD2-CD1 4.4Å; L272-L276 HydrophobicContact CG-CD1 4.1Å; L272-L276 HydrophobicContact CG-CG 4.39Å; L272-L276 WeakPolarHBondContact O-CB 3.22Å; L272-L276 WeakPolarHBondContact O-CD1 3.34Å; L272-L276 WeakPolarHBondContact O-CG 3.35Å; L272-L276 PolarHBondContact O-N 3.45Å; R273-L276 PolarHBondContact O-N 2.98Å; L276-A279 PolarHBondContact O-N 3.39Å; L276-V281 HydrophobicContact CD2-CG2 4.11Å; L276-M286 HydrophobicContact CD2-SD 4.46Å; L276-L293 HydrophobicContact CD1-CD1 3.66Å
277	K	73.8	Confident	78.1	Confident	108 Å²	108	58.3 Å²	58.3	47%	0.47	30%	0.303	S	S	.	.	H	α-helix	trans	-59.1	-46.3	170.5	-75.9	-178.6	173.5	-172.7	0	112.2	D160 R273 D274 I275 A279	D160-K277 WeakPolarHBondContact OD1-CE 3.4Å; D160-K277 IonicContact OD1-NZ 2.73Å; D160-K277 PolarHBondContact OD1-NZ 2.93Å; D160-K277 IonicContact OD2-NZ 2.77Å; D160-K277 PolarHBondContact OD2-NZ 2.88Å; R273-K277 WeakPolarHBondContact O-CG 3.39Å; R273-K277 PolarHBondContact O-N 2.99Å; R273-K277 VanDerWaalsContact O-N 3.12Å; D274-K277 PolarHBondContact O-N 3.04Å; I275-K277 VanDerWaalsContact C-N 3.34Å; I275-K277 PolarHBondContact O-N 3.09Å; K277-A279 VanDerWaalsContact C-N 3.31Å; K277-A279 PolarHBondContact O-N 3.06Å
278	S	73.5	Confident	77.7	Confident	72 Å²	72	61.3 Å²	61.3	50%	0.503	32%	0.323	S	S	.	.	H	α-helix	trans	-68.3	-29.1	-178.7	75.4	0	0	0	0	113.6	D274 I275 K280	D274-S278 WeakPolarHBondContact O-CB 3.38Å; D274-S278 PolarHBondContact O-N 3.18Å; I275-S278 PolarHBondContact O-N 3.32Å; I275-S278 VanDerWaalsContact O-N 3.09Å; I275-S278 PolarHBondContact O-OG 2.76Å; S278-K280 VanDerWaalsContact C-N 3.28Å; S278-K280 PolarHBondContact O-N 2.67Å
279	A	71.8	Confident	77.2	Confident	61 Å²	61	64 Å²	64	50%	0.504	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	0.1	-171.4	0	0	0	0	0	115.1	I275 L276 K277 V281	I275-A279 WeakPolarHBondContact O-CB 3.46Å; I275-A279 PolarHBondContact O-N 2.83Å; L276-A279 PolarHBondContact O-N 3.39Å; K277-A279 VanDerWaalsContact C-N 3.31Å; K277-A279 PolarHBondContact O-N 3.06Å; A279-V281 HydrophobicContact CB-CG2 3.89Å; A279-V281 PolarHBondContact O-N 3.34Å
280	K	69.1	Low	77	Confident	140 Å²	140	66.2 Å²	66.2	61%	0.609	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	31.6	178.9	-57.7	-172.1	177.7	-173.8	0	114.5	S278 T282	S278-K280 VanDerWaalsContact C-N 3.28Å; S278-K280 PolarHBondContact O-N 2.67Å; K280-T282 PolarHBondContact O-N 3.19Å
281	V	72.4	Confident	77	Confident	38 Å²	38	67.9 Å²	67.9	23%	0.23	36%	0.362	C	S	.	.			trans	-55.9	129.9	-180	-170.9	0	0	0	0	110.1	L276 A279 E285 M286 I289	L276-V281 HydrophobicContact CD2-CG2 4.11Å; A279-V281 HydrophobicContact CB-CG2 3.89Å; A279-V281 PolarHBondContact O-N 3.34Å; V281-E285 HydrophobicContact CG1-CB 3.44Å; V281-E285 VanDerWaalsContact CG1-CB 3.44Å; V281-M286 HydrophobicContact CB-CG 3.98Å; V281-M286 HydrophobicContact CB-SD 4.14Å; V281-M286 HydrophobicContact CG1-CG 3.72Å; V281-M286 HydrophobicContact CG1-SD 3.99Å; V281-I289 HydrophobicContact CG1-CD1 4.26Å
282	T	79	Confident	77	Confident	74 Å²	74	68.2 Å²	68.2	45%	0.454	36%	0.363	S	S	.	.			trans	-69	161.2	-179.7	67.7	0	0	0	0	111.5	K280 S284 E285 M286	K280-T282 PolarHBondContact O-N 3.19Å; T282-S284 VanDerWaalsContact C-N 3.25Å; T282-S284 PolarHBondContact O-N 3.43Å; T282-E285 VanDerWaalsContact CB-OE2 3.25Å; T282-E285 WeakPolarHBondContact CB-OE2 3.36Å; T282-E285 VanDerWaalsContact CG2-OE2 3.3Å; T282-E285 WeakPolarHBondContact CG2-OE2 3.48Å; T282-E285 PolarHBondContact N-OE2 2.88Å; T282-E285 PolarHBondContact O-N 2.9Å; T282-E285 WeakPolarHBondContact OG1-CG 3.45Å; T282-E285 PolarHBondContact OG1-N 3.18Å; T282-E285 PolarHBondContact OG1-OE2 3.1Å; T282-M286 PolarHBondContact O-N 3.4Å
283	K	74.8	Confident	77.1	Confident	152 Å²	152	68.1 Å²	68.1	66%	0.661	36%	0.363	S	S	*	.	H	α-helix	trans	-58.3	-37.3	179.1	-172.1	172.6	177.7	-72.4	0	112.6	M286 E287	K283-M286 PolarHBondContact O-N 3.11Å; K283-E287 WeakPolarHBondContact CE-OE1 3.18Å; K283-E287 IonicContact NZ-OE1 3.19Å; K283-E287 PolarHBondContact NZ-OE1 2.98Å; K283-E287 IonicContact NZ-OE2 2.76Å; K283-E287 WeakPolarHBondContact O-CB 3.36Å; K283-E287 VanDerWaalsContact O-CG 3.3Å; K283-E287 WeakPolarHBondContact O-CG 3.16Å; K283-E287 PolarHBondContact O-N 3.09Å
284	S	75	Confident	77.6	Confident	81 Å²	81	68.3 Å²	68.3	57%	0.566	37%	0.368	S	S	*	.	H	α-helix	trans	-66.5	-44.9	177.3	177.6	0	0	0	0	112.5	T282 E287 T288	T282-S284 VanDerWaalsContact C-N 3.25Å; T282-S284 PolarHBondContact O-N 3.43Å; S284-E287 PolarHBondContact O-N 3.3Å; S284-T288 PolarHBondContact O-N 3.38Å; S284-T288 VanDerWaalsContact O-N 3.1Å; S284-T288 PolarHBondContact O-OG1 3.18Å
285	E	77.4	Confident	78.2	Confident	95 Å²	95	68.1 Å²	68.1	44%	0.444	37%	0.365	S	S	.	.	H	α-helix	trans	-65.1	-42	175.5	-68.6	164.3	122.9	0	0	111.2	V281 T282 E287 T288 I289	V281-E285 HydrophobicContact CG1-CB 3.44Å; V281-E285 VanDerWaalsContact CG1-CB 3.44Å; T282-E285 VanDerWaalsContact CB-OE2 3.25Å; T282-E285 WeakPolarHBondContact CB-OE2 3.36Å; T282-E285 VanDerWaalsContact CG2-OE2 3.3Å; T282-E285 WeakPolarHBondContact CG2-OE2 3.48Å; T282-E285 PolarHBondContact N-OE2 2.88Å; T282-E285 PolarHBondContact O-N 2.9Å; T282-E285 WeakPolarHBondContact OG1-CG 3.45Å; T282-E285 PolarHBondContact OG1-N 3.18Å; T282-E285 PolarHBondContact OG1-OE2 3.1Å; E285-E287 PolarHBondContact O-N 3.09Å; E285-T288 WeakPolarHBondContact O-CB 2.97Å; E285-T288 PolarHBondContact O-N 2.84Å; E285-T288 VanDerWaalsContact O-N 3.1Å; E285-I289 HydrophobicContact CB-CD1 4.41Å; E285-I289 WeakPolarHBondContact O-CB 3.45Å; E285-I289 WeakPolarHBondContact O-CD1 3.47Å; E285-I289 VanDerWaalsContact O-CG1 3.24Å; E285-I289 WeakPolarHBondContact O-CG1 3.39Å; E285-I289 PolarHBondContact O-N 3.39Å
286	M	77	Confident	78.6	Confident	33 Å²	33	66.5 Å²	66.5	16%	0.163	36%	0.357	C	S	.	.	H	α-helix	trans	-61	-42.6	174.1	-79.6	-62.4	-71.4	0	0	112.3	I159 L276 V281 T282 K283 T288 I289 L290	I159-M286 HydrophobicContact CG2-CE 4.41Å; L276-M286 HydrophobicContact CD2-SD 4.46Å; V281-M286 HydrophobicContact CB-CG 3.98Å; V281-M286 HydrophobicContact CB-SD 4.14Å; V281-M286 HydrophobicContact CG1-CG 3.72Å; V281-M286 HydrophobicContact CG1-SD 3.99Å; T282-M286 PolarHBondContact O-N 3.4Å; K283-M286 PolarHBondContact O-N 3.11Å; M286-T288 PolarHBondContact O-N 3.31Å; M286-I289 PolarHBondContact O-N 3.44Å; M286-L290 HydrophobicContact CE-CD1 4.2Å; M286-L290 WeakPolarHBondContact O-CB 3.47Å; M286-L290 PolarHBondContact O-N 3.3Å
287	E	76.6	Confident	79	Confident	114 Å²	114	65.2 Å²	65.2	53%	0.533	35%	0.35	S	S	.	.	H	α-helix	trans	-63.3	-26.8	175.2	-77.2	167.5	178	0	0	112.5	K283 S284 E285 P291	K283-E287 WeakPolarHBondContact CE-OE1 3.18Å; K283-E287 IonicContact NZ-OE1 3.19Å; K283-E287 PolarHBondContact NZ-OE1 2.98Å; K283-E287 IonicContact NZ-OE2 2.76Å; K283-E287 WeakPolarHBondContact O-CB 3.36Å; K283-E287 VanDerWaalsContact O-CG 3.3Å; K283-E287 WeakPolarHBondContact O-CG 3.16Å; K283-E287 PolarHBondContact O-N 3.09Å; S284-E287 PolarHBondContact O-N 3.3Å; E285-E287 PolarHBondContact O-N 3.09Å; E287-P291 WeakPolarHBondContact O-CD 3.28Å; E287-P291 WeakPolarHBondContact O-CG 3.39Å
288	T	79.8	Confident	79.4	Confident	79 Å²	79	61.9 Å²	61.9	49%	0.485	34%	0.342	S	S	.	.	H	α-helix	trans	-82	-37.7	175.9	-51.9	0	0	0	0	113	S284 E285 M286	S284-T288 PolarHBondContact O-N 3.38Å; S284-T288 VanDerWaalsContact O-N 3.1Å; S284-T288 PolarHBondContact O-OG1 3.18Å; E285-T288 WeakPolarHBondContact O-CB 2.97Å; E285-T288 PolarHBondContact O-N 2.84Å; E285-T288 VanDerWaalsContact O-N 3.1Å; M286-T288 PolarHBondContact O-N 3.31Å
289	I	81	Confident	80.1	Confident	56 Å²	56	59.2 Å²	59.2	29%	0.287	32%	0.322	S	S	.	.	H	α-helix	trans	-84.9	-40.3	-174.5	-68	164.5	0	0	0	112.2	V281 E285 M286 L292 L293	V281-I289 HydrophobicContact CG1-CD1 4.26Å; E285-I289 HydrophobicContact CB-CD1 4.41Å; E285-I289 WeakPolarHBondContact O-CB 3.45Å; E285-I289 WeakPolarHBondContact O-CD1 3.47Å; E285-I289 VanDerWaalsContact O-CG1 3.24Å; E285-I289 WeakPolarHBondContact O-CG1 3.39Å; E285-I289 PolarHBondContact O-N 3.39Å; M286-I289 PolarHBondContact O-N 3.44Å; I289-L292 WeakPolarHBondContact O-CB 3.42Å; I289-L292 PolarHBondContact O-N 3.48Å; I289-L292 VanDerWaalsContact O-N 3.15Å; I289-L293 HydrophobicContact CG2-CD1 3.69Å; I289-L293 HydrophobicContact CG2-CG 4.06Å; I289-L293 PolarHBondContact O-N 3.14Å
290	L	81.2	Confident	80.7	Confident	50 Å²	50	56.3 Å²	56.3	26%	0.262	30%	0.298	S	S	.	.	H	α-helix	trans	-60.2	-36.6	-171.6	-173.8	141.1	0	0	0	114.1	L163 M286 L293 L294	L163-L290 HydrophobicContact CD1-CD1 3.46Å; L163-L290 VanDerWaalsContact CD1-CD1 3.46Å; L163-L290 HydrophobicContact CD1-CG 3.8Å; M286-L290 HydrophobicContact CE-CD1 4.2Å; M286-L290 WeakPolarHBondContact O-CB 3.47Å; M286-L290 PolarHBondContact O-N 3.3Å; L290-L293 PolarHBondContact O-N 2.98Å; L290-L294 HydrophobicContact CD2-CD1 3.61Å; L290-L294 HydrophobicContact CD2-CG 4.32Å; L290-L294 HydrophobicContact CG-CD1 4.4Å; L290-L294 WeakPolarHBondContact O-CG 3.43Å; L290-L294 PolarHBondContact O-N 2.95Å
291	P	83.9	Confident	81.3	Confident	66 Å²	66	55 Å²	55	43%	0.429	29%	0.292	S	S	.	.	H	α-helix	trans	-60.3	-45.1	172.6	-25.3	35.8	0	0	0	113.5	E287 L293 L294 E295	E287-P291 WeakPolarHBondContact O-CD 3.28Å; E287-P291 WeakPolarHBondContact O-CG 3.39Å; P291-L293 VanDerWaalsContact C-N 3.3Å; P291-L293 PolarHBondContact O-N 3.25Å; P291-L294 PolarHBondContact O-N 3.21Å; P291-E295 WeakPolarHBondContact O-CB 3.38Å; P291-E295 PolarHBondContact O-N 3.11Å
292	L	84.5	Confident	81.8	Confident	12 Å²	12	62.1 Å²	62.1	6%	0.063	32%	0.315	C	S	.	.	H	α-helix	trans	-61.3	-40.2	179.2	-65.4	170.5	0	0	0	111.6	K215 Y216 F219 I289 F296	K215-L292 HydrophobicContact CD-CD1 4.4Å; K215-L292 HydrophobicContact CD-CD2 4.01Å; K215-L292 HydrophobicContact CG-CD1 4.01Å; K215-L292 HydrophobicContact CG-CD2 4.17Å; Y216-L292 HydrophobicContact CD1-CD2 3.88Å; Y216-L292 HydrophobicContact CE1-CD2 3.38Å; F219-L292 HydrophobicContact CB-CD1 4.38Å; F219-L292 HydrophobicContact CD2-CB 4.03Å; F219-L292 HydrophobicContact CD2-CD1 3.97Å; F219-L292 HydrophobicContact CE2-CB 3.98Å; F219-L292 HydrophobicContact CG-CD1 4.44Å; I289-L292 WeakPolarHBondContact O-CB 3.42Å; I289-L292 PolarHBondContact O-N 3.48Å; I289-L292 VanDerWaalsContact O-N 3.15Å; L292-F296 VanDerWaalsContact O-CB 3.3Å; L292-F296 WeakPolarHBondContact O-CB 3.43Å; L292-F296 PolarHBondContact O-N 3.37Å
293	L	85.1	Confident	81.6	Confident	4 Å²	4	61.7 Å²	61.7	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-67.9	-44.9	178.5	-69.3	177.7	0	0	0	111.9	F219 M223 L272 L276 I289 L290 P291 E295 F296 F297	F219-L293 HydrophobicContact CE2-CD2 3.76Å; F219-L293 HydrophobicContact CE2-CG 4.46Å; F219-L293 HydrophobicContact CZ-CD2 4.07Å; M223-L293 HydrophobicContact CE-CD2 4.35Å; M223-L293 HydrophobicContact SD-CD2 4.44Å; L272-L293 HydrophobicContact CD2-CD1 3.94Å; L272-L293 HydrophobicContact CD2-CD2 3.44Å; L272-L293 VanDerWaalsContact CD2-CD2 3.44Å; L272-L293 HydrophobicContact CD2-CG 4.36Å; L276-L293 HydrophobicContact CD1-CD1 3.66Å; I289-L293 HydrophobicContact CG2-CD1 3.69Å; I289-L293 HydrophobicContact CG2-CG 4.06Å; I289-L293 PolarHBondContact O-N 3.14Å; L290-L293 PolarHBondContact O-N 2.98Å; P291-L293 VanDerWaalsContact C-N 3.3Å; P291-L293 PolarHBondContact O-N 3.25Å; L293-E295 VanDerWaalsContact C-N 3.31Å; L293-E295 PolarHBondContact O-N 2.91Å; L293-F296 PolarHBondContact O-N 3.24Å; L293-F297 HydrophobicContact CB-CD2 4.43Å; L293-F297 HydrophobicContact CB-CE2 3.85Å; L293-F297 HydrophobicContact CB-CZ 4.04Å; L293-F297 HydrophobicContact CD2-CZ 4.18Å; L293-F297 WeakPolarHBondContact O-CB 3.31Å; L293-F297 WeakPolarHBondContact O-CD2 3.35Å; L293-F297 WeakPolarHBondContact O-CG 3.4Å; L293-F297 PolarHBondContact O-N 3.3Å
294	L	83.3	Confident	81.4	Confident	67 Å²	67	57.9 Å²	57.9	35%	0.351	29%	0.29	S	S	.	.	H	α-helix	trans	-61.9	-39.7	177.1	-70.6	175.7	0	0	0	112.1	L290 P291 A298	L290-L294 HydrophobicContact CD2-CD1 3.61Å; L290-L294 HydrophobicContact CD2-CG 4.32Å; L290-L294 HydrophobicContact CG-CD1 4.4Å; L290-L294 WeakPolarHBondContact O-CG 3.43Å; L290-L294 PolarHBondContact O-N 2.95Å; P291-L294 PolarHBondContact O-N 3.21Å; L294-A298 WeakPolarHBondContact O-CB 3.32Å; L294-A298 PolarHBondContact O-N 3.21Å
295	E	85.6	Confident	81	Confident	66 Å²	66	64.8 Å²	64.8	31%	0.308	30%	0.304	S	S	.	.	H	α-helix	trans	-63.9	-47.6	174.6	-164	-157.8	153.7	0	0	111.8	F201 Y216 P291 L293 F297 A298 F299	F201-E295 HydrophobicContact CE2-CB 4.45Å; F201-E295 HydrophobicContact CE2-CG 3.99Å; F201-E295 WeakPolarHBondContact CE2-OE1 3.48Å; F201-E295 HydrophobicContact CZ-CB 4.24Å; F201-E295 HydrophobicContact CZ-CG 4.14Å; Y216-E295 PolarHBondContact OH-OE2 3.15Å; P291-E295 WeakPolarHBondContact O-CB 3.38Å; P291-E295 PolarHBondContact O-N 3.11Å; L293-E295 VanDerWaalsContact C-N 3.31Å; L293-E295 PolarHBondContact O-N 2.91Å; E295-F297 PolarHBondContact O-N 2.96Å; E295-A298 WeakPolarHBondContact O-CB 3.3Å; E295-A298 PolarHBondContact O-N 2.9Å; E295-F299 PolarHBondContact O-N 3.14Å
296	F	87.7	Confident	80.3	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.5	-41.7	176.6	176.7	-119.3	0	0	0	112.5	L198 F201 F219 M223 L265 L292 L293 A298 F299 L300	L198-F296 HydrophobicContact CD2-CE1 4.19Å; L198-F296 HydrophobicContact CD2-CE2 3.66Å; L198-F296 HydrophobicContact CD2-CZ 3.47Å; L198-F296 VanDerWaalsContact CD2-CZ 3.47Å; L198-F296 HydrophobicContact CG-CZ 4.4Å; F201-F296 HydrophobicContact CB-CD2 4.14Å; F201-F296 HydrophobicContact CB-CE2 4.4Å; F201-F296 HydrophobicContact CD1-CB 4.28Å; F201-F296 AromaticContact CD1-CD2 3.66Å; F201-F296 HydrophobicContact CD1-CD2 3.66Å; F201-F296 HydrophobicContact CD1-CE2 4.48Å; F201-F296 HydrophobicContact CD1-CG 4.34Å; F201-F296 HydrophobicContact CD2-CD2 4.27Å; F201-F296 HydrophobicContact CE1-CB 3.87Å; F201-F296 HydrophobicContact CE1-CD2 4.13Å; F201-F296 HydrophobicContact CE1-CG 4.39Å; F201-F296 HydrophobicContact CE2-CB 4.36Å; F201-F296 AromaticContact CG-CD2 3.74Å; F201-F296 HydrophobicContact CG-CD2 3.74Å; F201-F296 HydrophobicContact CG-CE2 4.47Å; F201-F296 HydrophobicContact CZ-CB 3.92Å; F219-F296 HydrophobicContact CE1-CB 4.3Å; F219-F296 HydrophobicContact CE1-CG 4.25Å; F219-F296 HydrophobicContact CZ-CB 4.02Å; F219-F296 HydrophobicContact CZ-CD1 4.26Å; F219-F296 HydrophobicContact CZ-CG 4.13Å; M223-F296 HydrophobicContact CE-CD1 3.84Å; M223-F296 HydrophobicContact CE-CE1 3.57Å; M223-F296 HydrophobicContact CE-CZ 4.4Å; L265-F296 HydrophobicContact CD1-CZ 4.19Å; L265-F296 HydrophobicContact CD2-CZ 4.13Å; L265-F296 HydrophobicContact CG-CZ 4.27Å; L292-F296 VanDerWaalsContact O-CB 3.3Å; L292-F296 WeakPolarHBondContact O-CB 3.43Å; L292-F296 PolarHBondContact O-N 3.37Å; L293-F296 PolarHBondContact O-N 3.24Å; F296-A298 VanDerWaalsContact C-N 3.33Å; F296-A298 PolarHBondContact O-N 3.38Å; F296-F299 WeakPolarHBondContact O-CB 3.46Å; F296-F299 PolarHBondContact O-N 3.26Å; F296-L300 HydrophobicContact CD1-CD1 4.29Å; F296-L300 HydrophobicContact CE1-CD1 3.69Å; F296-L300 HydrophobicContact CE1-CG 4.28Å; F296-L300 HydrophobicContact CE2-CD1 4.34Å; F296-L300 HydrophobicContact CE2-CD2 4.17Å; F296-L300 HydrophobicContact CE2-CG 4.06Å; F296-L300 HydrophobicContact CZ-CD1 3.72Å; F296-L300 HydrophobicContact CZ-CD2 4.09Å; F296-L300 HydrophobicContact CZ-CG 3.94Å; F296-L300 PolarHBondContact O-N 3.23Å
297	F	85.7	Confident	79.4	Confident	1 Å²	1	61.4 Å²	61.4	0%	0.004	29%	0.289	C	S	.	.	H	α-helix	trans	-68	-32.4	175.9	-57.5	-29.8	0	0	0	112.2	L163 P165 L168 C269 L293 E295 K301	L163-F297 HydrophobicContact CD2-CE2 4.41Å; L163-F297 HydrophobicContact CG-CE2 4.18Å; L163-F297 WeakPolarHBondContact O-CD2 3.41Å; L163-F297 VanDerWaalsContact O-CE2 3.27Å; L163-F297 WeakPolarHBondContact O-CE2 3.17Å; P165-F297 HydrophobicContact CG-CB 4.39Å; L168-F297 HydrophobicContact CD1-CB 4.37Å; C269-F297 HydrophobicContact CB-CD1 4.05Å; C269-F297 HydrophobicContact CB-CE1 3.54Å; C269-F297 HydrophobicContact CB-CZ 4.29Å; C269-F297 VanDerWaalsContact SG-CE1 3.54Å; L293-F297 HydrophobicContact CB-CD2 4.43Å; L293-F297 HydrophobicContact CB-CE2 3.85Å; L293-F297 HydrophobicContact CB-CZ 4.04Å; L293-F297 HydrophobicContact CD2-CZ 4.18Å; L293-F297 WeakPolarHBondContact O-CB 3.31Å; L293-F297 WeakPolarHBondContact O-CD2 3.35Å; L293-F297 WeakPolarHBondContact O-CG 3.4Å; L293-F297 PolarHBondContact O-N 3.3Å; E295-F297 PolarHBondContact O-N 2.96Å; F297-K301 WeakPolarHBondContact O-CB 3.44Å; F297-K301 PolarHBondContact O-N 3.23Å
298	A	83.5	Confident	78.2	Confident	38 Å²	38	65.9 Å²	65.9	31%	0.314	30%	0.301	S	S	.	.	H	α-helix	trans	-67.6	-37.9	170.6	0	0	0	0	0	112.2	L294 E295 F296 R302	L294-A298 WeakPolarHBondContact O-CB 3.32Å; L294-A298 PolarHBondContact O-N 3.21Å; E295-A298 WeakPolarHBondContact O-CB 3.3Å; E295-A298 PolarHBondContact O-N 2.9Å; F296-A298 VanDerWaalsContact C-N 3.33Å; F296-A298 PolarHBondContact O-N 3.38Å; A298-R302 WeakPolarHBondContact O-CG 3.33Å; A298-R302 PolarHBondContact O-N 3.28Å
299	F	87.5	Confident	76.5	Confident	16 Å²	16	66.9 Å²	66.9	7%	0.07	31%	0.31	C	S	.	.	H	α-helix	trans	-63.5	-45.8	172	174.6	-90.8	0	0	0	112.2	I197 K200 F201 E295 F296 R302 K303	I197-F299 HydrophobicContact CG2-CE1 4.15Å; K200-F299 HydrophobicContact CB-CZ 4.42Å; K200-F299 WeakPolarHBondContact O-CE2 3.49Å; K200-F299 VanDerWaalsContact O-CZ 3.29Å; K200-F299 WeakPolarHBondContact O-CZ 3.38Å; F201-F299 HydrophobicContact CB-CD1 3.9Å; F201-F299 HydrophobicContact CB-CD2 4.44Å; F201-F299 HydrophobicContact CB-CE1 3.66Å; F201-F299 HydrophobicContact CB-CE2 4.22Å; F201-F299 HydrophobicContact CB-CG 4.26Å; F201-F299 HydrophobicContact CB-CZ 3.8Å; F201-F299 HydrophobicContact CD2-CB 3.8Å; F201-F299 HydrophobicContact CD2-CD1 4.15Å; F201-F299 AromaticContact CD2-CD2 3.94Å; F201-F299 HydrophobicContact CD2-CD2 3.94Å; F201-F299 HydrophobicContact CD2-CE2 4.44Å; F201-F299 AromaticContact CD2-CG 3.74Å; F201-F299 HydrophobicContact CD2-CG 3.74Å; F201-F299 HydrophobicContact CE2-CB 4.25Å; F201-F299 HydrophobicContact CG-CD1 4.36Å; F201-F299 HydrophobicContact CG-CG 4.39Å; E295-F299 PolarHBondContact O-N 3.14Å; F296-F299 WeakPolarHBondContact O-CB 3.46Å; F296-F299 PolarHBondContact O-N 3.26Å; F299-R302 PolarHBondContact O-N 3.17Å; F299-K303 HydrophobicContact CE1-CD 4.07Å; F299-K303 HydrophobicContact CZ-CD 4.18Å; F299-K303 PolarHBondContact O-N 3.17Å
300	L	85.4	Confident	74.8	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-60	-48.1	174.2	-71.4	-179.6	0	0	0	111.4	L168 I197 Y262 L265 C269 F296 R302 K303	L168-L300 HydrophobicContact CD1-CB 4.48Å; L168-L300 HydrophobicContact CD2-CB 4.33Å; I197-L300 HydrophobicContact CG2-CD2 3.81Å; Y262-L300 HydrophobicContact CD2-CD2 4.39Å; Y262-L300 HydrophobicContact CE2-CD2 3.92Å; Y262-L300 PolarHBondContact OH-O 3.01Å; L265-L300 HydrophobicContact CD2-CD2 4.01Å; C269-L300 WeakPolarHBondContact SG-CD1 3.26Å; F296-L300 HydrophobicContact CD1-CD1 4.29Å; F296-L300 HydrophobicContact CE1-CD1 3.69Å; F296-L300 HydrophobicContact CE1-CG 4.28Å; F296-L300 HydrophobicContact CE2-CD1 4.34Å; F296-L300 HydrophobicContact CE2-CD2 4.17Å; F296-L300 HydrophobicContact CE2-CG 4.06Å; F296-L300 HydrophobicContact CZ-CD1 3.72Å; F296-L300 HydrophobicContact CZ-CD2 4.09Å; F296-L300 HydrophobicContact CZ-CG 3.94Å; F296-L300 PolarHBondContact O-N 3.23Å; L300-R302 PolarHBondContact O-N 3.06Å; L300-R302 VanDerWaalsContact O-N 3.15Å; L300-K303 CarbonylContact O-C 3.54Å; L300-K303 WeakPolarHBondContact O-CA 3.4Å; L300-K303 PolarHBondContact O-N 3.11Å
301	K	81.9	Confident	72.8	Confident	113 Å²	113	66.4 Å²	66.4	49%	0.491	31%	0.314	S	S	.	.	H	α-helix	trans	-52.9	-39.3	178.5	-173.6	-176.8	-179	-178.4	0	112.6	P165 F297 K303	P165-K301 HydrophobicContact CB-CD 3.93Å; F297-K301 WeakPolarHBondContact O-CB 3.44Å; F297-K301 PolarHBondContact O-N 3.23Å; K301-K303 VanDerWaalsContact C-N 3.25Å; K301-K303 PolarHBondContact O-N 3.47Å
302	R	81.7	Confident	70.2	Confident	188 Å²	188	67.5 Å²	67.5	71%	0.709	33%	0.328	S	S	*	.	H	α-helix	trans	-65.9	-22.7	175.9	-70.9	172.2	176.8	141.4	-5.9	113.4	A298 F299 L300	A298-R302 WeakPolarHBondContact O-CG 3.33Å; A298-R302 PolarHBondContact O-N 3.28Å; F299-R302 PolarHBondContact O-N 3.17Å; L300-R302 PolarHBondContact O-N 3.06Å; L300-R302 VanDerWaalsContact O-N 3.15Å
303	K	75.7	Confident	67.4	Low	65 Å²	65	71.7 Å²	71.7	28%	0.283	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	14.6	-177.9	-68.1	-171.1	176.7	-178.7	0	115	Y262 F299 L300 K301 R305 L306	Y262-K303 HydrophobicContact CE2-CB 4.07Å; F299-K303 HydrophobicContact CE1-CD 4.07Å; F299-K303 HydrophobicContact CZ-CD 4.18Å; F299-K303 PolarHBondContact O-N 3.17Å; L300-K303 CarbonylContact O-C 3.54Å; L300-K303 WeakPolarHBondContact O-CA 3.4Å; L300-K303 PolarHBondContact O-N 3.11Å; K301-K303 VanDerWaalsContact C-N 3.25Å; K301-K303 PolarHBondContact O-N 3.47Å; K303-R305 PolarHBondContact O-N 2.98Å; K303-L306 HydrophobicContact CB-CD1 4.05Å; K303-L306 HydrophobicContact CB-CG 4.48Å; K303-L306 HydrophobicContact CD-CD1 4.33Å; K303-L306 PolarHBondContact O-N 3.03Å
304	K	69.1	Low	64.6	Low	72 Å²	72	76.6 Å²	76.6	31%	0.313	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-47.9	-25.3	178.3	-180	166	-178.7	168.5	0	115.2	G167 D170 V171 L306	G167-K304 PolarHBondContact O-NZ 2.88Å; D170-K304 IonicContact OD2-NZ 2.77Å; D170-K304 PolarHBondContact OD2-NZ 3.43Å; V171-K304 HydrophobicContact CG2-CD 3.71Å; V171-K304 HydrophobicContact CG2-CG 3.74Å; K304-L306 PolarHBondContact O-N 2.86Å
305	R	66.8	Low	62	Low	225 Å²	225	82.1 Å²	82.1	85%	0.849	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-57.5	-25.2	174.5	-73	-173.9	175.9	-178	-1.5	114.1	K303 L307 R308	K303-R305 PolarHBondContact O-N 2.98Å; R305-L307 VanDerWaalsContact C-N 3.29Å; R305-L307 PolarHBondContact O-N 3.28Å; R305-R308 PolarHBondContact O-N 2.93Å; R305-R308 VanDerWaalsContact O-N 3.11Å
306	L	63.3	Low	59.5	Low	46 Å²	46	85 Å²	85	24%	0.241	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-62	-26.5	-174.4	-71.6	176.3	0	0	0	114.9	P192 Y262 K303 K304 R308 C309	P192-L306 HydrophobicContact CG-CD1 3.98Å; P192-L306 HydrophobicContact CG-CD2 4.2Å; Y262-L306 HydrophobicContact CD2-CB 4.05Å; Y262-L306 HydrophobicContact CD2-CD1 3.7Å; Y262-L306 HydrophobicContact CD2-CG 4.47Å; Y262-L306 HydrophobicContact CE2-CD1 4.29Å; Y262-L306 HydrophobicContact CG-CB 4.05Å; Y262-L306 HydrophobicContact CG-CD1 4.4Å; K303-L306 HydrophobicContact CB-CD1 4.05Å; K303-L306 HydrophobicContact CB-CG 4.48Å; K303-L306 HydrophobicContact CD-CD1 4.33Å; K303-L306 PolarHBondContact O-N 3.03Å; K304-L306 PolarHBondContact O-N 2.86Å; L306-R308 VanDerWaalsContact C-N 3.29Å; L306-R308 PolarHBondContact O-N 2.95Å; L306-C309 PolarHBondContact O-N 2.91Å
307	L	58.3	Low	56.8	Low	12 Å²	12	93.5 Å²	93.5	6%	0.063	48%	0.478	C	S	.	.	G	3₁₀ helix	trans	-64.7	-31.8	174.6	-79.6	106.6	0	0	0	113.3	V171 D175 W178 Y262 A263 R305 C309 S310	V171-L307 HydrophobicContact CB-CD1 4.3Å; V171-L307 HydrophobicContact CG1-CD1 3.5Å; V171-L307 VanDerWaalsContact CG1-CD1 3.5Å; V171-L307 HydrophobicContact CG1-CD2 4.05Å; V171-L307 HydrophobicContact CG1-CG 4.42Å; V171-L307 HydrophobicContact CG2-CD1 3.92Å; D175-L307 HydrophobicContact CB-CD2 4.21Å; W178-L307 HydrophobicContact CH2-CB 4.41Å; W178-L307 HydrophobicContact CZ3-CB 4.13Å; W178-L307 HydrophobicContact CZ3-CD2 3.84Å; Y262-L307 HydrophobicContact CD1-CD1 3.44Å; Y262-L307 VanDerWaalsContact CD1-CD1 3.44Å; Y262-L307 HydrophobicContact CD1-CG 4.05Å; Y262-L307 HydrophobicContact CE1-CD1 3.33Å; Y262-L307 HydrophobicContact CE1-CG 4.41Å; A263-L307 HydrophobicContact CB-CD2 4.39Å; R305-L307 VanDerWaalsContact C-N 3.29Å; R305-L307 PolarHBondContact O-N 3.28Å; L307-C309 PolarHBondContact O-N 3.27Å; L307-S310 PolarHBondContact O-N 3.39Å; L307-S310 PolarHBondContact O-OG 3.22Å
308	R	51.9	Low	54.3	Low	207 Å²	207	95.4 Å²	95.4	78%	0.781	50%	0.497	S	S	*	.	H	α-helix	trans	-70.1	-15.8	-179.2	-68.7	-170.6	175.6	-168.4	-3.4	112.8	R305 L306 A312	R305-R308 PolarHBondContact O-N 2.93Å; R305-R308 VanDerWaalsContact O-N 3.11Å; L306-R308 VanDerWaalsContact C-N 3.29Å; L306-R308 PolarHBondContact O-N 2.95Å; R308-A312 WeakPolarHBondContact O-CB 3.41Å
309	C	43.6	Very low	51.8	Low	100 Å²	100	101.6 Å²	101.6	68%	0.676	52%	0.517	S	S	*	.	H	α-helix	trans	-81.4	-17.5	179.2	-63.3	0	0	0	0	113.7	L306 L307	L306-C309 PolarHBondContact O-N 2.91Å; L307-C309 PolarHBondContact O-N 3.27Å
310	S	44.2	Very low	49.3	Very low	45 Å²	45	103.4 Å²	103.4	32%	0.315	54%	0.536	S	S	.	.	H	α-helix	trans	-91.1	-32.7	-179.6	64	0	0	0	0	113.9	Y184 N187 L307	Y184-S310 WeakPolarHBondContact OH-CB 3.5Å; Y184-S310 PolarHBondContact OH-O 3.17Å; Y184-S310 PolarHBondContact OH-OG 3.3Å; N187-S310 PolarHBondContact ND2-O 3.25Å; L307-S310 PolarHBondContact O-N 3.39Å; L307-S310 PolarHBondContact O-OG 3.22Å
311	V	40.8	Very low	47.2	Very low	52 Å²	52	106.7 Å²	106.7	32%	0.315	56%	0.556	S	S	.	*	H	α-helix	trans	-87.2	-19.8	-171.1	-171.7	0	0	0	0	113	W178 Y184 C313	W178-V311 HydrophobicContact CD2-CG2 4.24Å; W178-V311 HydrophobicContact CE3-CG2 3.69Å; W178-V311 HydrophobicContact CH2-CG2 4.14Å; W178-V311 HydrophobicContact CZ3-CG2 3.64Å; Y184-V311 HydrophobicContact CD2-CG1 4.35Å; Y184-V311 HydrophobicContact CE1-CG2 4.17Å; Y184-V311 HydrophobicContact CE2-CB 4.28Å; Y184-V311 HydrophobicContact CE2-CG1 4.29Å; Y184-V311 HydrophobicContact CE2-CG2 4.12Å; V311-C313 PolarHBondContact O-N 2.92Å
312	A	28.8	Very low	45.2	Very low	88 Å²	88	104.1 Å²	104.1	73%	0.727	55%	0.547	S	S	*	.	S	Bend	trans	-81.6	32	-165	0	0	0	0	0	115.7	R308	R308-A312 WeakPolarHBondContact O-CB 3.41Å
313	C	25.5	Very low	43.4	Very low	101 Å²	101	101.8 Å²	101.8	68%	0.682	54%	0.542	S	S	*	.	S	Bend	trans	-147.9	128.5	179.9	-147.8	0	0	0	0	114.7	V311	V311-C313 PolarHBondContact O-N 2.92Å
314	S	26.2	Very low	42	Very low	106 Å²	106	103.2 Å²	103.2	74%	0.741	55%	0.552	S	S	*	*	S	Bend	trans	76.7	133.1	174.5	82.4	0	0	0	0	118.7
315	Q	29.4	Very low	40.6	Very low	183 Å²	183	105.5 Å²	105.5	86%	0.855	57%	0.565	S	S	*	*			trans	64.2	108.7	164.3	-48.1	-167.2	31.5	0	0	119.4
316	V	31.7	Very low	39.4	Very low	128 Å²	128	99.2 Å²	99.2	78%	0.776	55%	0.548	S	S	*	.	S	Bend		178.5	-32.1	126.7	144.5	0	0	0	0	112.4	G318 K319	V316-G318 VanDerWaalsContact C-N 3.26Å; V316-G318 PolarHBondContact O-N 3.2Å; V316-K319 PolarHBondContact O-N 3.41Å
317	E	32.4	Very low	38.6	Very low	178 Å²	178	100.2 Å²	100.2	83%	0.832	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-57.5	-25.9	-165.9	-63.1	-176.1	135.2	0	0	116	K319	E317-K319 VanDerWaalsContact C-N 3.35Å; E317-K319 PolarHBondContact O-N 3.16Å
318	G	31.8	Very low	38	Very low	40 Å²	40	106 Å²	106	41%	0.412	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-74.4	-8.1	-175.4	0	0	0	0	0	117.2	V316	V316-G318 VanDerWaalsContact C-N 3.26Å; V316-G318 PolarHBondContact O-N 3.2Å
319	K	31.5	Very low	37.2	Very low	168 Å²	168	101.6 Å²	101.6	73%	0.73	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-91.5	-26.6	178.7	-83.6	-177.9	178.7	172.6	0	114.2	V316 E317	V316-K319 PolarHBondContact O-N 3.41Å; E317-K319 VanDerWaalsContact C-N 3.35Å; E317-K319 PolarHBondContact O-N 3.16Å
320	A	35.5	Very low	37	Very low	55 Å²	55	100.1 Å²	100.1	46%	0.455	56%	0.564	S	S	.	*	H	α-helix	trans	-73.7	-46.5	-178.4	0	0	0	0	0	111.4	I322 K323 D324	A320-I322 PolarHBondContact O-N 3.01Å; A320-K323 WeakPolarHBondContact O-CB 3.45Å; A320-K323 PolarHBondContact O-N 3.24Å; A320-D324 PolarHBondContact O-N 2.98Å
321	T	41.8	Very low	36.7	Very low	69 Å²	69	105.1 Å²	105.1	42%	0.423	58%	0.58	S	S	.	*	H	α-helix	trans	-57.6	-41.5	-175.5	33.1	0	0	0	0	114.3	D324 M325	T321-D324 PolarHBondContact O-N 3.3Å; T321-M325 WeakPolarHBondContact O-CB 3.42Å; T321-M325 VanDerWaalsContact O-CG 3.26Å; T321-M325 WeakPolarHBondContact O-CG 3.23Å; T321-M325 PolarHBondContact O-N 2.94Å
322	I	40.2	Very low	36.5	Very low	59 Å²	59	108.8 Å²	108.8	30%	0.303	59%	0.594	S	S	.	*	H	α-helix	trans	-67.4	-39.3	177	-58	177.3	0	0	0	110.9	A320 L326 F374	A320-I322 PolarHBondContact O-N 3.01Å; I322-L326 HydrophobicContact CG2-CD1 4.27Å; I322-L326 WeakPolarHBondContact O-CG 3.42Å; I322-L326 PolarHBondContact O-N 3.1Å; I322-L326 VanDerWaalsContact O-N 3.09Å; I322-F374 HydrophobicContact CD1-CD2 3.77Å; I322-F374 HydrophobicContact CD1-CE2 3.9Å; I322-F374 HydrophobicContact CD1-CG 4.31Å; I322-F374 HydrophobicContact CG1-CD2 4.33Å; I322-F374 HydrophobicContact CG1-CE2 3.94Å; I322-F374 HydrophobicContact CG1-CZ 4.4Å
323	K	43.1	Very low	36.9	Very low	139 Å²	139	112.7 Å²	112.7	60%	0.604	60%	0.597	S	S	*	*	H	α-helix	trans	-65.3	-44	176.6	-171.5	-176.1	177.1	-175.8	0	111	A320 L326 I327	A320-K323 WeakPolarHBondContact O-CB 3.45Å; A320-K323 PolarHBondContact O-N 3.24Å; K323-L326 PolarHBondContact O-N 3.22Å; K323-I327 HydrophobicContact CD-CD1 4.39Å; K323-I327 HydrophobicContact CG-CD1 3.87Å; K323-I327 WeakPolarHBondContact O-CB 3.28Å; K323-I327 VanDerWaalsContact O-CG1 3.29Å; K323-I327 WeakPolarHBondContact O-CG1 3.29Å; K323-I327 PolarHBondContact O-N 3.38Å
324	D	46.4	Very low	37.2	Very low	95 Å²	95	113 Å²	113	51%	0.508	60%	0.596	S	S	.	*	H	α-helix	trans	-71.9	-31.2	179.8	-70	-20.1	0	0	0	112.6	A320 T321 I327 K328	A320-D324 PolarHBondContact O-N 2.98Å; T321-D324 PolarHBondContact O-N 3.3Å; D324-I327 PolarHBondContact O-N 2.91Å; D324-K328 WeakPolarHBondContact O-CB 3.34Å; D324-K328 WeakPolarHBondContact O-CG 3.44Å; D324-K328 PolarHBondContact O-N 3.18Å
325	M	39.5	Very low	37.2	Very low	119 Å²	119	113.3 Å²	113.3	59%	0.586	60%	0.596	S	S	*	*	H	α-helix	trans	-62.8	-48.2	169.2	-78.8	176.4	175.4	0	0	111.6	T321 I327 K328 L329	T321-M325 WeakPolarHBondContact O-CB 3.42Å; T321-M325 VanDerWaalsContact O-CG 3.26Å; T321-M325 WeakPolarHBondContact O-CG 3.23Å; T321-M325 PolarHBondContact O-N 2.94Å; M325-I327 VanDerWaalsContact C-N 3.34Å; M325-I327 PolarHBondContact O-N 3.44Å; M325-K328 PolarHBondContact O-N 3.28Å; M325-L329 WeakPolarHBondContact O-CG 3.46Å; M325-L329 PolarHBondContact O-N 3.28Å
326	L	40.8	Very low	37.1	Very low	94 Å²	94	108.6 Å²	108.6	49%	0.492	58%	0.584	S	S	.	*	H	α-helix	trans	-63.3	-39.3	176.7	-70.3	169.4	0	0	0	111.9	I322 K323 A330	I322-L326 HydrophobicContact CG2-CD1 4.27Å; I322-L326 WeakPolarHBondContact O-CG 3.42Å; I322-L326 PolarHBondContact O-N 3.1Å; I322-L326 VanDerWaalsContact O-N 3.09Å; K323-L326 PolarHBondContact O-N 3.22Å; L326-A330 VanDerWaalsContact O-CB 3.27Å; L326-A330 WeakPolarHBondContact O-CB 3.28Å; L326-A330 PolarHBondContact O-N 3.33Å
327	I	48.2	Very low	37	Very low	67 Å²	67	111.4 Å²	111.4	34%	0.344	59%	0.588	S	S	.	*	H	α-helix	trans	-70.5	-33.7	176.9	-71.4	172.1	0	0	0	112.3	K323 D324 M325 K331	K323-I327 HydrophobicContact CD-CD1 4.39Å; K323-I327 HydrophobicContact CG-CD1 3.87Å; K323-I327 WeakPolarHBondContact O-CB 3.28Å; K323-I327 VanDerWaalsContact O-CG1 3.29Å; K323-I327 WeakPolarHBondContact O-CG1 3.29Å; K323-I327 PolarHBondContact O-N 3.38Å; D324-I327 PolarHBondContact O-N 2.91Å; M325-I327 VanDerWaalsContact C-N 3.34Å; M325-I327 PolarHBondContact O-N 3.44Å; I327-K331 HydrophobicContact CG2-CD 4.06Å; I327-K331 WeakPolarHBondContact O-CB 3.26Å; I327-K331 VanDerWaalsContact O-CG 3.26Å; I327-K331 WeakPolarHBondContact O-CG 3.24Å; I327-K331 PolarHBondContact O-N 3.4Å
328	K	43.9	Very low	36.8	Very low	133 Å²	133	107.6 Å²	107.6	58%	0.578	59%	0.587	S	S	*	*	H	α-helix	trans	-66.5	-51.6	172.4	-86.4	-164.8	166.6	-150.6	0	111.7	D324 M325 A330 K331 E332	D324-K328 WeakPolarHBondContact O-CB 3.34Å; D324-K328 WeakPolarHBondContact O-CG 3.44Å; D324-K328 PolarHBondContact O-N 3.18Å; M325-K328 PolarHBondContact O-N 3.28Å; K328-A330 VanDerWaalsContact C-N 3.29Å; K328-A330 PolarHBondContact O-N 2.97Å; K328-K331 CarbonylContact O-C 3.58Å; K328-K331 WeakPolarHBondContact O-CA 3.29Å; K328-K331 PolarHBondContact O-N 3.42Å; K328-E332 WeakPolarHBondContact O-CG 3.4Å; K328-E332 PolarHBondContact O-N 3.29Å
329	L	36.3	Very low	36.8	Very low	115 Å²	115	111.7 Å²	111.7	60%	0.602	60%	0.598	S	S	*	*	H	α-helix	trans	-57.1	-43.5	178.5	-70.2	167.2	0	0	0	111.3	M325 K331 E332	M325-L329 WeakPolarHBondContact O-CG 3.46Å; M325-L329 PolarHBondContact O-N 3.28Å; L329-K331 PolarHBondContact O-N 3Å; L329-E332 PolarHBondContact O-N 2.83Å
330	A	39.1	Very low	36.6	Very low	68 Å²	68	112.3 Å²	112.3	56%	0.562	60%	0.601	S	S	*	*	H	α-helix	trans	-68.2	-11.8	175.5	0	0	0	0	0	115	L326 K328	L326-A330 VanDerWaalsContact O-CB 3.27Å; L326-A330 WeakPolarHBondContact O-CB 3.28Å; L326-A330 PolarHBondContact O-N 3.33Å; K328-A330 VanDerWaalsContact C-N 3.29Å; K328-A330 PolarHBondContact O-N 2.97Å
331	K	37.7	Very low	36.1	Very low	150 Å²	150	112.3 Å²	112.3	65%	0.652	61%	0.607	S	S	*	*	H	α-helix	trans	-107.2	-20	177.5	-76.4	-179.3	175.7	-173	0	114	I327 K328 L329	I327-K331 HydrophobicContact CG2-CD 4.06Å; I327-K331 WeakPolarHBondContact O-CB 3.26Å; I327-K331 VanDerWaalsContact O-CG 3.26Å; I327-K331 WeakPolarHBondContact O-CG 3.24Å; I327-K331 PolarHBondContact O-N 3.4Å; K328-K331 CarbonylContact O-C 3.58Å; K328-K331 WeakPolarHBondContact O-CA 3.29Å; K328-K331 PolarHBondContact O-N 3.42Å; L329-K331 PolarHBondContact O-N 3Å
332	E	37.9	Very low	35.4	Very low	130 Å²	130	114.6 Å²	114.6	61%	0.607	63%	0.626	S	S	*	*	H	α-helix	trans	-85.8	-17	-178	-73.7	171	-169.7	0	0	112.7	K328 L329	K328-E332 WeakPolarHBondContact O-CG 3.4Å; K328-E332 PolarHBondContact O-N 3.29Å; L329-E332 PolarHBondContact O-N 2.83Å
333	E	36.8	Very low	34.8	Very low	169 Å²	169	117 Å²	117	79%	0.79	65%	0.648	S	S	*	*	S	Bend	trans	-102.7	-3.3	174.5	-67.8	-161.2	137	0	0	115.5
334	V	32	Very low	33.9	Very low	108 Å²	108	118 Å²	118	66%	0.655	65%	0.653	S	S	*	*			trans	-105.4	70.2	-179	-169.4	0	0	0	0	111.4
335	C	26.1	Very low	33	Very low	112 Å²	112	119.3 Å²	119.3	76%	0.757	66%	0.664	S	S	*	*			trans	-132.3	56.3	-177.8	-84.3	0	0	0	0	114.1
336	S	26.8	Very low	32.4	Very low	84 Å²	84	119.8 Å²	119.8	59%	0.587	67%	0.673	S	S	*	*			trans	-163.6	62.9	166.6	51.9	0	0	0	0	114.5	A338	S336-A338 PolarHBondContact O-N 3.48Å
337	E	28.4	Very low	31.8	Very low	187 Å²	187	121.1 Å²	121.1	87%	0.874	68%	0.68	S	S	*	*			trans	-72.7	70.1	168	-70.7	-168.5	149.3	0	0	111.9
338	A	28.4	Very low	30.8	Very low	98 Å²	98	120.3 Å²	120.3	81%	0.81	68%	0.68	S	S	*	*	S	Bend	trans	-133.1	9.8	173.4	0	0	0	0	0	112.4	S336	S336-A338 PolarHBondContact O-N 3.48Å
339	I	32	Very low	30.4	Very low	126 Å²	126	119 Å²	119	65%	0.646	69%	0.686	S	S	*	*	S	Bend	trans	-121.5	-19.5	-167.2	-60.1	178.8	0	0	0	112.4	G341	I339-G341 PolarHBondContact O-N 2.95Å
340	F	27.2	Very low	30.4	Very low	181 Å²	181	119.9 Å²	119.9	79%	0.794	69%	0.691	S	S	*	*			trans	-87.4	75.2	-178	-71.3	-73.7	0	0	0	112.7
341	G	25.4	Very low	30.2	Very low	55 Å²	55	121.8 Å²	121.8	57%	0.567	69%	0.691	S	S	*	*	S	Bend	trans	-148.8	103.6	172.2	0	0	0	0	0	111.4	I339	I339-G341 PolarHBondContact O-N 2.95Å
342	S	27.5	Very low	30.2	Very low	118 Å²	118	121.3 Å²	121.3	83%	0.825	70%	0.695	S	S	*	*	S	Bend	trans	66	159.4	-175.9	76.8	0	0	0	0	116.5
343	S	27.1	Very low	30.3	Very low	110 Å²	110	117.3 Å²	117.3	77%	0.769	68%	0.681	S	S	*	*			trans	54.1	73.8	174.6	-64.8	0	0	0	0	117.9	V345	S343-V345 VanDerWaalsContact C-N 3.32Å; S343-V345 PolarHBondContact O-N 3.44Å
344	F	25	Very low	30.9	Very low	159 Å²	159	119.4 Å²	119.4	70%	0.697	68%	0.682	S	S	*	*			trans	-96.3	55.1	157.2	-154.5	-93.4	0	0	0	111.8	L347	F344-L347 HydrophobicContact CE1-CD1 4.22Å; F344-L347 HydrophobicContact CE2-CD1 4.11Å; F344-L347 HydrophobicContact CE2-CG 4.47Å; F344-L347 HydrophobicContact CZ-CD1 3.52Å; F344-L347 HydrophobicContact CZ-CG 4.21Å
345	V	27.5	Very low	31.8	Very low	123 Å²	123	117.6 Å²	117.6	75%	0.745	67%	0.674	S	S	*	*			trans	-130.8	145.7	164.9	-177.3	0	0	0	0	106.1	S343	S343-V345 VanDerWaalsContact C-N 3.32Å; S343-V345 PolarHBondContact O-N 3.44Å
346	V	26.9	Very low	32.8	Very low	129 Å²	129	118.9 Å²	118.9	78%	0.782	66%	0.664	S	S	*	*			trans	70.7	57.8	-170.4	-158.4	0	0	0	0	114.3	S348	V346-S348 PolarHBondContact O-N 3.02Å
347	L	27.6	Very low	34.2	Very low	122 Å²	122	118.2 Å²	118.2	64%	0.639	66%	0.656	S	S	*	*			trans	-74.5	100.8	142.9	-83.4	-178.6	0	0	0	108.2	F344	F344-L347 HydrophobicContact CE1-CD1 4.22Å; F344-L347 HydrophobicContact CE2-CD1 4.11Å; F344-L347 HydrophobicContact CE2-CG 4.47Å; F344-L347 HydrophobicContact CZ-CD1 3.52Å; F344-L347 HydrophobicContact CZ-CG 4.21Å
348	S	27	Very low	35.9	Very low	49 Å²	49	112.8 Å²	112.8	34%	0.343	63%	0.633	S	S	.	*			trans	-62.1	161.7	-179.5	68.5	0	0	0	0	113.4	V346 N350	V346-S348 PolarHBondContact O-N 3.02Å; S348-N350 PolarHBondContact O-N 3.17Å; S348-N350 PolarHBondContact OG-ND2 3.49Å; S348-N350 VanDerWaalsContact OG-ND2 3.07Å
349	P	34.8	Very low	37.4	Very low	107 Å²	107	114.2 Å²	114.2	70%	0.695	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-60.2	-3.6	176.9	-24.9	35.5	0	0	0	116.4	L351 L352	P349-L351 PolarHBondContact O-N 3.32Å; P349-L352 PolarHBondContact O-N 3.47Å
350	N	36.6	Very low	38.6	Very low	132 Å²	132	109.7 Å²	109.7	71%	0.706	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-69.3	-2.9	-172.6	-64	-32.9	0	0	0	114.9	S348 L352	S348-N350 PolarHBondContact O-N 3.17Å; S348-N350 PolarHBondContact OG-ND2 3.49Å; S348-N350 VanDerWaalsContact OG-ND2 3.07Å; N350-L352 PolarHBondContact O-N 2.89Å
351	L	36.4	Very low	40.5	Very low	108 Å²	108	105.3 Å²	105.3	57%	0.565	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-69.2	-11.2	172	-80.8	164.3	0	0	0	113.7	P349 S353	P349-L351 PolarHBondContact O-N 3.32Å; L351-S353 PolarHBondContact O-N 2.85Å
352	L	36.2	Very low	42.7	Very low	141 Å²	141	111.1 Å²	111.1	74%	0.738	59%	0.586	S	S	*	*			trans	-70.4	24.2	171.7	-69.5	168.7	0	0	0	114.2	P349 N350 R354	P349-L352 PolarHBondContact O-N 3.47Å; N350-L352 PolarHBondContact O-N 2.89Å; L352-R354 PolarHBondContact O-N 3.19Å
353	S	40.9	Very low	44.2	Very low	46 Å²	46	110.1 Å²	110.1	32%	0.322	57%	0.57	S	S	.	*			trans	-66.8	128.3	177.3	72.7	0	0	0	0	111.2	L351 S355 Y356	L351-S353 PolarHBondContact O-N 2.85Å; S353-S355 PolarHBondContact O-N 3.14Å; S353-S355 VanDerWaalsContact O-N 3.11Å; S353-Y356 PolarHBondContact O-N 2.84Å
354	R	48.3	Very low	46.1	Very low	213 Å²	213	106 Å²	106	80%	0.804	54%	0.539	S	S	*	.	H	α-helix	trans	-53.8	-34.9	-176.1	-152	173.7	-168.5	165.8	3	113.1	L352 Y356 V357 D358	L352-R354 PolarHBondContact O-N 3.19Å; R354-Y356 VanDerWaalsContact C-N 3.26Å; R354-Y356 PolarHBondContact O-N 3.01Å; R354-V357 PolarHBondContact O-N 2.71Å; R354-D358 PolarHBondContact O-N 2.78Å
355	S	51	Low	48.4	Very low	70 Å²	70	101.9 Å²	101.9	49%	0.49	52%	0.521	S	S	.	.	H	α-helix	trans	-65	-21.7	178.3	58.7	0	0	0	0	114.8	S353 K359	S353-S355 PolarHBondContact O-N 3.14Å; S353-S355 VanDerWaalsContact O-N 3.11Å; S355-K359 WeakPolarHBondContact O-CB 3.49Å; S355-K359 WeakPolarHBondContact O-CG 3.31Å; S355-K359 PolarHBondContact O-N 2.71Å
356	Y	47.1	Very low	50.5	Low	138 Å²	138	101.3 Å²	101.3	54%	0.541	51%	0.514	S	S	.	.	H	α-helix	trans	-75	-42	175.1	-119.6	-81.5	0	0	0	111.2	S353 R354 K359 T360	S353-Y356 PolarHBondContact O-N 2.84Å; R354-Y356 VanDerWaalsContact C-N 3.26Å; R354-Y356 PolarHBondContact O-N 3.01Å; Y356-K359 WeakPolarHBondContact O-CB 3.28Å; Y356-K359 PolarHBondContact O-N 2.77Å; Y356-T360 PolarHBondContact O-N 2.91Å; Y356-T360 PolarHBondContact O-OG1 2.85Å; Y356-T360 VanDerWaalsContact O-OG1 3.08Å
357	V	57.4	Low	52.2	Low	70 Å²	70	97.7 Å²	97.7	42%	0.424	49%	0.492	S	S	.	.	H	α-helix	trans	-62	-49	174.9	-176.2	0	0	0	0	110.2	R354 K359 T360 E361	R354-V357 PolarHBondContact O-N 2.71Å; V357-K359 PolarHBondContact O-N 3.32Å; V357-T360 PolarHBondContact O-N 2.82Å; V357-T360 VanDerWaalsContact O-N 3.11Å; V357-E361 WeakPolarHBondContact O-CB 3.36Å; V357-E361 PolarHBondContact O-N 3.42Å
358	D	63.7	Low	54.1	Low	73 Å²	73	96.3 Å²	96.3	39%	0.39	48%	0.478	S	S	.	.	H	α-helix	trans	-56.5	-35.1	176.5	-64	-5.6	0	0	0	112.6	R354 R362	R354-D358 PolarHBondContact O-N 2.78Å; D358-R362 WeakPolarHBondContact O-CD 3.31Å; D358-R362 VanDerWaalsContact O-CG 3.23Å; D358-R362 WeakPolarHBondContact O-CG 3.48Å; D358-R362 PolarHBondContact O-N 3.1Å
359	K	60.4	Low	56.3	Low	129 Å²	129	99.7 Å²	99.7	56%	0.561	49%	0.487	S	S	*	.	H	α-helix	trans	-70.7	-47.5	175.1	-84.2	-178.4	171.8	-162.8	0	111.8	S355 Y356 V357 E361 R362 M363	S355-K359 WeakPolarHBondContact O-CB 3.49Å; S355-K359 WeakPolarHBondContact O-CG 3.31Å; S355-K359 PolarHBondContact O-N 2.71Å; Y356-K359 WeakPolarHBondContact O-CB 3.28Å; Y356-K359 PolarHBondContact O-N 2.77Å; V357-K359 PolarHBondContact O-N 3.32Å; K359-E361 VanDerWaalsContact C-N 3.34Å; K359-E361 PolarHBondContact O-N 3.13Å; K359-R362 PolarHBondContact O-N 3.11Å; K359-M363 PolarHBondContact O-N 3.33Å
360	T	55.8	Low	57.7	Low	30 Å²	30	95.9 Å²	95.9	18%	0.184	47%	0.467	C	S	.	.	H	α-helix	trans	-63.8	-39.4	180	-53.7	0	0	0	0	111.5	Y356 V357 M363 M364 W387 I402	Y356-T360 PolarHBondContact O-N 2.91Å; Y356-T360 PolarHBondContact O-OG1 2.85Å; Y356-T360 VanDerWaalsContact O-OG1 3.08Å; V357-T360 PolarHBondContact O-N 2.82Å; V357-T360 VanDerWaalsContact O-N 3.11Å; T360-M363 WeakPolarHBondContact O-CB 3.02Å; T360-M363 PolarHBondContact O-N 3.04Å; T360-M364 WeakPolarHBondContact O-CG 3.22Å; T360-M364 PolarHBondContact O-N 3.26Å; T360-W387 HydrophobicContact CG2-CH2 3.81Å; T360-W387 HydrophobicContact CG2-CZ3 3.85Å; T360-I402 HydrophobicContact CG2-CD1 4.23Å
361	E	68.3	Low	59	Low	89 Å²	89	90.7 Å²	90.7	42%	0.416	44%	0.439	S	S	.	.	H	α-helix	trans	-65.2	-43	177.7	-168.3	166.6	-109.3	0	0	111.9	V357 K359 M363 M364 E365 W387	V357-E361 WeakPolarHBondContact O-CB 3.36Å; V357-E361 PolarHBondContact O-N 3.42Å; K359-E361 VanDerWaalsContact C-N 3.34Å; K359-E361 PolarHBondContact O-N 3.13Å; E361-M363 VanDerWaalsContact C-N 3.31Å; E361-M363 PolarHBondContact O-N 2.89Å; E361-M364 PolarHBondContact O-N 2.91Å; E361-E365 WeakPolarHBondContact O-CB 3.46Å; E361-E365 PolarHBondContact O-N 3.38Å; E361-W387 HydrophobicContact CB-CZ2 3.98Å; E361-W387 HydrophobicContact CG-CZ2 4.09Å
362	R	70.8	Confident	60.7	Low	178 Å²	178	88.4 Å²	88.4	67%	0.672	43%	0.432	S	S	*	.	H	α-helix	trans	-62	-36.2	171.6	-70.5	173.5	-163.9	-162.6	6.3	112.9	D358 K359 N366	D358-R362 WeakPolarHBondContact O-CD 3.31Å; D358-R362 VanDerWaalsContact O-CG 3.23Å; D358-R362 WeakPolarHBondContact O-CG 3.48Å; D358-R362 PolarHBondContact O-N 3.1Å; K359-R362 PolarHBondContact O-N 3.11Å; R362-N366 WeakPolarHBondContact O-CB 3.5Å; R362-N366 VanDerWaalsContact O-CG 3.3Å; R362-N366 PolarHBondContact O-N 3.36Å; R362-N366 PolarHBondContact O-ND2 3.03Å
363	M	60	Low	62.3	Low	97 Å²	97	86.1 Å²	86.1	48%	0.478	43%	0.428	S	S	.	.	H	α-helix	trans	-64.4	-47	175.1	178.3	-177.4	170.7	0	0	111	K359 T360 E361 E365 N366 V367 L406	K359-M363 PolarHBondContact O-N 3.33Å; T360-M363 WeakPolarHBondContact O-CB 3.02Å; T360-M363 PolarHBondContact O-N 3.04Å; E361-M363 VanDerWaalsContact C-N 3.31Å; E361-M363 PolarHBondContact O-N 2.89Å; M363-E365 PolarHBondContact O-N 2.92Å; M363-N366 PolarHBondContact O-N 3.37Å; M363-V367 WeakPolarHBondContact O-CG2 3.26Å; M363-V367 PolarHBondContact O-N 3.46Å; M363-L406 HydrophobicContact CE-CD2 4.46Å
364	M	65.6	Low	63.1	Low	24 Å²	24	88.9 Å²	88.9	12%	0.118	43%	0.434	C	S	.	.	H	α-helix	trans	-61.1	-43.5	177.1	-69.7	-68	-78.5	0	0	111.7	T360 E361 N366 V367 R368 L383 W387 F405	T360-M364 WeakPolarHBondContact O-CG 3.22Å; T360-M364 PolarHBondContact O-N 3.26Å; E361-M364 PolarHBondContact O-N 2.91Å; M364-N366 VanDerWaalsContact C-N 3.34Å; M364-N366 PolarHBondContact O-N 2.99Å; M364-V367 PolarHBondContact O-N 3.46Å; M364-R368 WeakPolarHBondContact O-CB 3.32Å; M364-R368 PolarHBondContact O-N 2.8Å; M364-L383 HydrophobicContact CE-CD2 3.81Å; M364-L383 HydrophobicContact CE-CG 3.76Å; M364-L383 HydrophobicContact SD-CD2 4.22Å; M364-W387 HydrophobicContact CE-CB 3.99Å; M364-W387 HydrophobicContact CE-CD2 4.18Å; M364-W387 HydrophobicContact CE-CE3 3.81Å; M364-W387 HydrophobicContact CE-CG 4.29Å; M364-W387 HydrophobicContact CG-CD2 4.27Å; M364-W387 HydrophobicContact CG-CE3 3.86Å; M364-W387 HydrophobicContact CG-CH2 4.36Å; M364-W387 HydrophobicContact CG-CZ3 3.91Å; M364-W387 HydrophobicContact SD-CE3 4.43Å; M364-F405 HydrophobicContact CE-CE1 4.18Å; M364-F405 HydrophobicContact CE-CZ 4.19Å; M364-F405 HydrophobicContact SD-CE1 4.05Å
365	E	74	Confident	63.4	Low	72 Å²	72	81.8 Å²	81.8	34%	0.336	43%	0.428	S	S	.	.	H	α-helix	trans	-65	-34.4	177.6	178.8	55.1	-161.5	0	0	113	E361 M363 R368 K369	E361-E365 WeakPolarHBondContact O-CB 3.46Å; E361-E365 PolarHBondContact O-N 3.38Å; M363-E365 PolarHBondContact O-N 2.92Å; E365-R368 WeakPolarHBondContact O-CB 3.49Å; E365-R368 WeakPolarHBondContact OE2-CD 3.28Å; E365-R368 IonicContact OE2-NE 3.83Å; E365-K369 WeakPolarHBondContact O-CB 3.34Å; E365-K369 WeakPolarHBondContact O-CG 3.25Å; E365-K369 PolarHBondContact O-N 2.89Å; E365-K369 WeakPolarHBondContact OE1-CE 3.48Å; E365-K369 IonicContact OE1-NZ 3.26Å; E365-K369 PolarHBondContact OE1-NZ 3.42Å
366	N	71.4	Confident	63.7	Low	111 Å²	111	83.5 Å²	83.5	59%	0.594	42%	0.423	S	S	*	.	H	α-helix	trans	-69.4	-40.2	172.8	-75.1	-26	0	0	0	112.1	R362 M363 M364 K369 G370	R362-N366 WeakPolarHBondContact O-CB 3.5Å; R362-N366 VanDerWaalsContact O-CG 3.3Å; R362-N366 PolarHBondContact O-N 3.36Å; R362-N366 PolarHBondContact O-ND2 3.03Å; M363-N366 PolarHBondContact O-N 3.37Å; M364-N366 VanDerWaalsContact C-N 3.34Å; M364-N366 PolarHBondContact O-N 2.99Å; N366-K369 PolarHBondContact O-N 2.82Å; N366-G370 PolarHBondContact O-N 2.9Å
367	V	62.6	Low	65.2	Low	52 Å²	52	84 Å²	84	32%	0.315	43%	0.43	S	S	.	.	H	α-helix	trans	-65.2	-41.5	174	173.7	0	0	0	0	111	M363 M364 G370 L371 L383	M363-V367 WeakPolarHBondContact O-CG2 3.26Å; M363-V367 PolarHBondContact O-N 3.46Å; M364-V367 PolarHBondContact O-N 3.46Å; V367-G370 PolarHBondContact O-N 2.7Å; V367-L371 HydrophobicContact CG1-CD1 4.03Å; V367-L371 HydrophobicContact CG1-CG 4.39Å; V367-L371 WeakPolarHBondContact O-CG 3.43Å; V367-L371 PolarHBondContact O-N 2.79Å; V367-L383 HydrophobicContact CB-CD2 4.25Å; V367-L383 HydrophobicContact CG1-CD1 4.32Å; V367-L383 HydrophobicContact CG1-CD2 3.86Å
368	R	67.6	Low	65.8	Low	93 Å²	93	84.8 Å²	84.8	35%	0.351	44%	0.444	S	S	.	.	H	α-helix	trans	-55.2	-54.6	173	-175	-158.5	-168.9	98	25.4	111.1	M364 E365 G370 L371 S372 D384	M364-R368 WeakPolarHBondContact O-CB 3.32Å; M364-R368 PolarHBondContact O-N 2.8Å; E365-R368 WeakPolarHBondContact O-CB 3.49Å; E365-R368 WeakPolarHBondContact OE2-CD 3.28Å; E365-R368 IonicContact OE2-NE 3.83Å; R368-G370 VanDerWaalsContact C-N 3.29Å; R368-G370 PolarHBondContact O-N 2.8Å; R368-L371 PolarHBondContact O-N 3.19Å; R368-S372 PolarHBondContact O-N 2.82Å; R368-S372 PolarHBondContact O-OG 2.9Å; R368-D384 IonicContact CZ-OD1 3.75Å; R368-D384 IonicContact CZ-OD2 3.58Å; R368-D384 IonicContact NH1-OD1 2.64Å; R368-D384 PolarHBondContact NH1-OD1 2.94Å; R368-D384 IonicContact NH1-OD2 3.44Å; R368-D384 IonicContact NH2-OD1 3.42Å; R368-D384 PolarHBondContact NH2-OD1 3.33Å; R368-D384 IonicContact NH2-OD2 3.71Å; R368-D384 PolarHBondContact NH2-OD2 3.33Å
369	K	74	Confident	65.7	Low	121 Å²	121	85.8 Å²	85.8	53%	0.526	45%	0.448	S	S	.	.	H	α-helix	trans	-57.4	-40.6	177.2	-77.5	-179.5	167.1	95.2	0	112.3	E365 N366 S373	E365-K369 WeakPolarHBondContact O-CB 3.34Å; E365-K369 WeakPolarHBondContact O-CG 3.25Å; E365-K369 PolarHBondContact O-N 2.89Å; E365-K369 WeakPolarHBondContact OE1-CE 3.48Å; E365-K369 IonicContact OE1-NZ 3.26Å; E365-K369 PolarHBondContact OE1-NZ 3.42Å; N366-K369 PolarHBondContact O-N 2.82Å; K369-S373 PolarHBondContact O-N 3.4Å; K369-S373 PolarHBondContact O-OG 3.14Å
370	G	63.8	Low	66.3	Low	26 Å²	26	79.9 Å²	79.9	27%	0.268	42%	0.424	S	S	.	.	H	α-helix	trans	-62.9	-48.4	174	0	0	0	0	0	113.3	N366 V367 R368 S372 S373 F374	N366-G370 PolarHBondContact O-N 2.9Å; V367-G370 PolarHBondContact O-N 2.7Å; R368-G370 VanDerWaalsContact C-N 3.29Å; R368-G370 PolarHBondContact O-N 2.8Å; G370-S372 VanDerWaalsContact C-N 3.31Å; G370-S372 PolarHBondContact O-N 3.4Å; G370-S373 PolarHBondContact O-N 3.11Å; G370-S373 PolarHBondContact O-OG 2.77Å; G370-F374 VanDerWaalsContact O-CD2 3.24Å; G370-F374 WeakPolarHBondContact O-CD2 3.32Å; G370-F374 PolarHBondContact O-N 2.99Å; G370-F374 VanDerWaalsContact O-N 3.1Å
371	L	63.1	Low	67.3	Low	24 Å²	24	85.4 Å²	85.4	13%	0.126	45%	0.445	C	S	.	.	H	α-helix	trans	-62	-38.9	178.5	-71.9	171.8	0	0	0	112.1	V367 R368 F374 G375 R376 M379 A380 L383	V367-L371 HydrophobicContact CG1-CD1 4.03Å; V367-L371 HydrophobicContact CG1-CG 4.39Å; V367-L371 WeakPolarHBondContact O-CG 3.43Å; V367-L371 PolarHBondContact O-N 2.79Å; R368-L371 PolarHBondContact O-N 3.19Å; L371-F374 PolarHBondContact O-N 2.86Å; L371-G375 PolarHBondContact O-N 2.63Å; L371-R376 HydrophobicContact CD2-CB 4.29Å; L371-R376 WeakPolarHBondContact O-CA 3.48Å; L371-R376 WeakPolarHBondContact O-CB 3.38Å; L371-R376 PolarHBondContact O-N 2.97Å; L371-M379 HydrophobicContact CD1-CB 4.44Å; L371-M379 HydrophobicContact CD2-CB 4.3Å; L371-M379 HydrophobicContact CD2-CG 4.28Å; L371-M379 HydrophobicContact CD2-SD 4.23Å; L371-A380 HydrophobicContact CB-CB 4.12Å; L371-L383 HydrophobicContact CD1-CD1 4.19Å
372	S	72.6	Confident	67.5	Low	59 Å²	59	87.4 Å²	87.4	41%	0.413	45%	0.452	S	S	.	.	H	α-helix	trans	-65.2	-44.3	174.1	-60.8	0	0	0	0	112.5	R368 G370 F374 G375	R368-S372 PolarHBondContact O-N 2.82Å; R368-S372 PolarHBondContact O-OG 2.9Å; G370-S372 VanDerWaalsContact C-N 3.31Å; G370-S372 PolarHBondContact O-N 3.4Å; S372-F374 PolarHBondContact O-N 3.23Å; S372-G375 PolarHBondContact O-N 3.27Å
373	S	70.8	Confident	67.4	Low	94 Å²	94	79.4 Å²	79.4	66%	0.657	42%	0.423	S	S	*	.	H	α-helix	trans	-66.5	-24.1	179.1	70.2	0	0	0	0	113.6	K369 G370	K369-S373 PolarHBondContact O-N 3.4Å; K369-S373 PolarHBondContact O-OG 3.14Å; G370-S373 PolarHBondContact O-N 3.11Å; G370-S373 PolarHBondContact O-OG 2.77Å
374	F	57.1	Low	68.1	Low	103 Å²	103	77 Å²	77	45%	0.452	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	12	171.3	-74.2	-66.7	0	0	0	114.4	I322 G370 L371 S372 R376	I322-F374 HydrophobicContact CD1-CD2 3.77Å; I322-F374 HydrophobicContact CD1-CE2 3.9Å; I322-F374 HydrophobicContact CD1-CG 4.31Å; I322-F374 HydrophobicContact CG1-CD2 4.33Å; I322-F374 HydrophobicContact CG1-CE2 3.94Å; I322-F374 HydrophobicContact CG1-CZ 4.4Å; G370-F374 VanDerWaalsContact O-CD2 3.24Å; G370-F374 WeakPolarHBondContact O-CD2 3.32Å; G370-F374 PolarHBondContact O-N 2.99Å; G370-F374 VanDerWaalsContact O-N 3.1Å; L371-F374 PolarHBondContact O-N 2.86Å; S372-F374 PolarHBondContact O-N 3.23Å; F374-R376 VanDerWaalsContact C-N 3.33Å; F374-R376 PolarHBondContact O-N 3.45Å
375	G	54.9	Low	68.6	Low	65 Å²	65	81.7 Å²	81.7	67%	0.67	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	27.1	175.9	0	0	0	0	0	114.4	L371 S372	L371-G375 PolarHBondContact O-N 2.63Å; S372-G375 PolarHBondContact O-N 3.27Å
376	R	57.7	Low	68	Low	106 Å²	106	81.2 Å²	81.2	40%	0.4	43%	0.432	S	S	.	.			trans	-107.5	48.4	-176.2	-65.6	-174.6	167.8	-140	-4.8	112.6	L371 F374 A378 M379 A380	L371-R376 HydrophobicContact CD2-CB 4.29Å; L371-R376 WeakPolarHBondContact O-CA 3.48Å; L371-R376 WeakPolarHBondContact O-CB 3.38Å; L371-R376 PolarHBondContact O-N 2.97Å; F374-R376 VanDerWaalsContact C-N 3.33Å; F374-R376 PolarHBondContact O-N 3.45Å; R376-A378 VanDerWaalsContact C-N 3.29Å; R376-A378 PolarHBondContact O-N 2.73Å; R376-M379 HydrophobicContact CB-CB 3.94Å; R376-M379 PolarHBondContact NH1-SD 3.41Å; R376-M379 WeakPolarHBondContact O-CA 3.27Å; R376-M379 VanDerWaalsContact O-CB 3.23Å; R376-M379 WeakPolarHBondContact O-CB 3.28Å; R376-M379 PolarHBondContact O-N 3.09Å; R376-A380 PolarHBondContact O-N 3.13Å
377	E	77.6	Confident	68.1	Low	147 Å²	147	77.3 Å²	77.3	69%	0.687	41%	0.41	S	S	*	.	H	α-helix	trans	-55.7	-38.7	-176.2	-62	-175.8	127.7	0	0	113.7	M379 A380 K381	E377-M379 PolarHBondContact O-N 3.43Å; E377-A380 PolarHBondContact O-N 2.95Å; E377-A380 VanDerWaalsContact O-N 3.15Å; E377-K381 PolarHBondContact O-N 3.43Å
378	A	70.3	Confident	68.7	Low	87 Å²	87	80 Å²	80	72%	0.719	42%	0.419	S	S	*	.	H	α-helix	trans	-62.6	-26.1	174.6	0	0	0	0	0	113.3	R376 K382	R376-A378 VanDerWaalsContact C-N 3.29Å; R376-A378 PolarHBondContact O-N 2.73Å; A378-K382 WeakPolarHBondContact O-CB 3.3Å; A378-K382 PolarHBondContact O-N 3.22Å
379	M	62	Low	68.6	Low	94 Å²	94	79.4 Å²	79.4	46%	0.463	43%	0.428	S	S	.	.	H	α-helix	trans	-84.7	-32.1	176.6	-146.8	162.8	-69.8	0	0	111.1	L371 R376 E377 L383	L371-M379 HydrophobicContact CD1-CB 4.44Å; L371-M379 HydrophobicContact CD2-CB 4.3Å; L371-M379 HydrophobicContact CD2-CG 4.28Å; L371-M379 HydrophobicContact CD2-SD 4.23Å; R376-M379 HydrophobicContact CB-CB 3.94Å; R376-M379 PolarHBondContact NH1-SD 3.41Å; R376-M379 WeakPolarHBondContact O-CA 3.27Å; R376-M379 VanDerWaalsContact O-CB 3.23Å; R376-M379 WeakPolarHBondContact O-CB 3.28Å; R376-M379 PolarHBondContact O-N 3.09Å; E377-M379 PolarHBondContact O-N 3.43Å; M379-L383 PolarHBondContact O-N 2.7Å; M379-L383 VanDerWaalsContact O-N 3.14Å
380	A	71.3	Confident	67.8	Low	6 Å²	6	74 Å²	74	5%	0.05	41%	0.405	C	S	.	.	H	α-helix	trans	-69	-46.5	171.5	0	0	0	0	0	111.9	L371 R376 E377 K382 L383 D384	L371-A380 HydrophobicContact CB-CB 4.12Å; R376-A380 PolarHBondContact O-N 3.13Å; E377-A380 PolarHBondContact O-N 2.95Å; E377-A380 VanDerWaalsContact O-N 3.15Å; A380-K382 VanDerWaalsContact C-N 3.29Å; A380-K382 PolarHBondContact O-N 2.77Å; A380-L383 WeakPolarHBondContact O-CA 3.43Å; A380-L383 WeakPolarHBondContact O-CB 3.25Å; A380-L383 PolarHBondContact O-N 3.2Å; A380-D384 PolarHBondContact O-N 3.25Å
381	K	78.2	Confident	67.8	Low	145 Å²	145	77.7 Å²	77.7	63%	0.63	42%	0.416	S	S	*	.	H	α-helix	trans	-56.4	-42.6	172.7	-83	-165.3	171	-169.5	0	112.5	E377 L383 D384 E385	E377-K381 PolarHBondContact O-N 3.43Å; K381-L383 PolarHBondContact O-N 3.12Å; K381-D384 WeakPolarHBondContact O-CB 3.42Å; K381-D384 PolarHBondContact O-N 3.5Å; K381-D384 VanDerWaalsContact O-N 3.11Å; K381-E385 WeakPolarHBondContact O-CG 3.48Å; K381-E385 PolarHBondContact O-N 3.12Å
382	K	71.8	Confident	68	Low	131 Å²	131	83.7 Å²	83.7	57%	0.57	44%	0.443	S	S	*	.	H	α-helix	trans	-70.2	-18.4	176.8	-163.5	159.3	-169.2	164.3	0	113.4	A378 A380 I386	A378-K382 WeakPolarHBondContact O-CB 3.3Å; A378-K382 PolarHBondContact O-N 3.22Å; A380-K382 VanDerWaalsContact C-N 3.29Å; A380-K382 PolarHBondContact O-N 2.77Å; K382-I386 HydrophobicContact CG-CD1 4.42Å; K382-I386 VanDerWaalsContact O-CD1 3.31Å; K382-I386 WeakPolarHBondContact O-CD1 3.47Å; K382-I386 VanDerWaalsContact O-CG1 3.28Å; K382-I386 WeakPolarHBondContact O-CG1 3.24Å
383	L	69.4	Low	67	Low	11 Å²	11	82.7 Å²	82.7	6%	0.058	44%	0.436	C	S	.	.	H	α-helix	trans	-73	-44.2	168.1	-144.5	88.9	0	0	0	110.4	M364 V367 L371 M379 A380 K381 I386 W387 F405	M364-L383 HydrophobicContact CE-CD2 3.81Å; M364-L383 HydrophobicContact CE-CG 3.76Å; M364-L383 HydrophobicContact SD-CD2 4.22Å; V367-L383 HydrophobicContact CB-CD2 4.25Å; V367-L383 HydrophobicContact CG1-CD1 4.32Å; V367-L383 HydrophobicContact CG1-CD2 3.86Å; L371-L383 HydrophobicContact CD1-CD1 4.19Å; M379-L383 PolarHBondContact O-N 2.7Å; M379-L383 VanDerWaalsContact O-N 3.14Å; A380-L383 WeakPolarHBondContact O-CA 3.43Å; A380-L383 WeakPolarHBondContact O-CB 3.25Å; A380-L383 PolarHBondContact O-N 3.2Å; K381-L383 PolarHBondContact O-N 3.12Å; L383-I386 PolarHBondContact O-N 3.4Å; L383-W387 WeakPolarHBondContact O-CB 3.47Å; L383-W387 PolarHBondContact O-N 3.31Å; L383-F405 HydrophobicContact CD1-CZ 3.75Å; L383-F405 HydrophobicContact CG-CZ 4.27Å
384	D	74.6	Confident	65.8	Low	45 Å²	45	81.8 Å²	81.8	24%	0.241	43%	0.434	C	S	.	.	H	α-helix	trans	-61.6	-48.9	176.8	-63	-27.7	0	0	0	112	R368 A380 K381 I386 W387 E388	R368-D384 IonicContact CZ-OD1 3.75Å; R368-D384 IonicContact CZ-OD2 3.58Å; R368-D384 IonicContact NH1-OD1 2.64Å; R368-D384 PolarHBondContact NH1-OD1 2.94Å; R368-D384 IonicContact NH1-OD2 3.44Å; R368-D384 IonicContact NH2-OD1 3.42Å; R368-D384 PolarHBondContact NH2-OD1 3.33Å; R368-D384 IonicContact NH2-OD2 3.71Å; R368-D384 PolarHBondContact NH2-OD2 3.33Å; A380-D384 PolarHBondContact O-N 3.25Å; K381-D384 WeakPolarHBondContact O-CB 3.42Å; K381-D384 PolarHBondContact O-N 3.5Å; K381-D384 VanDerWaalsContact O-N 3.11Å; D384-I386 PolarHBondContact O-N 3.07Å; D384-W387 PolarHBondContact O-N 3.1Å; D384-E388 PolarHBondContact O-N 3.36Å
385	E	75.5	Confident	65.5	Low	123 Å²	123	81.7 Å²	81.7	58%	0.575	45%	0.447	S	S	*	.	H	α-helix	trans	-53.9	-37.5	177.3	-72.4	165	-171.8	0	0	112.2	K381 S389	K381-E385 WeakPolarHBondContact O-CG 3.48Å; K381-E385 PolarHBondContact O-N 3.12Å; E385-S389 WeakPolarHBondContact O-CB 3.44Å; E385-S389 PolarHBondContact O-N 3.15Å
386	I	62	Low	65.4	Low	62 Å²	62	83.4 Å²	83.4	32%	0.318	45%	0.448	S	S	.	.	H	α-helix	trans	-81	-32	178.6	-65.4	170.9	0	0	0	111.4	K382 L383 D384 S389 L390 F405	K382-I386 HydrophobicContact CG-CD1 4.42Å; K382-I386 VanDerWaalsContact O-CD1 3.31Å; K382-I386 WeakPolarHBondContact O-CD1 3.47Å; K382-I386 VanDerWaalsContact O-CG1 3.28Å; K382-I386 WeakPolarHBondContact O-CG1 3.24Å; L383-I386 PolarHBondContact O-N 3.4Å; D384-I386 PolarHBondContact O-N 3.07Å; I386-S389 PolarHBondContact O-N 3.48Å; I386-L390 HydrophobicContact CG2-CD1 4.24Å; I386-L390 WeakPolarHBondContact O-CB 3.48Å; I386-L390 PolarHBondContact O-N 2.93Å; I386-F405 HydrophobicContact CB-CE2 4.28Å; I386-F405 HydrophobicContact CD1-CD2 4.32Å; I386-F405 HydrophobicContact CD1-CE2 3.93Å; I386-F405 HydrophobicContact CG2-CD2 3.77Å; I386-F405 HydrophobicContact CG2-CE2 3.73Å; I386-F405 HydrophobicContact CG2-CZ 4.48Å
387	W	74.1	Confident	65.3	Low	30 Å²	30	82.6 Å²	82.6	11%	0.114	45%	0.452	C	S	.	.	H	α-helix	trans	-69.7	-44.1	176.3	-173.2	-113.8	0	0	0	112.3	T360 E361 M364 L383 D384 S389 L390 Q391	T360-W387 HydrophobicContact CG2-CH2 3.81Å; T360-W387 HydrophobicContact CG2-CZ3 3.85Å; E361-W387 HydrophobicContact CB-CZ2 3.98Å; E361-W387 HydrophobicContact CG-CZ2 4.09Å; M364-W387 HydrophobicContact CE-CB 3.99Å; M364-W387 HydrophobicContact CE-CD2 4.18Å; M364-W387 HydrophobicContact CE-CE3 3.81Å; M364-W387 HydrophobicContact CE-CG 4.29Å; M364-W387 HydrophobicContact CG-CD2 4.27Å; M364-W387 HydrophobicContact CG-CE3 3.86Å; M364-W387 HydrophobicContact CG-CH2 4.36Å; M364-W387 HydrophobicContact CG-CZ3 3.91Å; M364-W387 HydrophobicContact SD-CE3 4.43Å; L383-W387 WeakPolarHBondContact O-CB 3.47Å; L383-W387 PolarHBondContact O-N 3.31Å; D384-W387 PolarHBondContact O-N 3.1Å; W387-S389 VanDerWaalsContact C-N 3.35Å; W387-S389 PolarHBondContact O-N 3.39Å; W387-L390 HydrophobicContact CE3-CD1 4.22Å; W387-L390 WeakPolarHBondContact O-CB 3.13Å; W387-L390 PolarHBondContact O-N 3.4Å; W387-L390 VanDerWaalsContact O-N 3.12Å; W387-Q391 PolarHBondContact O-N 2.92Å
388	E	74.9	Confident	64.1	Low	109 Å²	109	78.1 Å²	78.1	51%	0.509	43%	0.43	S	S	.	.	H	α-helix	trans	-53.8	-50.5	168.3	-83.4	-79.8	169.2	0	0	111	D384 L390 Q391 Q392	D384-E388 PolarHBondContact O-N 3.36Å; E388-L390 PolarHBondContact O-N 2.84Å; E388-Q391 PolarHBondContact O-N 3.23Å; E388-Q392 WeakPolarHBondContact O-CG 3.21Å; E388-Q392 PolarHBondContact O-N 3.08Å; E388-Q392 PolarHBondContact OE2-NE2 3.39Å
389	S	65.8	Low	63.2	Low	79 Å²	79	79 Å²	79	55%	0.552	43%	0.426	S	S	*	.	H	α-helix	trans	-63.6	-27.4	177.6	-173.2	0	0	0	0	113.7	E385 I386 W387	E385-S389 WeakPolarHBondContact O-CB 3.44Å; E385-S389 PolarHBondContact O-N 3.15Å; I386-S389 PolarHBondContact O-N 3.48Å; W387-S389 VanDerWaalsContact C-N 3.35Å; W387-S389 PolarHBondContact O-N 3.39Å
390	L	55.9	Low	62.7	Low	8 Å²	8	76.3 Å²	76.3	4%	0.042	42%	0.419	C	S	.	.	H	α-helix	trans	-75.3	-44.9	174.4	-94.9	163.1	0	0	0	111.5	I386 W387 E388 Q392 S393 F398 E401 I402	I386-L390 HydrophobicContact CG2-CD1 4.24Å; I386-L390 WeakPolarHBondContact O-CB 3.48Å; I386-L390 PolarHBondContact O-N 2.93Å; W387-L390 HydrophobicContact CE3-CD1 4.22Å; W387-L390 WeakPolarHBondContact O-CB 3.13Å; W387-L390 PolarHBondContact O-N 3.4Å; W387-L390 VanDerWaalsContact O-N 3.12Å; E388-L390 PolarHBondContact O-N 2.84Å; L390-Q392 PolarHBondContact O-N 3.49Å; L390-S393 WeakPolarHBondContact O-CB 3.47Å; L390-S393 PolarHBondContact O-N 2.95Å; L390-S393 PolarHBondContact O-OG 3.31Å; L390-F398 HydrophobicContact CB-CE2 4.35Å; L390-F398 HydrophobicContact CD2-CD2 3.88Å; L390-F398 HydrophobicContact CD2-CE2 4.1Å; L390-E401 HydrophobicContact CD2-CB 3.64Å; L390-I402 HydrophobicContact CD1-CG1 4.25Å; L390-I402 HydrophobicContact CD2-CG1 4.08Å
391	Q	64.1	Low	61.8	Low	104 Å²	104	79.3 Å²	79.3	49%	0.486	43%	0.432	S	S	.	.	H	α-helix	trans	-64	-29.3	177.9	-73.3	-172.7	-23.8	0	0	112.6	W387 E388 S393	W387-Q391 PolarHBondContact O-N 2.92Å; E388-Q391 PolarHBondContact O-N 3.23Å; Q391-S393 VanDerWaalsContact C-N 3.34Å
392	Q	66.7	Low	60.6	Low	149 Å²	149	74 Å²	74	70%	0.696	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-6.8	174.6	-64.1	175.1	32.5	0	0	113.8	E388 L390	E388-Q392 WeakPolarHBondContact O-CG 3.21Å; E388-Q392 PolarHBondContact O-N 3.08Å; E388-Q392 PolarHBondContact OE2-NE2 3.39Å; L390-Q392 PolarHBondContact O-N 3.49Å
393	S	52.3	Low	59.4	Low	39 Å²	39	71.4 Å²	71.4	27%	0.273	41%	0.405	S	S	.	.	S	Bend	trans	-86.3	137.4	-175.5	76	0	0	0	0	113.3	L390 Q391	L390-S393 WeakPolarHBondContact O-CB 3.47Å; L390-S393 PolarHBondContact O-N 2.95Å; L390-S393 PolarHBondContact O-OG 3.31Å; Q391-S393 VanDerWaalsContact C-N 3.34Å
394	A	45.9	Very low	58.4	Low	74 Å²	74	76.6 Å²	76.6	61%	0.612	42%	0.424	S	S	*	.			trans	-64.4	145	-177.2	0	0	0	0	0	113	S396 N397	A394-S396 PolarHBondContact O-N 3.46Å; A394-N397 PolarHBondContact O-N 2.99Å; A394-N397 VanDerWaalsContact O-N 3.12Å
395	S	50.6	Low	57.3	Low	102 Å²	102	75.6 Å²	75.6	71%	0.713	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-11	-160.1	54.6	0	0	0	0	117.6
396	S	53	Low	55.8	Low	100 Å²	100	73.9 Å²	73.9	70%	0.699	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-25.4	176.1	54.7	0	0	0	0	114.1	A394	A394-S396 PolarHBondContact O-N 3.46Å
397	N	54.6	Low	55	Low	89 Å²	89	75.7 Å²	75.7	48%	0.476	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-15.1	-172.4	-80	-28	0	0	0	114.6	A394 T399 A400 E401	A394-N397 PolarHBondContact O-N 2.99Å; A394-N397 VanDerWaalsContact O-N 3.12Å; N397-T399 PolarHBondContact O-N 3.16Å; N397-A400 WeakPolarHBondContact O-CB 3.3Å; N397-A400 PolarHBondContact O-N 3.1Å; N397-E401 PolarHBondContact O-N 3.48Å
398	F	53.4	Low	53.8	Low	53 Å²	53	84 Å²	84	23%	0.232	45%	0.453	C	S	.	.	H	α-helix	trans	-51.1	-49.3	-171.1	-173.8	-105.1	0	0	0	113.6	L390 A400 E401 I402	L390-F398 HydrophobicContact CB-CE2 4.35Å; L390-F398 HydrophobicContact CD2-CD2 3.88Å; L390-F398 HydrophobicContact CD2-CE2 4.1Å; F398-A400 VanDerWaalsContact C-N 3.34Å; F398-A400 PolarHBondContact O-N 3.07Å; F398-E401 PolarHBondContact O-N 3.37Å; F398-I402 HydrophobicContact CD1-CD1 3.87Å; F398-I402 HydrophobicContact CE1-CD1 3.4Å; F398-I402 VanDerWaalsContact CE1-CD1 3.4Å; F398-I402 HydrophobicContact CE2-CD1 4.15Å; F398-I402 HydrophobicContact CG-CD1 4.43Å; F398-I402 HydrophobicContact CZ-CD1 3.57Å; F398-I402 WeakPolarHBondContact O-CG1 3.48Å; F398-I402 PolarHBondContact O-N 3.39Å
399	T	51.1	Low	52.5	Low	105 Å²	105	83.7 Å²	83.7	64%	0.644	45%	0.454	S	S	*	.	H	α-helix	trans	-64.5	-37.4	179.3	-35.3	0	0	0	0	112.3	N397 V403	N397-T399 PolarHBondContact O-N 3.16Å; T399-V403 WeakPolarHBondContact O-CG2 3.25Å; T399-V403 PolarHBondContact O-N 2.84Å
400	A	51.2	Low	51.1	Low	38 Å²	38	81.2 Å²	81.2	31%	0.314	44%	0.441	S	S	.	.	H	α-helix	trans	-72.2	-37.6	178.7	0	0	0	0	0	111.9	N397 F398 V403 R404	N397-A400 WeakPolarHBondContact O-CB 3.3Å; N397-A400 PolarHBondContact O-N 3.1Å; F398-A400 VanDerWaalsContact C-N 3.34Å; F398-A400 PolarHBondContact O-N 3.07Å; A400-V403 PolarHBondContact O-N 3.03Å; A400-R404 WeakPolarHBondContact O-CB 3.35Å; A400-R404 VanDerWaalsContact O-CG 3.24Å; A400-R404 WeakPolarHBondContact O-CG 3.38Å; A400-R404 PolarHBondContact O-N 3.38Å
401	E	52.6	Low	49.8	Very low	69 Å²	69	91 Å²	91	32%	0.322	48%	0.484	S	S	.	.	H	α-helix	trans	-65.8	-43.4	172.6	-79.1	-60.5	107.5	0	0	111.9	L390 N397 F398 V403 R404 F405	L390-E401 HydrophobicContact CD2-CB 3.64Å; N397-E401 PolarHBondContact O-N 3.48Å; F398-E401 PolarHBondContact O-N 3.37Å; E401-V403 PolarHBondContact O-N 3.23Å; E401-R404 PolarHBondContact O-N 3.44Å; E401-R404 WeakPolarHBondContact OE1-CD 3.36Å; E401-R404 IonicContact OE1-CZ 3.48Å; E401-R404 IonicContact OE1-NE 3.63Å; E401-R404 IonicContact OE1-NH1 2.71Å; E401-R404 PolarHBondContact OE1-NH1 3.49Å; E401-F405 VanDerWaalsContact O-CB 3.28Å; E401-F405 WeakPolarHBondContact O-CB 3.31Å; E401-F405 PolarHBondContact O-N 2.93Å
402	I	52.1	Low	48.1	Very low	33 Å²	33	92.8 Å²	92.8	17%	0.169	50%	0.496	C	S	.	.	H	α-helix	trans	-61.4	-43.2	174.9	-72.3	176.3	0	0	0	111.3	T360 L390 F398 F405 L406	T360-I402 HydrophobicContact CG2-CD1 4.23Å; L390-I402 HydrophobicContact CD1-CG1 4.25Å; L390-I402 HydrophobicContact CD2-CG1 4.08Å; F398-I402 HydrophobicContact CD1-CD1 3.87Å; F398-I402 HydrophobicContact CE1-CD1 3.4Å; F398-I402 VanDerWaalsContact CE1-CD1 3.4Å; F398-I402 HydrophobicContact CE2-CD1 4.15Å; F398-I402 HydrophobicContact CG-CD1 4.43Å; F398-I402 HydrophobicContact CZ-CD1 3.57Å; F398-I402 WeakPolarHBondContact O-CG1 3.48Å; F398-I402 PolarHBondContact O-N 3.39Å; I402-F405 WeakPolarHBondContact O-CB 3.36Å; I402-F405 PolarHBondContact O-N 3.4Å; I402-L406 HydrophobicContact CG2-CD1 3.97Å; I402-L406 HydrophobicContact CG2-CG 4.4Å; I402-L406 WeakPolarHBondContact O-CG 3.48Å; I402-L406 PolarHBondContact O-N 2.68Å
403	V	47.3	Very low	46.2	Very low	77 Å²	77	95 Å²	95	47%	0.467	51%	0.506	S	S	.	.	H	α-helix	trans	-63.4	-43.7	175.6	170	0	0	0	0	111.2	T399 A400 E401 F405 L406 L407	T399-V403 WeakPolarHBondContact O-CG2 3.25Å; T399-V403 PolarHBondContact O-N 2.84Å; A400-V403 PolarHBondContact O-N 3.03Å; E401-V403 PolarHBondContact O-N 3.23Å; V403-F405 VanDerWaalsContact C-N 3.31Å; V403-F405 PolarHBondContact O-N 3.1Å; V403-L406 PolarHBondContact O-N 3.06Å; V403-L407 HydrophobicContact CG1-CD1 3.8Å; V403-L407 HydrophobicContact CG1-CG 4.4Å; V403-L407 WeakPolarHBondContact O-CB 3.3Å; V403-L407 WeakPolarHBondContact O-CG 3.42Å; V403-L407 PolarHBondContact O-N 3.09Å
404	R	48.5	Very low	45.1	Very low	120 Å²	120	99 Å²	99	45%	0.453	53%	0.528	S	S	.	.	H	α-helix	trans	-61.6	-36.3	173.3	-72.1	168	-168.2	138.8	7.6	112.7	A400 E401 R408	A400-R404 WeakPolarHBondContact O-CB 3.35Å; A400-R404 VanDerWaalsContact O-CG 3.24Å; A400-R404 WeakPolarHBondContact O-CG 3.38Å; A400-R404 PolarHBondContact O-N 3.38Å; E401-R404 PolarHBondContact O-N 3.44Å; E401-R404 WeakPolarHBondContact OE1-CD 3.36Å; E401-R404 IonicContact OE1-CZ 3.48Å; E401-R404 IonicContact OE1-NE 3.63Å; E401-R404 IonicContact OE1-NH1 2.71Å; E401-R404 PolarHBondContact OE1-NH1 3.49Å; R404-R408 WeakPolarHBondContact O-CB 3.36Å; R404-R408 VanDerWaalsContact O-CG 3.26Å; R404-R408 WeakPolarHBondContact O-CG 3.01Å; R404-R408 PolarHBondContact O-N 3.2Å
405	F	50.9	Low	44.2	Very low	25 Å²	25	103.6 Å²	103.6	11%	0.11	54%	0.539	C	S	.	.	H	α-helix	trans	-68.6	-45.8	178.1	175.6	-112.2	0	0	0	111.6	M364 L383 I386 E401 I402 V403 R408 L409	M364-F405 HydrophobicContact CE-CE1 4.18Å; M364-F405 HydrophobicContact CE-CZ 4.19Å; M364-F405 HydrophobicContact SD-CE1 4.05Å; L383-F405 HydrophobicContact CD1-CZ 3.75Å; L383-F405 HydrophobicContact CG-CZ 4.27Å; I386-F405 HydrophobicContact CB-CE2 4.28Å; I386-F405 HydrophobicContact CD1-CD2 4.32Å; I386-F405 HydrophobicContact CD1-CE2 3.93Å; I386-F405 HydrophobicContact CG2-CD2 3.77Å; I386-F405 HydrophobicContact CG2-CE2 3.73Å; I386-F405 HydrophobicContact CG2-CZ 4.48Å; E401-F405 VanDerWaalsContact O-CB 3.28Å; E401-F405 WeakPolarHBondContact O-CB 3.31Å; E401-F405 PolarHBondContact O-N 2.93Å; I402-F405 WeakPolarHBondContact O-CB 3.36Å; I402-F405 PolarHBondContact O-N 3.4Å; V403-F405 VanDerWaalsContact C-N 3.31Å; V403-F405 PolarHBondContact O-N 3.1Å; F405-R408 PolarHBondContact O-N 2.73Å; F405-R408 VanDerWaalsContact O-N 3.13Å; F405-L409 HydrophobicContact CD1-CD1 4.07Å; F405-L409 HydrophobicContact CD2-CD1 4.44Å; F405-L409 HydrophobicContact CE1-CD1 3.6Å; F405-L409 HydrophobicContact CE2-CD1 4.02Å; F405-L409 HydrophobicContact CE2-CG 4.38Å; F405-L409 HydrophobicContact CG-CD1 4.48Å; F405-L409 HydrophobicContact CZ-CD1 3.59Å; F405-L409 HydrophobicContact CZ-CG 4.43Å; F405-L409 PolarHBondContact O-N 3.46Å
406	L	45.4	Very low	43	Very low	86 Å²	86	104.2 Å²	104.2	45%	0.45	54%	0.544	S	S	.	.	H	α-helix	trans	-62.9	-41.7	174.1	-67.9	171.7	0	0	0	111.7	M363 I402 V403 R408 L409 G410	M363-L406 HydrophobicContact CE-CD2 4.46Å; I402-L406 HydrophobicContact CG2-CD1 3.97Å; I402-L406 HydrophobicContact CG2-CG 4.4Å; I402-L406 WeakPolarHBondContact O-CG 3.48Å; I402-L406 PolarHBondContact O-N 2.68Å; V403-L406 PolarHBondContact O-N 3.06Å; L406-R408 VanDerWaalsContact C-N 3.28Å; L406-R408 PolarHBondContact O-N 2.93Å; L406-L409 PolarHBondContact O-N 3.09Å; L406-G410 PolarHBondContact O-N 2.81Å
407	L	44.8	Very low	41.8	Very low	100 Å²	100	106 Å²	106	52%	0.524	55%	0.55	S	S	.	*	H	α-helix	trans	-65.6	-25.1	173.1	-71	168.8	0	0	0	113.6	V403	V403-L407 HydrophobicContact CG1-CD1 3.8Å; V403-L407 HydrophobicContact CG1-CG 4.4Å; V403-L407 WeakPolarHBondContact O-CB 3.3Å; V403-L407 WeakPolarHBondContact O-CG 3.42Å; V403-L407 PolarHBondContact O-N 3.09Å
408	R	48.2	Very low	40.5	Very low	204 Å²	204	108.5 Å²	108.5	77%	0.77	56%	0.56	S	S	*	*	H	α-helix	trans	-81.7	-32.2	173	-79.9	172.6	175.1	171	0.7	113	R404 F405 L406	R404-R408 WeakPolarHBondContact O-CB 3.36Å; R404-R408 VanDerWaalsContact O-CG 3.26Å; R404-R408 WeakPolarHBondContact O-CG 3.01Å; R404-R408 PolarHBondContact O-N 3.2Å; F405-R408 PolarHBondContact O-N 2.73Å; F405-R408 VanDerWaalsContact O-N 3.13Å; L406-R408 VanDerWaalsContact C-N 3.28Å; L406-R408 PolarHBondContact O-N 2.93Å
409	L	49	Very low	39.3	Very low	103 Å²	103	116.1 Å²	116.1	54%	0.539	59%	0.587	S	S	.	*	H	α-helix	trans	-79.3	-42.9	177.8	-75.6	175.7	0	0	0	112.5	F405 L406	F405-L409 HydrophobicContact CD1-CD1 4.07Å; F405-L409 HydrophobicContact CD2-CD1 4.44Å; F405-L409 HydrophobicContact CE1-CD1 3.6Å; F405-L409 HydrophobicContact CE2-CD1 4.02Å; F405-L409 HydrophobicContact CE2-CG 4.38Å; F405-L409 HydrophobicContact CG-CD1 4.48Å; F405-L409 HydrophobicContact CZ-CD1 3.59Å; F405-L409 HydrophobicContact CZ-CG 4.43Å; F405-L409 PolarHBondContact O-N 3.46Å; L406-L409 PolarHBondContact O-N 3.09Å
410	G	34.9	Very low	38.2	Very low	27 Å²	27	116.1 Å²	116.1	28%	0.278	59%	0.589	S	S	.	*	S	Bend	trans	-97.8	110.4	177.2	0	0	0	0	0	111.6	L406 L412	L406-G410 PolarHBondContact O-N 2.81Å; G410-L412 VanDerWaalsContact C-N 3.25Å; G410-L412 PolarHBondContact O-N 3.11Å
411	K	29.6	Very low	36.9	Very low	215 Å²	215	122.7 Å²	122.7	94%	0.935	62%	0.618	S	S	*	*			trans	-64.9	87.9	163	-82.5	-162.3	171.2	-160.5	0	110
412	L	28.8	Very low	35.6	Very low	141 Å²	141	127.4 Å²	127.4	74%	0.738	64%	0.642	S	S	*	*			trans	-118.4	112.3	168.4	-84.8	163.8	0	0	0	107.8	G410 V414	G410-L412 VanDerWaalsContact C-N 3.25Å; G410-L412 PolarHBondContact O-N 3.11Å; L412-V414 PolarHBondContact O-N 2.74Å; L412-V414 VanDerWaalsContact O-N 3.08Å
413	E	25.9	Very low	34.3	Very low	196 Å²	196	130.8 Å²	130.8	92%	0.916	67%	0.668	S	S	*	*			trans	-76.8	92.2	175	-69.3	171.3	164.4	0	0	108.9
414	V	29.6	Very low	33.3	Very low	121 Å²	121	135.4 Å²	135.4	73%	0.733	69%	0.689	S	S	*	*			trans	-81.1	116.8	162.7	-178.4	0	0	0	0	107	L412 S416	L412-V414 PolarHBondContact O-N 2.74Å; L412-V414 VanDerWaalsContact O-N 3.08Å; V414-S416 PolarHBondContact O-N 3.15Å
415	M	25.9	Very low	32.2	Very low	171 Å²	171	137.4 Å²	137.4	84%	0.842	71%	0.709	S	S	*	*			trans	-63.5	128.7	-177.8	-71.7	-173.9	65.8	0	0	111.2	T417	M415-T417 PolarHBondContact O-N 3.16Å
416	S	26.9	Very low	31	Very low	115 Å²	115	141.5 Å²	141.5	80%	0.804	74%	0.74	S	S	*	*			trans	-76.6	111.9	178.3	52.7	0	0	0	0	111.6	V414	V414-S416 PolarHBondContact O-N 3.15Å
417	T	27.4	Very low	30.1	Very low	137 Å²	137	142.6 Å²	142.6	84%	0.84	75%	0.752	S	S	*	*			trans	-105	91.1	164.4	54.3	0	0	0	0	110.3	M415	M415-T417 PolarHBondContact O-N 3.16Å
418	E	27.8	Very low	29.2	Very low	143 Å²	143	146.2 Å²	146.2	67%	0.668	77%	0.771	S	S	*	*			trans	-57	149.9	148.9	-73.2	-176.6	-144.9	0	0	108.8
419	R	27.6	Very low	28.1	Very low	212 Å²	212	143.8 Å²	143.8	80%	0.8	77%	0.772	S	S	*	*			cis	-148.9	-179.4	23.3	-123.3	156.6	-140.7	-141.5	2.2	110.2
420	P	27.5	Very low	27	Very low	106 Å²	106	143.8 Å²	143.8	69%	0.688	78%	0.778	S	S	*	*			trans	-87.4	160	-153.5	35.7	-39.3	0	0	0	116.2
421	L	24	Very low	26.5	Very low	176 Å²	176	151.7 Å²	151.7	92%	0.921	81%	0.805	S	S	*	*			trans	-62.9	139.6	159	-69	165.8	0	0	0	110.7
422	M	26.4	Very low	26.5	Very low	168 Å²	168	148.8 Å²	148.8	83%	0.828	80%	0.795	S	S	*	*			trans	-130.7	153.6	167.7	-97.4	-72.3	173.6	0	0	109.3
423	S	24.6	Very low	26.4	Very low	104 Å²	104	148.7 Å²	148.7	73%	0.727	80%	0.795	S	S	*	*			trans	48.2	81.8	172.1	58.8	0	0	0	0	117.5
424	L	26	Very low	26.5	Very low	174 Å²	174	144.7 Å²	144.7	91%	0.911	79%	0.789	S	S	*	*			trans	-128.1	59.2	144.8	-95	176.1	0	0	0	110.2	C426	L424-C426 PolarHBondContact O-N 2.95Å
425	N	25.5	Very low	26.4	Very low	161 Å²	161	147.7 Å²	147.7	86%	0.861	80%	0.795	S	S	*	*			trans	-80.1	85.2	166	-79.1	-2.7	0	0	0	108.8
426	C	25.1	Very low	26.5	Very low	112 Å²	112	147.1 Å²	147.1	76%	0.757	79%	0.794	S	S	*	*			trans	-82.8	120.3	163.4	-160.8	0	0	0	0	108.1	L424 L428	L424-C426 PolarHBondContact O-N 2.95Å; C426-L428 PolarHBondContact O-N 3.08Å
427	P	27.5	Very low	26.5	Very low	108 Å²	108	146.7 Å²	146.7	70%	0.701	79%	0.791	S	S	*	*			trans	-66.4	123.6	-176.2	-21.7	33.9	0	0	0	112.3	L429	P427-L429 PolarHBondContact O-N 2.97Å
428	L	24.1	Very low	26.5	Very low	176 Å²	176	145.4 Å²	145.4	92%	0.921	79%	0.788	S	S	*	*			trans	-68.9	110.8	158.9	-74.8	164.7	0	0	0	108	C426	C426-L428 PolarHBondContact O-N 3.08Å
429	L	26.4	Very low	26.6	Very low	154 Å²	154	145.7 Å²	145.7	81%	0.806	79%	0.792	S	S	*	*			trans	-109.3	151.1	161.8	-75.2	173.7	0	0	0	109.8	P427	P427-L429 PolarHBondContact O-N 2.97Å
430	P	26.3	Very low	26.7	Very low	102 Å²	102	145.8 Å²	145.8	66%	0.662	80%	0.799	S	S	*	*			trans	-88.5	174.2	-147	-13.2	32.1	0	0	0	114.5
431	K	24.1	Very low	26.8	Very low	193 Å²	193	148.3 Å²	148.3	84%	0.839	81%	0.807	S	S	*	*			trans	-73.8	128.2	157.2	-60.1	177.8	178.1	-175.5	0	108.5
432	E	28.2	Very low	27.2	Very low	154 Å²	154	147.1 Å²	147.1	72%	0.72	80%	0.801	S	S	*	*			trans	-113.2	83.3	167.5	-71.4	-176.7	174.4	0	0	109.3
433	D	28.1	Very low	27.3	Very low	139 Å²	139	144 Å²	144	74%	0.743	80%	0.796	S	S	*	*			trans	-87.1	120.5	155.2	-74.5	-60.3	0	0	0	107.3
434	S	28.1	Very low	27.6	Very low	113 Å²	113	147.1 Å²	147.1	79%	0.79	80%	0.803	S	S	*	*	S	Bend	trans	63.3	146.1	174.9	55.3	0	0	0	0	118.9
435	E	27.1	Very low	27.7	Very low	184 Å²	184	144.2 Å²	144.2	86%	0.86	80%	0.797	S	S	*	*			trans	94	51.9	174.8	-56.4	-171.6	-176.1	0	0	119.3
436	L	28.4	Very low	28.1	Very low	159 Å²	159	143.1 Å²	143.1	83%	0.832	80%	0.796	S	S	*	*			trans	-126.7	77	154.5	-77.1	177.8	0	0	0	112.1
437	S	26.2	Very low	28.2	Very low	106 Å²	106	145.8 Å²	145.8	74%	0.741	80%	0.797	S	S	*	*			trans	-134.8	147.8	158.6	64.3	0	0	0	0	108.9
438	S	28.4	Very low	28.5	Very low	109 Å²	109	146.5 Å²	146.5	76%	0.762	80%	0.802	S	S	*	*	S	Bend	trans	69.7	169.2	-155.5	83.9	0	0	0	0	114.2
439	I	28.9	Very low	28.6	Very low	150 Å²	150	148.4 Å²	148.4	77%	0.769	80%	0.797	S	S	*	*			trans	62.4	63.6	-169.9	-38.9	177.9	0	0	0	114.1
440	F	30.1	Very low	28.8	Very low	214 Å²	214	152.3 Å²	152.3	94%	0.939	80%	0.803	S	S	*	*			trans	-163	100.5	135.9	-94.7	-60.3	0	0	0	108.4
441	D	30.4	Very low	29.1	Very low	159 Å²	159	153.2 Å²	153.2	85%	0.85	81%	0.811	S	S	*	*			trans	-138.4	150.1	173.3	-128.5	-23.6	0	0	0	109.5
442	D	30.9	Very low	29.2	Very low	150 Å²	150	149.5 Å²	149.5	80%	0.802	81%	0.81	S	S	*	*			trans	61.8	136.4	174.7	-88.8	-35.8	0	0	0	122.9
443	S	28.8	Very low	29.2	Very low	104 Å²	104	153.2 Å²	153.2	73%	0.727	82%	0.817	S	S	*	*			trans	69.9	106.3	159.7	72.7	0	0	0	0	120.4
444	I	32	Very low	29.2	Very low	168 Å²	168	152.2 Å²	152.2	86%	0.862	82%	0.821	S	S	*	*				-169.1	135.3	101.2	-91.9	157	0	0	0	108.9
445	S	27.3	Very low	29.4	Very low	114 Å²	114	152 Å²	152	80%	0.797	81%	0.808	S	S	*	*			trans	-120.9	119.5	-172.5	58.4	0	0	0	0	113
446	V	32.9	Very low	29.8	Very low	137 Å²	137	146.2 Å²	146.2	83%	0.83	80%	0.797	S	S	*	*			trans	-145.3	119.3	161.8	-174.4	0	0	0	0	110.3
447	E	27	Very low	30.5	Very low	168 Å²	168	148 Å²	148	79%	0.785	79%	0.793	S	S	*	*			trans	-113	144.4	162.9	-73.9	-171.3	151.2	0	0	110.3
448	P	33.9	Very low	31.9	Very low	124 Å²	124	150.7 Å²	150.7	81%	0.805	79%	0.787	S	S	*	*			trans	-96.3	134.6	149.9	33.2	-25.3	0	0	0	110.9
449	R	26.2	Very low	33.3	Very low	215 Å²	215	155.2 Å²	155.2	81%	0.811	79%	0.793	S	S	*	*			trans	-83.8	-176.3	-178.4	-66.1	178.4	175.1	170.7	-1.9	112.9
450	Y	32.6	Very low	35.2	Very low	236 Å²	236	150.1 Å²	150.1	93%	0.925	77%	0.767	S	S	*	*			trans	91.2	124.2	-176.8	-56.9	-69.9	0	0	0	113.3
451	S	31.2	Very low	37.3	Very low	121 Å²	121	144.2 Å²	144.2	85%	0.846	75%	0.748	S	S	*	*			cis	-145.6	166	5.1	64.3	0	0	0	0	112.7
452	S	26.6	Very low	39.7	Very low	115 Å²	115	140.1 Å²	140.1	80%	0.804	72%	0.721	S	S	*	*			trans	-99	129.1	-164	56.1	0	0	0	0	115
453	R	28.6	Very low	42.1	Very low	232 Å²	232	133.6 Å²	133.6	88%	0.875	69%	0.686	S	S	*	*			trans	-161.9	106.4	147.2	-114.8	171	-173.7	-174	0.9	112.8
454	S	27.4	Very low	44.6	Very low	119 Å²	119	130.7 Å²	130.7	83%	0.832	67%	0.665	S	S	*	*			trans	29.4	89.8	152.4	59.1	0	0	0	0	118.3
455	E	33.2	Very low	47.1	Very low	109 Å²	109	123.3 Å²	123.3	51%	0.509	63%	0.628	S	S	.	*			trans	-119.4	120.6	158.1	-65.9	-145	93.2	0	0	110	R458 L494	E455-R458 IonicContact OE1-CZ 2.66Å; E455-R458 IonicContact OE1-NE 3.32Å; E455-R458 PolarHBondContact OE1-NE 3.42Å; E455-R458 IonicContact OE1-NH2 3.99Å; E455-R458 PolarHBondContact OE1-NH2 2.8Å; E455-L494 HydrophobicContact CB-CD1 4.39Å
456	G	35.8	Very low	49.9	Very low	62 Å²	62	117.9 Å²	117.9	64%	0.639	59%	0.59	S	S	*	*			trans	-86.4	153.6	167.8	0	0	0	0	0	110.6	R458	G456-R458 PolarHBondContact O-N 3.48Å
457	W	41.5	Very low	52.5	Low	195 Å²	195	114.1 Å²	114.1	74%	0.739	56%	0.563	S	S	*	*			trans	-44.6	109.5	178.4	-59.4	91	0	0	0	112.4	K459	W457-K459 PolarHBondContact O-N 2.76Å
458	R	55.3	Low	55.4	Low	163 Å²	163	106.9 Å²	106.9	62%	0.615	53%	0.53	S	S	*	.			trans	-84.3	114.3	177	-61.4	-169.6	-169.5	-158.8	8.3	109.3	E455 G456 M460	E455-R458 IonicContact OE1-CZ 2.66Å; E455-R458 IonicContact OE1-NE 3.32Å; E455-R458 PolarHBondContact OE1-NE 3.42Å; E455-R458 IonicContact OE1-NH2 3.99Å; E455-R458 PolarHBondContact OE1-NH2 2.8Å; G456-R458 PolarHBondContact O-N 3.48Å; R458-M460 PolarHBondContact O-N 3.08Å
459	K	57.8	Low	58	Low	204 Å²	204	101 Å²	101	89%	0.887	49%	0.492	S	S	*	.			trans	-72	114	163.8	-71.3	-172.7	175.7	-174.8	0	108.7	W457	W457-K459 PolarHBondContact O-N 2.76Å
460	M	69.1	Low	61	Low	44 Å²	44	90.9 Å²	90.9	22%	0.217	45%	0.454	C	S	.	.			trans	-79.9	145.6	167.1	-73.1	170.6	76.6	0	0	110.2	R458 S464 I465 D468 S480 I495	R458-M460 PolarHBondContact O-N 3.08Å; M460-S464 VanDerWaalsContact CE-O 3.32Å; M460-S464 WeakPolarHBondContact CE-O 3.42Å; M460-S464 WeakPolarHBondContact CE-OG 3.34Å; M460-I465 HydrophobicContact CB-CD1 4.31Å; M460-I465 HydrophobicContact CB-CG1 3.87Å; M460-I465 HydrophobicContact CE-CB 4.41Å; M460-I465 HydrophobicContact CE-CG1 3.83Å; M460-I465 HydrophobicContact SD-CG1 4.2Å; M460-D468 HydrophobicContact CE-CB 4.31Å; M460-D468 WeakPolarHBondContact CE-OD2 2.83Å; M460-S480 VanDerWaalsContact SD-CB 3.57Å; M460-I495 HydrophobicContact CG-CD1 4.39Å; M460-I495 HydrophobicContact CG-CG2 4.34Å; M460-I495 HydrophobicContact SD-CD1 3.61Å; M460-I495 HydrophobicContact SD-CG2 3.87Å
461	T	75.8	Confident	63.7	Low	90 Å²	90	81.6 Å²	81.6	55%	0.552	42%	0.42	S	S	*	.			trans	-71.6	155.2	163.8	59.4	0	0	0	0	109.7	Q463 S464 I465	T461-Q463 VanDerWaalsContact C-N 3.28Å; T461-Q463 PolarHBondContact O-N 3.27Å; T461-S464 WeakPolarHBondContact O-CB 3.29Å; T461-S464 PolarHBondContact O-N 3.45Å; T461-S464 WeakPolarHBondContact OG1-CB 3.35Å; T461-S464 PolarHBondContact OG1-N 2.99Å; T461-I465 PolarHBondContact O-N 3.09Å
462	Y	80.4	Confident	66.5	Low	73 Å²	73	75.9 Å²	75.9	29%	0.286	38%	0.38	S	S	.	.	H	α-helix	trans	-54.3	-45	176.7	177.4	-87.6	0	0	0	111.6	S464 I465 V466 L579 F580	Y462-S464 VanDerWaalsContact C-N 3.3Å; Y462-S464 PolarHBondContact O-N 3.17Å; Y462-I465 WeakPolarHBondContact O-CB 3.47Å; Y462-I465 PolarHBondContact O-N 3.49Å; Y462-V466 HydrophobicContact CD1-CG2 3.92Å; Y462-V466 HydrophobicContact CE1-CG2 3.46Å; Y462-V466 VanDerWaalsContact CE1-CG2 3.46Å; Y462-V466 PolarHBondContact O-N 2.8Å; Y462-L579 WeakPolarHBondContact OH-CA 3.44Å; Y462-F580 HydrophobicContact CD2-CE2 4.26Å; Y462-F580 AromaticContact CE2-CD2 3.79Å; Y462-F580 HydrophobicContact CE2-CD2 3.79Å; Y462-F580 AromaticContact CE2-CE2 3.43Å; Y462-F580 HydrophobicContact CE2-CE2 3.43Å; Y462-F580 VanDerWaalsContact CE2-CE2 3.43Å; Y462-F580 HydrophobicContact CE2-CZ 4.4Å; Y462-F580 AromaticContact CZ-CD2 3.79Å; Y462-F580 AromaticContact CZ-CE2 3.69Å; Y462-F580 WeakPolarHBondContact OH-CD2 3.45Å; Y462-F580 PolarHBondContact OH-N 2.96Å; Y462-F580 VanDerWaalsContact OH-N 3.14Å
463	Q	80.5	Confident	69.5	Low	12 Å²	12	70.4 Å²	70.4	6%	0.056	34%	0.341	C	S	.	.	H	α-helix	trans	-63.4	-30.7	177.8	-62.6	-51.4	-30.7	0	0	113.8	T461 I465 V466 H467 W560 G577	T461-Q463 VanDerWaalsContact C-N 3.28Å; T461-Q463 PolarHBondContact O-N 3.27Å; Q463-I465 VanDerWaalsContact C-N 3.3Å; Q463-I465 PolarHBondContact O-N 2.97Å; Q463-V466 PolarHBondContact O-N 3.04Å; Q463-H467 PolarHBondContact O-N 2.94Å; Q463-W560 PolarHBondContact O-NE1 3.3Å; Q463-G577 PolarHBondContact NE2-O 2.95Å
464	S	81.9	Confident	72.4	Confident	43 Å²	43	61.4 Å²	61.4	30%	0.301	31%	0.309	S	S	.	.	H	α-helix	trans	-68.7	-29.5	172.5	-175.8	0	0	0	0	112.4	M460 T461 Y462 D468	M460-S464 VanDerWaalsContact CE-O 3.32Å; M460-S464 WeakPolarHBondContact CE-O 3.42Å; M460-S464 WeakPolarHBondContact CE-OG 3.34Å; T461-S464 WeakPolarHBondContact O-CB 3.29Å; T461-S464 PolarHBondContact O-N 3.45Å; T461-S464 WeakPolarHBondContact OG1-CB 3.35Å; T461-S464 PolarHBondContact OG1-N 2.99Å; Y462-S464 VanDerWaalsContact C-N 3.3Å; Y462-S464 PolarHBondContact O-N 3.17Å; S464-D468 PolarHBondContact O-N 2.92Å; S464-D468 VanDerWaalsContact O-N 3.11Å
465	I	84.1	Confident	75	Confident	14 Å²	14	57 Å²	57	7%	0.072	28%	0.283	C	S	.	.	H	α-helix	trans	-76.5	-35.6	175.3	-54.4	169.2	0	0	0	110.3	M460 T461 Y462 Q463 D468 C469 M481 M497 V501 L505 F580	M460-I465 HydrophobicContact CB-CD1 4.31Å; M460-I465 HydrophobicContact CB-CG1 3.87Å; M460-I465 HydrophobicContact CE-CB 4.41Å; M460-I465 HydrophobicContact CE-CG1 3.83Å; M460-I465 HydrophobicContact SD-CG1 4.2Å; T461-I465 PolarHBondContact O-N 3.09Å; Y462-I465 WeakPolarHBondContact O-CB 3.47Å; Y462-I465 PolarHBondContact O-N 3.49Å; Q463-I465 VanDerWaalsContact C-N 3.3Å; Q463-I465 PolarHBondContact O-N 2.97Å; I465-D468 PolarHBondContact O-N 2.77Å; I465-C469 WeakPolarHBondContact O-CB 3.24Å; I465-C469 PolarHBondContact O-N 3.44Å; I465-M481 HydrophobicContact CG2-CE 4.27Å; I465-M497 HydrophobicContact CB-CE 4.41Å; I465-M497 HydrophobicContact CD1-CE 4.01Å; I465-M497 HydrophobicContact CG1-CE 4.14Å; I465-M497 HydrophobicContact CG2-CE 3.37Å; I465-V501 HydrophobicContact CG2-CG1 4.18Å; I465-L505 HydrophobicContact CG2-CD1 3.9Å; I465-F580 HydrophobicContact CB-CZ 4.36Å; I465-F580 HydrophobicContact CG2-CZ 3.88Å
466	V	85.5	Confident	77.5	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.4	-44.1	173.4	177.5	0	0	0	0	110.9	Y462 Q463 C469 I470 L578 F580	Y462-V466 HydrophobicContact CD1-CG2 3.92Å; Y462-V466 HydrophobicContact CE1-CG2 3.46Å; Y462-V466 VanDerWaalsContact CE1-CG2 3.46Å; Y462-V466 PolarHBondContact O-N 2.8Å; Q463-V466 PolarHBondContact O-N 3.04Å; V466-C469 WeakPolarHBondContact O-CA 3.37Å; V466-C469 VanDerWaalsContact O-CB 3.26Å; V466-C469 WeakPolarHBondContact O-CB 3.32Å; V466-C469 PolarHBondContact O-N 3.18Å; V466-C469 VanDerWaalsContact O-N 3.11Å; V466-I470 HydrophobicContact CG1-CD1 4.41Å; V466-I470 WeakPolarHBondContact O-CG1 3.09Å; V466-I470 PolarHBondContact O-N 3.27Å; V466-L578 HydrophobicContact CG1-CB 4.18Å; V466-L578 HydrophobicContact CG1-CD2 3.96Å; V466-L578 HydrophobicContact CG1-CG 4.27Å; V466-L578 WeakPolarHBondContact CG2-O 3.03Å; V466-F580 HydrophobicContact CG2-CE1 3.9Å; V466-F580 HydrophobicContact CG2-CE2 4.36Å; V466-F580 HydrophobicContact CG2-CZ 3.8Å
467	H	87.7	Confident	79.9	Confident	58 Å²	58	60.6 Å²	60.6	27%	0.269	28%	0.282	S	S	.	.	H	α-helix	trans	-58.2	-50.3	172.4	176.9	-94.7	0	0	0	112.5	Q463 C469 I470 L471 W560	Q463-H467 PolarHBondContact O-N 2.94Å; H467-C469 PolarHBondContact O-N 2.97Å; H467-I470 PolarHBondContact O-N 3.49Å; H467-L471 VanDerWaalsContact CE1-CD1 3.44Å; H467-L471 WeakPolarHBondContact CE1-CD1 3.46Å; H467-L471 PolarHBondContact O-N 2.82Å; H467-W560 HydrophobicContact CB-CD2 4.49Å; H467-W560 HydrophobicContact CB-CH2 4.18Å; H467-W560 HydrophobicContact CB-CZ2 3.64Å; H467-W560 AromaticContact CD2-CH2 3.46Å; H467-W560 VanDerWaalsContact CD2-CH2 3.46Å; H467-W560 WeakPolarHBondContact CD2-CH2 3.39Å; H467-W560 AromaticContact CD2-CZ2 3.87Å; H467-W560 AromaticContact CD2-CZ3 3.63Å
468	D	88.4	Confident	81.9	Confident	15 Å²	15	52.3 Å²	52.3	8%	0.08	25%	0.253	C	S	.	.	H	α-helix	trans	-62.7	-27.2	175.9	-81.9	17.3	0	0	0	112	M460 S464 I465 M472 T478 S480 M481	M460-D468 HydrophobicContact CE-CB 4.31Å; M460-D468 WeakPolarHBondContact CE-OD2 2.83Å; S464-D468 PolarHBondContact O-N 2.92Å; S464-D468 VanDerWaalsContact O-N 3.11Å; I465-D468 PolarHBondContact O-N 2.77Å; D468-M472 WeakPolarHBondContact O-CB 3.29Å; D468-M472 PolarHBondContact O-N 2.85Å; D468-T478 HydrophobicContact CB-CG2 3.98Å; D468-T478 WeakPolarHBondContact OD2-CB 3.24Å; D468-T478 PolarHBondContact OD2-OG1 3.15Å; D468-S480 WeakPolarHBondContact CB-OG 3.48Å; D468-S480 VanDerWaalsContact OD2-CB 3.29Å; D468-S480 WeakPolarHBondContact OD2-CB 3.45Å; D468-S480 PolarHBondContact OD2-N 2.85Å; D468-S480 PolarHBondContact OD2-OG 3.41Å; D468-M481 HydrophobicContact CB-CE 3.91Å
469	C	88.8	Confident	83.1	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.007	26%	0.259	C	S	.	.	H	α-helix	trans	-70	-39.7	171.6	-173	0	0	0	0	112.5	I465 V466 H467 M472 L473 L505 F580	I465-C469 WeakPolarHBondContact O-CB 3.24Å; I465-C469 PolarHBondContact O-N 3.44Å; V466-C469 WeakPolarHBondContact O-CA 3.37Å; V466-C469 VanDerWaalsContact O-CB 3.26Å; V466-C469 WeakPolarHBondContact O-CB 3.32Å; V466-C469 PolarHBondContact O-N 3.18Å; V466-C469 VanDerWaalsContact O-N 3.11Å; H467-C469 PolarHBondContact O-N 2.97Å; C469-M472 WeakPolarHBondContact O-CB 3.39Å; C469-M472 PolarHBondContact O-N 2.89Å; C469-M472 VanDerWaalsContact SG-CE 3.57Å; C469-L473 WeakPolarHBondContact O-CD1 3.46Å; C469-L473 VanDerWaalsContact O-CG 3.24Å; C469-L473 WeakPolarHBondContact O-CG 3.48Å; C469-L473 PolarHBondContact O-N 3.34Å; C469-L505 HydrophobicContact CB-CD2 3.69Å; C469-L505 WeakPolarHBondContact SG-CD2 3.38Å; C469-F580 HydrophobicContact CB-CE1 3.95Å
470	I	89.1	Confident	84	Confident	3 Å²	3	40 Å²	40	2%	0.015	22%	0.216	C	C	.	.	H	α-helix	trans	-64.9	-45.1	175.7	-65.9	167.2	0	0	0	110	V466 H467 M472 L473 Q474 M556 E557 W560 L578	V466-I470 HydrophobicContact CG1-CD1 4.41Å; V466-I470 WeakPolarHBondContact O-CG1 3.09Å; V466-I470 PolarHBondContact O-N 3.27Å; H467-I470 PolarHBondContact O-N 3.49Å; I470-M472 VanDerWaalsContact C-N 3.34Å; I470-M472 PolarHBondContact O-N 3.28Å; I470-L473 WeakPolarHBondContact O-CB 3.41Å; I470-L473 PolarHBondContact O-N 3.33Å; I470-Q474 WeakPolarHBondContact O-CG 3.27Å; I470-Q474 PolarHBondContact O-N 3.15Å; I470-M556 HydrophobicContact CD1-CB 4.21Å; I470-M556 HydrophobicContact CG1-CB 4.47Å; I470-E557 HydrophobicContact CG2-CB 4.42Å; I470-W560 HydrophobicContact CD1-CB 3.89Å; I470-W560 HydrophobicContact CD1-CG 4.19Å; I470-L578 HydrophobicContact CD1-CD2 4.25Å
471	L	89.5	Confident	84.8	Confident	40 Å²	40	38 Å²	38	21%	0.209	21%	0.207	C	C	.	.	H	α-helix	trans	-61.3	-40.9	173	-68.3	179.5	0	0	0	112.2	H467 L473 Q474 G475 I476 T478	H467-L471 VanDerWaalsContact CE1-CD1 3.44Å; H467-L471 WeakPolarHBondContact CE1-CD1 3.46Å; H467-L471 PolarHBondContact O-N 2.82Å; L471-L473 VanDerWaalsContact C-N 3.33Å; L471-L473 PolarHBondContact O-N 3.18Å; L471-Q474 WeakPolarHBondContact O-CB 3.21Å; L471-Q474 PolarHBondContact O-N 3.09Å; L471-Q474 VanDerWaalsContact O-N 3.14Å; L471-G475 PolarHBondContact O-N 2.9Å; L471-I476 HydrophobicContact CB-CB 4.29Å; L471-I476 HydrophobicContact CD2-CD1 4.11Å; L471-I476 WeakPolarHBondContact O-CB 3.39Å; L471-I476 PolarHBondContact O-N 3.38Å; L471-T478 HydrophobicContact CB-CG2 3.59Å; L471-T478 HydrophobicContact CD1-CG2 4Å; L471-T478 HydrophobicContact CG-CG2 4.47Å
472	M	90.1	Very high	85.2	Confident	2 Å²	2	36 Å²	36	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-61	-39.6	174.8	177	-84.7	-62.2	0	0	112.2	D468 C469 I470 Q474 G475 M481 V483 L489 L508 A512	D468-M472 WeakPolarHBondContact O-CB 3.29Å; D468-M472 PolarHBondContact O-N 2.85Å; C469-M472 WeakPolarHBondContact O-CB 3.39Å; C469-M472 PolarHBondContact O-N 2.89Å; C469-M472 VanDerWaalsContact SG-CE 3.57Å; I470-M472 VanDerWaalsContact C-N 3.34Å; I470-M472 PolarHBondContact O-N 3.28Å; M472-Q474 VanDerWaalsContact C-N 3.26Å; M472-Q474 PolarHBondContact O-N 2.89Å; M472-G475 WeakPolarHBondContact O-CA 3.29Å; M472-G475 PolarHBondContact O-N 3.23Å; M472-M481 HydrophobicContact CB-CG 4.07Å; M472-M481 HydrophobicContact CB-SD 3.81Å; M472-M481 HydrophobicContact CE-SD 4.24Å; M472-M481 HydrophobicContact CG-CG 4.12Å; M472-M481 HydrophobicContact CG-SD 3.8Å; M472-V483 HydrophobicContact CG-CG2 3.41Å; M472-V483 VanDerWaalsContact CG-CG2 3.41Å; M472-V483 HydrophobicContact SD-CG2 3.68Å; M472-L489 HydrophobicContact CG-CD1 4.05Å; M472-L489 HydrophobicContact SD-CD1 4.47Å; M472-L508 HydrophobicContact CE-CB 4.32Å; M472-A512 WeakPolarHBondContact O-CB 3.43Å; M472-A512 HydrophobicContact SD-CB 3.65Å
473	L	90	Very high	85.3	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66.2	-25.5	175.3	-72.4	163.7	0	0	0	113.3	C469 I470 L471 G475 Y549 L553 V583 L587	C469-L473 WeakPolarHBondContact O-CD1 3.46Å; C469-L473 VanDerWaalsContact O-CG 3.24Å; C469-L473 WeakPolarHBondContact O-CG 3.48Å; C469-L473 PolarHBondContact O-N 3.34Å; I470-L473 WeakPolarHBondContact O-CB 3.41Å; I470-L473 PolarHBondContact O-N 3.33Å; L471-L473 VanDerWaalsContact C-N 3.33Å; L471-L473 PolarHBondContact O-N 3.18Å; L473-G475 VanDerWaalsContact C-N 3.26Å; L473-Y549 PolarHBondContact O-OH 3.48Å; L473-L553 HydrophobicContact CB-CD1 3.92Å; L473-L553 HydrophobicContact CB-CD2 3.87Å; L473-L553 HydrophobicContact CD1-CD2 4.09Å; L473-V583 HydrophobicContact CD1-CG1 3.92Å; L473-L587 HydrophobicContact CD1-CD1 3.87Å; L473-L587 HydrophobicContact CD2-CD1 3.68Å; L473-L587 HydrophobicContact CG-CD1 4.43Å
474	Q	87.8	Confident	85.1	Confident	43 Å²	43	34.9 Å²	34.9	20%	0.201	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-1.6	169.4	-61.5	173.8	1.8	0	0	113	I470 L471 M472 I476 Y515 L553	I470-Q474 WeakPolarHBondContact O-CG 3.27Å; I470-Q474 PolarHBondContact O-N 3.15Å; L471-Q474 WeakPolarHBondContact O-CB 3.21Å; L471-Q474 PolarHBondContact O-N 3.09Å; L471-Q474 VanDerWaalsContact O-N 3.14Å; M472-Q474 VanDerWaalsContact C-N 3.26Å; M472-Q474 PolarHBondContact O-N 2.89Å; Q474-I476 VanDerWaalsContact C-N 3.31Å; Q474-I476 HydrophobicContact CB-CD1 4.11Å; Q474-I476 HydrophobicContact CB-CG1 4.05Å; Q474-I476 VanDerWaalsContact OE1-CD1 3.29Å; Q474-Y515 WeakPolarHBondContact O-CE1 3.44Å; Q474-L553 HydrophobicContact CB-CD1 4.48Å; Q474-L553 HydrophobicContact CG-CD1 3.61Å
475	G	83.2	Confident	84.7	Confident	27 Å²	27	36.5 Å²	36.5	28%	0.278	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	8.5	-174.2	0	0	0	0	0	114.6	L471 M472 L473	L471-G475 PolarHBondContact O-N 2.9Å; M472-G475 WeakPolarHBondContact O-CA 3.29Å; M472-G475 PolarHBondContact O-N 3.23Å; L473-G475 VanDerWaalsContact C-N 3.26Å
476	I	86.2	Confident	84.1	Confident	82 Å²	82	43.4 Å²	43.4	42%	0.421	24%	0.238	S	C	.	.			trans	-81.5	137	-177.5	-58.3	178.3	0	0	0	110	L471 Q474	L471-I476 HydrophobicContact CB-CB 4.29Å; L471-I476 HydrophobicContact CD2-CD1 4.11Å; L471-I476 WeakPolarHBondContact O-CB 3.39Å; L471-I476 PolarHBondContact O-N 3.38Å; Q474-I476 VanDerWaalsContact C-N 3.31Å; Q474-I476 HydrophobicContact CB-CD1 4.11Å; Q474-I476 HydrophobicContact CB-CG1 4.05Å; Q474-I476 VanDerWaalsContact OE1-CD1 3.29Å
477	K	84.8	Confident	83.4	Confident	164 Å²	164	48.3 Å²	48.3	71%	0.713	27%	0.265	S	S	*	.			trans	-77.3	125.7	176.2	-66.1	178.2	-176.7	175.5	0	109.8	T482	K477-T482 HydrophobicContact CB-CG2 3.99Å; K477-T482 HydrophobicContact CD-CG2 4.41Å; K477-T482 HydrophobicContact CG-CG2 3.99Å
478	T	84.7	Confident	83.1	Confident	21 Å²	21	46.4 Å²	46.4	13%	0.129	26%	0.261	C	S	.	.			trans	-110.1	173.4	-178.8	67.9	0	0	0	0	111.4	D468 L471 S480 M481	D468-T478 HydrophobicContact CB-CG2 3.98Å; D468-T478 WeakPolarHBondContact OD2-CB 3.24Å; D468-T478 PolarHBondContact OD2-OG1 3.15Å; L471-T478 HydrophobicContact CB-CG2 3.59Å; L471-T478 HydrophobicContact CD1-CG2 4Å; L471-T478 HydrophobicContact CG-CG2 4.47Å; T478-S480 VanDerWaalsContact C-N 3.26Å; T478-S480 PolarHBondContact O-N 3.25Å; T478-S480 PolarHBondContact OG1-N 2.9Å; T478-S480 PolarHBondContact OG1-OG 3.31Å; T478-M481 PolarHBondContact N-O 3.2Å; T478-M481 WeakPolarHBondContact OG1-CG 3.3Å; T478-M481 PolarHBondContact OG1-N 3.03Å; T478-M481 PolarHBondContact OG1-O 3.37Å
479	C	79.1	Confident	82.9	Confident	108 Å²	108	46.5 Å²	46.5	73%	0.73	26%	0.261	S	S	*	.	S	Bend	trans	-68	-26.6	175	-63.7	0	0	0	0	112.8	C492	C479-C492 VanDerWaalsContact O-CB 3.3Å; C479-C492 WeakPolarHBondContact O-CB 3.46Å
480	S	77.1	Confident	82.6	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.28	C	S	.	.	S	Bend	trans	-97.2	-31.1	-177.9	67.2	0	0	0	0	114.4	M460 D468 T478 C492	M460-S480 VanDerWaalsContact SD-CB 3.57Å; D468-S480 WeakPolarHBondContact CB-OG 3.48Å; D468-S480 VanDerWaalsContact OD2-CB 3.29Å; D468-S480 WeakPolarHBondContact OD2-CB 3.45Å; D468-S480 PolarHBondContact OD2-N 2.85Å; D468-S480 PolarHBondContact OD2-OG 3.41Å; T478-S480 VanDerWaalsContact C-N 3.26Å; T478-S480 PolarHBondContact O-N 3.25Å; T478-S480 PolarHBondContact OG1-N 2.9Å; T478-S480 PolarHBondContact OG1-OG 3.31Å; S480-C492 WeakPolarHBondContact O-CB 3.36Å; S480-C492 PolarHBondContact O-N 3.25Å
481	M	85.2	Confident	82.4	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	148.2	-173.1	67.1	-173.4	95.2	0	0	114.1	I465 D468 M472 T478 L489 K490 F491 L505	I465-M481 HydrophobicContact CG2-CE 4.27Å; D468-M481 HydrophobicContact CB-CE 3.91Å; M472-M481 HydrophobicContact CB-CG 4.07Å; M472-M481 HydrophobicContact CB-SD 3.81Å; M472-M481 HydrophobicContact CE-SD 4.24Å; M472-M481 HydrophobicContact CG-CG 4.12Å; M472-M481 HydrophobicContact CG-SD 3.8Å; T478-M481 PolarHBondContact N-O 3.2Å; T478-M481 WeakPolarHBondContact OG1-CG 3.3Å; T478-M481 PolarHBondContact OG1-N 3.03Å; T478-M481 PolarHBondContact OG1-O 3.37Å; M481-L489 HydrophobicContact CB-CD1 3.91Å; M481-L489 HydrophobicContact CG-CD1 4.23Å; M481-L489 HydrophobicContact SD-CD1 4.09Å; M481-K490 WeakPolarHBondContact CA-O 3.19Å; M481-F491 HydrophobicContact CB-CD1 4.37Å; M481-L505 HydrophobicContact CE-CD1 3.74Å; M481-L505 HydrophobicContact CE-CD2 4.02Å; M481-L505 HydrophobicContact CE-CG 4.5Å; M481-L505 HydrophobicContact SD-CD1 4.35Å; M481-L505 HydrophobicContact SD-CD2 4.26Å
482	T	84.5	Confident	81.9	Confident	48 Å²	48	52.8 Å²	52.8	29%	0.294	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	139.7	174.2	58.2	0	0	0	0	109.6	K477 K490	K477-T482 HydrophobicContact CB-CG2 3.99Å; K477-T482 HydrophobicContact CD-CG2 4.41Å; K477-T482 HydrophobicContact CG-CG2 3.99Å; T482-K490 PolarHBondContact N-O 3.47Å; T482-K490 PolarHBondContact O-N 3.03Å; T482-K490 PolarHBondContact OG1-O 2.98Å
483	V	82.7	Confident	81.3	Confident	16 Å²	16	57.8 Å²	57.8	10%	0.097	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	145.6	173.8	-174.5	0	0	0	0	109.1	M472 G488 L489 A512 I513 M516	M472-V483 HydrophobicContact CG-CG2 3.41Å; M472-V483 VanDerWaalsContact CG-CG2 3.41Å; M472-V483 HydrophobicContact SD-CG2 3.68Å; V483-G488 WeakPolarHBondContact CA-O 3.31Å; V483-L489 HydrophobicContact CG2-CD1 3.49Å; V483-L489 VanDerWaalsContact CG2-CD1 3.49Å; V483-A512 HydrophobicContact CG1-CB 4.27Å; V483-A512 HydrophobicContact CG2-CB 4.23Å; V483-I513 HydrophobicContact CG1-CD1 4.34Å; V483-I513 HydrophobicContact CG1-CG1 3.49Å; V483-I513 VanDerWaalsContact CG1-CG1 3.49Å; V483-M516 HydrophobicContact CB-CE 3.75Å; V483-M516 HydrophobicContact CG1-CE 3.42Å; V483-M516 VanDerWaalsContact CG1-CE 3.42Å
484	D	77.8	Confident	80.5	Confident	45 Å²	45	61.5 Å²	61.5	24%	0.241	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	128.6	-176.2	178.1	-29.2	0	0	0	106.5	L486 N487 G488 K490	D484-L486 PolarHBondContact O-N 3.26Å; D484-L486 PolarHBondContact OD1-N 3.18Å; D484-N487 HydrophobicContact CB-CB 4.05Å; D484-N487 PolarHBondContact O-N 2.94Å; D484-N487 PolarHBondContact OD1-N 3.35Å; D484-N487 WeakPolarHBondContact OD2-CB 3.46Å; D484-N487 PolarHBondContact OD2-ND2 3.36Å; D484-G488 PolarHBondContact N-O 2.84Å; D484-G488 WeakPolarHBondContact O-CA 3.12Å; D484-G488 PolarHBondContact O-N 3.33Å; D484-K490 IonicContact OD2-NZ 3.9Å; D484-K490 PolarHBondContact OD2-NZ 3.02Å
485	T	71.5	Confident	79.7	Confident	77 Å²	77	60.1 Å²	60.1	47%	0.472	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-19.7	-175.2	48	0	0	0	0	113.2	M516	T485-M516 HydrophobicContact CG2-CB 3.75Å; T485-M516 HydrophobicContact CG2-CE 4.02Å
486	L	72.3	Confident	79	Confident	159 Å²	159	66.6 Å²	66.6	83%	0.832	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-39.4	176.4	-63.8	173.4	0	0	0	112.3	D484	D484-L486 PolarHBondContact O-N 3.26Å; D484-L486 PolarHBondContact OD1-N 3.18Å
487	N	70.7	Confident	78.5	Confident	103 Å²	103	63.3 Å²	63.3	55%	0.551	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	1.3	-172.3	-60.9	-76.9	0	0	0	114.9	D484 K490	D484-N487 HydrophobicContact CB-CB 4.05Å; D484-N487 PolarHBondContact O-N 2.94Å; D484-N487 PolarHBondContact OD1-N 3.35Å; D484-N487 WeakPolarHBondContact OD2-CB 3.46Å; D484-N487 PolarHBondContact OD2-ND2 3.36Å; N487-K490 VanDerWaalsContact CB-NZ 3.32Å; N487-K490 PolarHBondContact ND2-NZ 3.11Å; N487-K490 VanDerWaalsContact ND2-NZ 3.2Å
488	G	80.7	Confident	78.3	Confident	18 Å²	18	58.6 Å²	58.6	19%	0.186	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	67.4	-147.3	-179.1	0	0	0	0	0	114.1	V483 D484	V483-G488 WeakPolarHBondContact CA-O 3.31Å; D484-G488 PolarHBondContact N-O 2.84Å; D484-G488 WeakPolarHBondContact O-CA 3.12Å; D484-G488 PolarHBondContact O-N 3.33Å
489	L	84.3	Confident	78.2	Confident	18 Å²	18	62.5 Å²	62.5	9%	0.094	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	113	-176.2	-174.3	71.6	0	0	0	112.3	M472 M481 V483 F491 L505 R506	M472-L489 HydrophobicContact CG-CD1 4.05Å; M472-L489 HydrophobicContact SD-CD1 4.47Å; M481-L489 HydrophobicContact CB-CD1 3.91Å; M481-L489 HydrophobicContact CG-CD1 4.23Å; M481-L489 HydrophobicContact SD-CD1 4.09Å; V483-L489 HydrophobicContact CG2-CD1 3.49Å; V483-L489 VanDerWaalsContact CG2-CD1 3.49Å; L489-F491 HydrophobicContact CD2-CE1 3.73Å; L489-F491 HydrophobicContact CD2-CE2 3.97Å; L489-F491 HydrophobicContact CD2-CZ 3.33Å; L489-F491 HydrophobicContact CG-CE1 4.32Å; L489-F491 HydrophobicContact CG-CE2 4.33Å; L489-F491 HydrophobicContact CG-CZ 4.07Å; L489-L505 HydrophobicContact CD2-CB 3.8Å; L489-R506 HydrophobicContact CB-CG 4.45Å; L489-R506 HydrophobicContact CD2-CG 4.08Å
490	K	83.2	Confident	78.3	Confident	93 Å²	93	63.5 Å²	63.5	40%	0.404	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	120.1	172.2	-68.7	167.5	-179.6	160.9	0	109.8	M481 T482 D484 N487	M481-K490 WeakPolarHBondContact CA-O 3.19Å; T482-K490 PolarHBondContact N-O 3.47Å; T482-K490 PolarHBondContact O-N 3.03Å; T482-K490 PolarHBondContact OG1-O 2.98Å; D484-K490 IonicContact OD2-NZ 3.9Å; D484-K490 PolarHBondContact OD2-NZ 3.02Å; N487-K490 VanDerWaalsContact CB-NZ 3.32Å; N487-K490 PolarHBondContact ND2-NZ 3.11Å; N487-K490 VanDerWaalsContact ND2-NZ 3.2Å
491	F	84	Confident	78.7	Confident	40 Å²	40	63.7 Å²	63.7	18%	0.175	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	148.4	174.5	-61.9	-80	0	0	0	111.5	M481 L489 M497 K502 L505 R506	M481-F491 HydrophobicContact CB-CD1 4.37Å; L489-F491 HydrophobicContact CD2-CE1 3.73Å; L489-F491 HydrophobicContact CD2-CE2 3.97Å; L489-F491 HydrophobicContact CD2-CZ 3.33Å; L489-F491 HydrophobicContact CG-CE1 4.32Å; L489-F491 HydrophobicContact CG-CE2 4.33Å; L489-F491 HydrophobicContact CG-CZ 4.07Å; F491-M497 HydrophobicContact CD1-SD 3.77Å; F491-M497 HydrophobicContact CE1-SD 4.15Å; F491-K502 HydrophobicContact CD1-CG 4.39Å; F491-K502 HydrophobicContact CD2-CD 4.19Å; F491-K502 HydrophobicContact CD2-CG 4.38Å; F491-K502 HydrophobicContact CE1-CB 4.39Å; F491-K502 HydrophobicContact CE1-CG 4.01Å; F491-K502 HydrophobicContact CE2-CB 3.88Å; F491-K502 HydrophobicContact CE2-CD 4.23Å; F491-K502 HydrophobicContact CE2-CG 4Å; F491-K502 HydrophobicContact CG-CD 4.42Å; F491-K502 HydrophobicContact CZ-CB 3.71Å; F491-K502 HydrophobicContact CZ-CD 4.48Å; F491-K502 HydrophobicContact CZ-CG 3.8Å; F491-L505 HydrophobicContact CE1-CB 4.19Å; F491-L505 HydrophobicContact CE1-CD1 3.86Å; F491-L505 HydrophobicContact CZ-CB 4.16Å; F491-R506 HydrophobicContact CE2-CG 4.26Å; F491-R506 HydrophobicContact CZ-CG 4.42Å
492	C	80.8	Confident	78.7	Confident	43 Å²	43	66.2 Å²	66.2	29%	0.291	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-66.3	133.4	170.4	-174.4	0	0	0	0	110.8	C479 S480 L494 I495	C479-C492 VanDerWaalsContact O-CB 3.3Å; C479-C492 WeakPolarHBondContact O-CB 3.46Å; S480-C492 WeakPolarHBondContact O-CB 3.36Å; S480-C492 PolarHBondContact O-N 3.25Å; C492-L494 PolarHBondContact O-N 3.19Å; C492-I495 HydrophobicContact CB-CG1 4.33Å; C492-I495 PolarHBondContact O-N 2.89Å
493	S	76	Confident	78.8	Confident	107 Å²	107	66.5 Å²	66.5	75%	0.748	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-17.6	-179.4	50.4	0	0	0	0	113.9	I495	S493-I495 VanDerWaalsContact C-N 3.34Å
494	L	73.2	Confident	78.9	Confident	78 Å²	78	67.3 Å²	67.3	41%	0.408	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-2.8	-178.7	-59.3	173.8	0	0	0	113.8	E455 C492	E455-L494 HydrophobicContact CB-CD1 4.39Å; C492-L494 PolarHBondContact O-N 3.19Å
495	I	71.4	Confident	79.4	Confident	14 Å²	14	65.1 Å²	65.1	7%	0.072	36%	0.364	C	S	.	.			trans	-120.7	116.5	-174.9	-49.8	-165.5	0	0	0	110.7	M460 C492 S493 M497	M460-I495 HydrophobicContact CG-CD1 4.39Å; M460-I495 HydrophobicContact CG-CG2 4.34Å; M460-I495 HydrophobicContact SD-CD1 3.61Å; M460-I495 HydrophobicContact SD-CG2 3.87Å; C492-I495 HydrophobicContact CB-CG1 4.33Å; C492-I495 PolarHBondContact O-N 2.89Å; S493-I495 VanDerWaalsContact C-N 3.34Å; I495-M497 HydrophobicContact CG2-CG 3.89Å
496	E	69.5	Low	80.2	Confident	163 Å²	163	68.5 Å²	68.5	76%	0.762	37%	0.368	S	S	*	.			trans	-79.4	122.9	172.5	-170.1	171	-139.5	0	0	109.5
497	M	75.3	Confident	80.9	Confident	12 Å²	12	66.6 Å²	66.6	6%	0.059	35%	0.353	C	S	.	.			trans	-137.6	141.5	178.5	-39.2	166.5	74.8	0	0	108.8	I465 F491 I495 V501 K502 L505	I465-M497 HydrophobicContact CB-CE 4.41Å; I465-M497 HydrophobicContact CD1-CE 4.01Å; I465-M497 HydrophobicContact CG1-CE 4.14Å; I465-M497 HydrophobicContact CG2-CE 3.37Å; F491-M497 HydrophobicContact CD1-SD 3.77Å; F491-M497 HydrophobicContact CE1-SD 4.15Å; I495-M497 HydrophobicContact CG2-CG 3.89Å; M497-V501 HydrophobicContact CE-CG1 4.24Å; M497-K502 HydrophobicContact CB-CG 4.15Å; M497-K502 WeakPolarHBondContact O-CE 3.49Å; M497-L505 HydrophobicContact CE-CD1 3.58Å
498	P	81.2	Confident	81.7	Confident	66 Å²	66	61.7 Å²	61.7	43%	0.429	33%	0.327	S	S	.	.			trans	-57.1	146.9	179.2	-24.9	34	0	0	0	113.2	F500 V501 K502	P498-F500 VanDerWaalsContact C-N 3.27Å; P498-F500 HydrophobicContact CB-CD1 3.5Å; P498-F500 VanDerWaalsContact CB-CD1 3.5Å; P498-F500 HydrophobicContact CB-CE1 3.37Å; P498-F500 HydrophobicContact CB-CG 4.45Å; P498-F500 HydrophobicContact CB-CZ 4.24Å; P498-F500 HydrophobicContact CG-CE1 3.92Å; P498-F500 HydrophobicContact CG-CZ 4.48Å; P498-F500 PolarHBondContact O-N 3.05Å; P498-V501 HydrophobicContact CB-CG2 4.12Å; P498-V501 HydrophobicContact CG-CG2 4.17Å; P498-V501 PolarHBondContact O-N 3.37Å; P498-V501 VanDerWaalsContact O-N 3.15Å; P498-K502 PolarHBondContact O-N 2.97Å
499	S	80.9	Confident	82.1	Confident	103 Å²	103	61.1 Å²	61.1	72%	0.72	32%	0.32	S	S	*	.	H	α-helix	trans	-58.2	-36.5	179.7	51.4	0	0	0	0	113.1	K502 A503	S499-K502 PolarHBondContact O-N 3.09Å; S499-A503 PolarHBondContact O-N 3.32Å
500	F	82.9	Confident	82.4	Confident	128 Å²	128	64.2 Å²	64.2	56%	0.561	33%	0.33	S	S	*	.	H	α-helix	trans	-65.9	-43.5	176.3	77.4	-91.9	0	0	0	112	P498 K502 A503 I504	P498-F500 VanDerWaalsContact C-N 3.27Å; P498-F500 HydrophobicContact CB-CD1 3.5Å; P498-F500 VanDerWaalsContact CB-CD1 3.5Å; P498-F500 HydrophobicContact CB-CE1 3.37Å; P498-F500 HydrophobicContact CB-CG 4.45Å; P498-F500 HydrophobicContact CB-CZ 4.24Å; P498-F500 HydrophobicContact CG-CE1 3.92Å; P498-F500 HydrophobicContact CG-CZ 4.48Å; P498-F500 PolarHBondContact O-N 3.05Å; F500-K502 VanDerWaalsContact C-N 3.34Å; F500-K502 PolarHBondContact O-N 3.46Å; F500-A503 WeakPolarHBondContact O-CB 3.2Å; F500-A503 PolarHBondContact O-N 3.23Å; F500-A503 VanDerWaalsContact O-N 3.08Å; F500-I504 HydrophobicContact CD2-CD1 4.1Å; F500-I504 WeakPolarHBondContact O-CG1 3.46Å; F500-I504 PolarHBondContact O-N 3.41Å
501	V	85	Confident	82.8	Confident	4 Å²	4	60.2 Å²	60.2	2%	0.024	31%	0.313	C	S	.	.	H	α-helix	trans	-61.5	-43.5	174.4	-179.3	0	0	0	0	110.2	I465 M497 P498 A503 I504 L505 F580	I465-V501 HydrophobicContact CG2-CG1 4.18Å; M497-V501 HydrophobicContact CE-CG1 4.24Å; P498-V501 HydrophobicContact CB-CG2 4.12Å; P498-V501 HydrophobicContact CG-CG2 4.17Å; P498-V501 PolarHBondContact O-N 3.37Å; P498-V501 VanDerWaalsContact O-N 3.15Å; V501-A503 VanDerWaalsContact C-N 3.26Å; V501-A503 PolarHBondContact O-N 2.88Å; V501-I504 PolarHBondContact O-N 3.1Å; V501-L505 HydrophobicContact CG1-CD1 3.75Å; V501-L505 HydrophobicContact CG1-CG 4.2Å; V501-L505 WeakPolarHBondContact O-CB 3.15Å; V501-L505 VanDerWaalsContact O-CG 3.28Å; V501-L505 WeakPolarHBondContact O-CG 3.44Å; V501-L505 PolarHBondContact O-N 2.87Å; V501-F580 HydrophobicContact CG1-CE2 3.94Å; V501-F580 HydrophobicContact CG1-CZ 4.25Å
502	K	85.6	Confident	83	Confident	55 Å²	55	58.3 Å²	58.3	24%	0.239	31%	0.305	C	S	.	.	H	α-helix	trans	-62.7	-30.6	174.9	-66.9	-171.8	-179.9	-175.3	0	112.9	F491 M497 P498 S499 F500 R506	F491-K502 HydrophobicContact CD1-CG 4.39Å; F491-K502 HydrophobicContact CD2-CD 4.19Å; F491-K502 HydrophobicContact CD2-CG 4.38Å; F491-K502 HydrophobicContact CE1-CB 4.39Å; F491-K502 HydrophobicContact CE1-CG 4.01Å; F491-K502 HydrophobicContact CE2-CB 3.88Å; F491-K502 HydrophobicContact CE2-CD 4.23Å; F491-K502 HydrophobicContact CE2-CG 4Å; F491-K502 HydrophobicContact CG-CD 4.42Å; F491-K502 HydrophobicContact CZ-CB 3.71Å; F491-K502 HydrophobicContact CZ-CD 4.48Å; F491-K502 HydrophobicContact CZ-CG 3.8Å; M497-K502 HydrophobicContact CB-CG 4.15Å; M497-K502 WeakPolarHBondContact O-CE 3.49Å; P498-K502 PolarHBondContact O-N 2.97Å; S499-K502 PolarHBondContact O-N 3.09Å; F500-K502 VanDerWaalsContact C-N 3.34Å; F500-K502 PolarHBondContact O-N 3.46Å; K502-R506 WeakPolarHBondContact O-CB 3.38Å; K502-R506 WeakPolarHBondContact O-CD 3.45Å; K502-R506 WeakPolarHBondContact O-CG 3.36Å; K502-R506 PolarHBondContact O-N 3.1Å
503	A	85.2	Confident	83.5	Confident	55 Å²	55	58.3 Å²	58.3	46%	0.455	30%	0.301	S	S	.	.	H	α-helix	trans	-73.3	-44.8	174.7	0	0	0	0	0	112.3	S499 F500 V501 R506 K507	S499-A503 PolarHBondContact O-N 3.32Å; F500-A503 WeakPolarHBondContact O-CB 3.2Å; F500-A503 PolarHBondContact O-N 3.23Å; F500-A503 VanDerWaalsContact O-N 3.08Å; V501-A503 VanDerWaalsContact C-N 3.26Å; V501-A503 PolarHBondContact O-N 2.88Å; A503-R506 PolarHBondContact O-N 3.3Å; A503-K507 PolarHBondContact O-N 2.93Å
504	I	85.6	Confident	84.1	Confident	32 Å²	32	54.9 Å²	54.9	16%	0.164	27%	0.273	C	S	.	.	H	α-helix	trans	-65.5	-44.4	177.9	-60.5	162.5	0	0	0	110.6	F500 V501 R506 K507 L508 F580	F500-I504 HydrophobicContact CD2-CD1 4.1Å; F500-I504 WeakPolarHBondContact O-CG1 3.46Å; F500-I504 PolarHBondContact O-N 3.41Å; V501-I504 PolarHBondContact O-N 3.1Å; I504-R506 VanDerWaalsContact C-N 3.32Å; I504-R506 PolarHBondContact O-N 3.48Å; I504-K507 WeakPolarHBondContact O-CA 3.23Å; I504-K507 WeakPolarHBondContact O-CB 3.43Å; I504-K507 PolarHBondContact O-N 3.27Å; I504-L508 HydrophobicContact CG2-CD1 4.09Å; I504-L508 HydrophobicContact CG2-CG 4.4Å; I504-L508 PolarHBondContact O-N 2.87Å; I504-F580 HydrophobicContact CG2-CB 3.6Å; I504-F580 HydrophobicContact CG2-CG 4.14Å
505	L	87.9	Confident	85	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.6	-37.9	175.8	-69.9	172.2	0	0	0	112.3	I465 C469 M481 L489 F491 M497 V501 L508 S509 F580	I465-L505 HydrophobicContact CG2-CD1 3.9Å; C469-L505 HydrophobicContact CB-CD2 3.69Å; C469-L505 WeakPolarHBondContact SG-CD2 3.38Å; M481-L505 HydrophobicContact CE-CD1 3.74Å; M481-L505 HydrophobicContact CE-CD2 4.02Å; M481-L505 HydrophobicContact CE-CG 4.5Å; M481-L505 HydrophobicContact SD-CD1 4.35Å; M481-L505 HydrophobicContact SD-CD2 4.26Å; L489-L505 HydrophobicContact CD2-CB 3.8Å; F491-L505 HydrophobicContact CE1-CB 4.19Å; F491-L505 HydrophobicContact CE1-CD1 3.86Å; F491-L505 HydrophobicContact CZ-CB 4.16Å; M497-L505 HydrophobicContact CE-CD1 3.58Å; V501-L505 HydrophobicContact CG1-CD1 3.75Å; V501-L505 HydrophobicContact CG1-CG 4.2Å; V501-L505 WeakPolarHBondContact O-CB 3.15Å; V501-L505 VanDerWaalsContact O-CG 3.28Å; V501-L505 WeakPolarHBondContact O-CG 3.44Å; V501-L505 PolarHBondContact O-N 2.87Å; L505-L508 PolarHBondContact O-N 2.77Å; L505-S509 WeakPolarHBondContact O-CB 3.41Å; L505-S509 PolarHBondContact O-N 2.98Å; L505-F580 HydrophobicContact CD2-CD1 4.33Å; L505-F580 HydrophobicContact CD2-CE1 3.72Å; L505-F580 HydrophobicContact CD2-CZ 4.2Å
506	R	87.8	Confident	85.9	Confident	148 Å²	148	54.1 Å²	54.1	56%	0.558	27%	0.266	S	S	*	.	H	α-helix	trans	-61.3	-42.9	171.8	-79.9	169.8	175.2	153	-5.3	111.7	L489 F491 K502 A503 I504 S509	L489-R506 HydrophobicContact CB-CG 4.45Å; L489-R506 HydrophobicContact CD2-CG 4.08Å; F491-R506 HydrophobicContact CE2-CG 4.26Å; F491-R506 HydrophobicContact CZ-CG 4.42Å; K502-R506 WeakPolarHBondContact O-CB 3.38Å; K502-R506 WeakPolarHBondContact O-CD 3.45Å; K502-R506 WeakPolarHBondContact O-CG 3.36Å; K502-R506 PolarHBondContact O-N 3.1Å; A503-R506 PolarHBondContact O-N 3.3Å; I504-R506 VanDerWaalsContact C-N 3.32Å; I504-R506 PolarHBondContact O-N 3.48Å; R506-S509 PolarHBondContact O-N 3.35Å; R506-S509 PolarHBondContact O-OG 3.47Å
507	K	86.7	Confident	86.8	Confident	119 Å²	119	49.5 Å²	49.5	52%	0.517	24%	0.244	S	C	.	.	H	α-helix	trans	-61.6	-45.3	175.9	-168.7	-175.8	178.2	-162.1	0	111.6	A503 I504 W510 E584	A503-K507 PolarHBondContact O-N 2.93Å; I504-K507 WeakPolarHBondContact O-CA 3.23Å; I504-K507 WeakPolarHBondContact O-CB 3.43Å; I504-K507 PolarHBondContact O-N 3.27Å; K507-W510 WeakPolarHBondContact O-CB 3.44Å; K507-W510 PolarHBondContact O-N 3.3Å; K507-E584 WeakPolarHBondContact CD-OE2 3.42Å; K507-E584 WeakPolarHBondContact CE-OE1 3.41Å; K507-E584 VanDerWaalsContact CE-OE2 3.24Å; K507-E584 WeakPolarHBondContact CE-OE2 3.27Å; K507-E584 IonicContact NZ-OE1 2.71Å; K507-E584 PolarHBondContact NZ-OE1 2.95Å; K507-E584 IonicContact NZ-OE2 3.19Å; K507-E584 PolarHBondContact NZ-OE2 3.13Å
508	L	89.2	Confident	87.5	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-67.7	-33	176.3	-68.2	174.2	0	0	0	112.9	M472 I504 L505 W510 Y511 F580 V583 E584 L587	M472-L508 HydrophobicContact CE-CB 4.32Å; I504-L508 HydrophobicContact CG2-CD1 4.09Å; I504-L508 HydrophobicContact CG2-CG 4.4Å; I504-L508 PolarHBondContact O-N 2.87Å; L505-L508 PolarHBondContact O-N 2.77Å; L508-W510 PolarHBondContact O-N 3.29Å; L508-Y511 HydrophobicContact CD2-CE2 4.45Å; L508-Y511 WeakPolarHBondContact O-CB 3.47Å; L508-Y511 WeakPolarHBondContact O-CD2 3.21Å; L508-Y511 PolarHBondContact O-N 3.04Å; L508-F580 HydrophobicContact CD1-CB 4.44Å; L508-F580 HydrophobicContact CD1-CD1 3.97Å; L508-V583 HydrophobicContact CD1-CG1 4.19Å; L508-V583 HydrophobicContact CD2-CG1 4.25Å; L508-E584 HydrophobicContact CD2-CB 4.03Å; L508-E584 HydrophobicContact CD2-CG 4.34Å; L508-L587 HydrophobicContact CD2-CD1 4.11Å
509	S	89.5	Confident	87.9	Confident	6 Å²	6	47.4 Å²	47.4	4%	0.042	23%	0.232	C	C	.	.	H	α-helix	trans	-61.8	-17.3	179	75.8	0	0	0	0	114.3	L505 R506 Y511 A512 I513	L505-S509 WeakPolarHBondContact O-CB 3.41Å; L505-S509 PolarHBondContact O-N 2.98Å; R506-S509 PolarHBondContact O-N 3.35Å; R506-S509 PolarHBondContact O-OG 3.47Å; S509-Y511 VanDerWaalsContact C-N 3.26Å; S509-Y511 PolarHBondContact O-N 3.05Å; S509-A512 WeakPolarHBondContact O-CB 3.05Å; S509-A512 PolarHBondContact O-N 2.73Å; S509-I513 VanDerWaalsContact O-CG1 3.28Å; S509-I513 WeakPolarHBondContact O-CG1 3.31Å; S509-I513 PolarHBondContact O-N 3.26Å
510	W	90	Very high	88.3	Confident	82 Å²	82	45.2 Å²	45.2	31%	0.311	22%	0.217	S	C	.	.	H	α-helix	trans	-55.3	-41.7	170.1	-178.3	94.4	0	0	0	112.1	K507 L508 I513 K514 K591 L594 Y595	K507-W510 WeakPolarHBondContact O-CB 3.44Å; K507-W510 PolarHBondContact O-N 3.3Å; L508-W510 PolarHBondContact O-N 3.29Å; W510-I513 PolarHBondContact O-N 3.41Å; W510-K514 HydrophobicContact CD2-CG 4.13Å; W510-K514 HydrophobicContact CE3-CG 4.22Å; W510-K514 HydrophobicContact CH2-CG 3.81Å; W510-K514 HydrophobicContact CZ2-CD 4.29Å; W510-K514 HydrophobicContact CZ2-CG 3.74Å; W510-K514 HydrophobicContact CZ3-CG 4.07Å; W510-K514 WeakPolarHBondContact O-CG 3.42Å; W510-K514 PolarHBondContact O-N 3.08Å; W510-K591 HydrophobicContact CH2-CG 4.27Å; W510-K591 VanDerWaalsContact CH2-O 3.31Å; W510-K591 WeakPolarHBondContact CH2-O 3.4Å; W510-K591 HydrophobicContact CZ3-CG 4.14Å; W510-L594 HydrophobicContact CH2-CB 4.25Å; W510-L594 HydrophobicContact CZ3-CB 4.35Å; W510-Y595 HydrophobicContact CZ2-CD2 4.19Å
511	Y	91	Very high	88.5	Confident	9 Å²	9	39.6 Å²	39.6	4%	0.035	19%	0.192	C	C	.	.	H	α-helix	trans	-64.6	-44	177.2	-66.2	-81.5	0	0	0	111.2	L508 S509 I513 K514 Y515 L587 K591 L594	L508-Y511 HydrophobicContact CD2-CE2 4.45Å; L508-Y511 WeakPolarHBondContact O-CB 3.47Å; L508-Y511 WeakPolarHBondContact O-CD2 3.21Å; L508-Y511 PolarHBondContact O-N 3.04Å; S509-Y511 VanDerWaalsContact C-N 3.26Å; S509-Y511 PolarHBondContact O-N 3.05Å; Y511-I513 PolarHBondContact O-N 3.24Å; Y511-K514 PolarHBondContact O-N 3.25Å; Y511-Y515 WeakPolarHBondContact O-CB 3.44Å; Y511-Y515 PolarHBondContact O-N 3.28Å; Y511-L587 HydrophobicContact CD1-CB 4.3Å; Y511-L587 HydrophobicContact CD1-CD1 4.44Å; Y511-L587 HydrophobicContact CD2-CB 4.29Å; Y511-L587 HydrophobicContact CD2-CD1 3.58Å; Y511-L587 HydrophobicContact CE1-CB 3.88Å; Y511-L587 HydrophobicContact CE2-CB 3.86Å; Y511-L587 HydrophobicContact CE2-CD1 3.88Å; Y511-L587 HydrophobicContact CG-CB 4.49Å; Y511-L587 HydrophobicContact CG-CD1 3.89Å; Y511-K591 HydrophobicContact CE1-CB 4.06Å; Y511-L594 HydrophobicContact CD1-CD1 3.89Å
512	A	89.4	Confident	88.6	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61	-42.1	175.5	0	0	0	0	0	112.9	M472 V483 S509 Y515 M516	M472-A512 WeakPolarHBondContact O-CB 3.43Å; M472-A512 HydrophobicContact SD-CB 3.65Å; V483-A512 HydrophobicContact CG1-CB 4.27Å; V483-A512 HydrophobicContact CG2-CB 4.23Å; S509-A512 WeakPolarHBondContact O-CB 3.05Å; S509-A512 PolarHBondContact O-N 2.73Å; A512-Y515 PolarHBondContact O-N 3.13Å; A512-M516 WeakPolarHBondContact O-CB 3.43Å; A512-M516 WeakPolarHBondContact O-CG 3.28Å; A512-M516 PolarHBondContact O-N 3.1Å
513	I	89.8	Confident	88.6	Confident	44 Å²	44	40 Å²	40	23%	0.226	20%	0.196	C	C	.	.	H	α-helix	trans	-62.8	-43.8	176.5	-66.2	162.6	0	0	0	110.6	V483 S509 W510 Y511 K517	V483-I513 HydrophobicContact CG1-CD1 4.34Å; V483-I513 HydrophobicContact CG1-CG1 3.49Å; V483-I513 VanDerWaalsContact CG1-CG1 3.49Å; S509-I513 VanDerWaalsContact O-CG1 3.28Å; S509-I513 WeakPolarHBondContact O-CG1 3.31Å; S509-I513 PolarHBondContact O-N 3.26Å; W510-I513 PolarHBondContact O-N 3.41Å; Y511-I513 PolarHBondContact O-N 3.24Å; I513-K517 WeakPolarHBondContact O-CB 3.42Å; I513-K517 PolarHBondContact O-N 2.89Å
514	K	90.1	Very high	88.5	Confident	34 Å²	34	42.1 Å²	42.1	15%	0.148	20%	0.197	C	C	.	.	H	α-helix	trans	-67.5	-43.3	176.7	-70	-55.7	-165.2	-177.7	0	112.4	W510 Y511 K517 L518 L594 S598	W510-K514 HydrophobicContact CD2-CG 4.13Å; W510-K514 HydrophobicContact CE3-CG 4.22Å; W510-K514 HydrophobicContact CH2-CG 3.81Å; W510-K514 HydrophobicContact CZ2-CD 4.29Å; W510-K514 HydrophobicContact CZ2-CG 3.74Å; W510-K514 HydrophobicContact CZ3-CG 4.07Å; W510-K514 WeakPolarHBondContact O-CG 3.42Å; W510-K514 PolarHBondContact O-N 3.08Å; Y511-K514 PolarHBondContact O-N 3.25Å; K514-K517 PolarHBondContact O-N 3.15Å; K514-L518 WeakPolarHBondContact O-CG 3.42Å; K514-L518 PolarHBondContact O-N 3.49Å; K514-L594 HydrophobicContact CB-CB 4.13Å; K514-S598 PolarHBondContact NZ-OG 2.92Å
515	Y	91.4	Very high	88.3	Confident	35 Å²	35	41 Å²	41	14%	0.137	19%	0.192	C	C	.	.	H	α-helix	trans	-56.1	-52.5	174.6	174.6	-97.2	0	0	0	111.4	Q474 Y511 A512 K517 L518 S519 L546 Y549 L550	Q474-Y515 WeakPolarHBondContact O-CE1 3.44Å; Y511-Y515 WeakPolarHBondContact O-CB 3.44Å; Y511-Y515 PolarHBondContact O-N 3.28Å; A512-Y515 PolarHBondContact O-N 3.13Å; Y515-K517 PolarHBondContact O-N 3.49Å; Y515-L518 PolarHBondContact O-N 3.46Å; Y515-S519 PolarHBondContact O-N 3.03Å; Y515-L546 HydrophobicContact CD2-CD2 3.7Å; Y515-L546 HydrophobicContact CE2-CD2 4.1Å; Y515-Y549 AromaticContact CD2-CD1 3.44Å; Y515-Y549 HydrophobicContact CD2-CD1 3.44Å; Y515-Y549 VanDerWaalsContact CD2-CD1 3.44Å; Y515-Y549 AromaticContact CD2-CE1 3.35Å; Y515-Y549 HydrophobicContact CD2-CE1 3.35Å; Y515-Y549 AromaticContact CE2-CD1 3.94Å; Y515-Y549 HydrophobicContact CE2-CD1 3.94Å; Y515-Y549 HydrophobicContact CE2-CE1 4.05Å; Y515-Y549 HydrophobicContact CG-CD1 4.26Å; Y515-Y549 AromaticContact CG-CE1 3.71Å; Y515-Y549 HydrophobicContact CG-CE1 3.71Å; Y515-L550 HydrophobicContact CE2-CD1 4.38Å; Y515-L550 HydrophobicContact CE2-CD2 3.96Å; Y515-L550 HydrophobicContact CE2-CG 4.11Å
516	M	89.2	Confident	87.8	Confident	42 Å²	42	47.1 Å²	47.1	21%	0.207	22%	0.22	C	C	.	.	H	α-helix	trans	-62.4	-39.3	178.5	-72	-168.4	-64.4	0	0	112.9	V483 T485 A512 S519 S520	V483-M516 HydrophobicContact CB-CE 3.75Å; V483-M516 HydrophobicContact CG1-CE 3.42Å; V483-M516 VanDerWaalsContact CG1-CE 3.42Å; T485-M516 HydrophobicContact CG2-CB 3.75Å; T485-M516 HydrophobicContact CG2-CE 4.02Å; A512-M516 WeakPolarHBondContact O-CB 3.43Å; A512-M516 WeakPolarHBondContact O-CG 3.28Å; A512-M516 PolarHBondContact O-N 3.1Å; M516-S519 PolarHBondContact O-N 3.47Å; M516-S520 WeakPolarHBondContact O-CB 3.3Å; M516-S520 PolarHBondContact O-N 2.75Å
517	K	89.2	Confident	87	Confident	66 Å²	66	48.8 Å²	48.8	29%	0.287	23%	0.228	S	C	.	.	H	α-helix	trans	-61.2	-45.4	175.9	-178.9	175.3	-176.4	171.2	0	111.9	I513 K514 Y515 F521 D602	I513-K517 WeakPolarHBondContact O-CB 3.42Å; I513-K517 PolarHBondContact O-N 2.89Å; K514-K517 PolarHBondContact O-N 3.15Å; Y515-K517 PolarHBondContact O-N 3.49Å; K517-F521 PolarHBondContact O-N 3.5Å; K517-D602 IonicContact NZ-OD1 3.18Å; K517-D602 PolarHBondContact NZ-OD1 2.74Å; K517-D602 IonicContact NZ-OD2 3.33Å; K517-D602 PolarHBondContact NZ-OD2 2.81Å
518	L	90.3	Very high	85.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-70.6	-38.2	-180	-69.6	178.1	0	0	0	112.1	K514 Y515 F521 C522 I542 L546 L594 L597 V601	K514-L518 WeakPolarHBondContact O-CG 3.42Å; K514-L518 PolarHBondContact O-N 3.49Å; Y515-L518 PolarHBondContact O-N 3.46Å; L518-F521 PolarHBondContact O-N 2.89Å; L518-C522 WeakPolarHBondContact O-CB 3.46Å; L518-C522 PolarHBondContact O-N 3.46Å; L518-I542 HydrophobicContact CB-CG2 3.84Å; L518-I542 HydrophobicContact CD1-CG2 4.45Å; L518-I542 HydrophobicContact CD2-CD1 4.16Å; L518-I542 HydrophobicContact CD2-CG1 4.45Å; L518-I542 HydrophobicContact CD2-CG2 4.21Å; L518-I542 HydrophobicContact CG-CG2 4.38Å; L518-L546 HydrophobicContact CB-CD1 4.12Å; L518-L546 HydrophobicContact CB-CD2 4.04Å; L518-L546 HydrophobicContact CB-CG 4.45Å; L518-L546 HydrophobicContact CD1-CD2 4.22Å; L518-L594 HydrophobicContact CD1-CD2 3.57Å; L518-L597 HydrophobicContact CD1-CB 3.93Å; L518-L597 HydrophobicContact CD1-CD1 4.4Å; L518-L597 HydrophobicContact CD2-CB 3.96Å; L518-V601 HydrophobicContact CD2-CG2 3.79Å
519	S	90	Very high	84.3	Confident	33 Å²	33	50.1 Å²	50.1	23%	0.231	25%	0.249	C	C	.	.	H	α-helix	trans	-62.8	-44.5	173.2	-163.2	0	0	0	0	111.8	Y515 M516 F521 C522 D523	Y515-S519 PolarHBondContact O-N 3.03Å; M516-S519 PolarHBondContact O-N 3.47Å; S519-F521 VanDerWaalsContact C-N 3.35Å; S519-F521 PolarHBondContact O-N 3.04Å; S519-C522 WeakPolarHBondContact O-CB 3.38Å; S519-C522 PolarHBondContact O-N 2.94Å; S519-C522 VanDerWaalsContact O-N 3.12Å; S519-D523 VanDerWaalsContact O-CG 3.3Å; S519-D523 PolarHBondContact O-N 2.93Å; S519-D523 PolarHBondContact OG-OD2 3.47Å
520	S	87.7	Confident	82.6	Confident	58 Å²	58	61.1 Å²	61.1	41%	0.406	29%	0.29	S	S	.	.	H	α-helix	trans	-56.1	-48.5	177	-164	0	0	0	0	111.4	M516 C522 D523 E524	M516-S520 WeakPolarHBondContact O-CB 3.3Å; M516-S520 PolarHBondContact O-N 2.75Å; S520-C522 PolarHBondContact O-N 3.45Å; S520-D523 PolarHBondContact O-N 2.65Å; S520-E524 WeakPolarHBondContact O-CB 3.47Å; S520-E524 VanDerWaalsContact O-CG 3.23Å; S520-E524 WeakPolarHBondContact O-CG 3.39Å; S520-E524 PolarHBondContact O-N 3.37Å; S520-E524 PolarHBondContact OG-OE1 2.91Å
521	F	87.4	Confident	81.2	Confident	9 Å²	9	59.3 Å²	59.3	4%	0.039	29%	0.285	C	S	.	.	H	α-helix	trans	-59.1	-45.4	175.5	173	-96.8	0	0	0	112.3	K517 L518 S519 D523 E524 V525 T535 L538 D539 I542 V601 T604	K517-F521 PolarHBondContact O-N 3.5Å; L518-F521 PolarHBondContact O-N 2.89Å; S519-F521 VanDerWaalsContact C-N 3.35Å; S519-F521 PolarHBondContact O-N 3.04Å; F521-D523 VanDerWaalsContact C-N 3.33Å; F521-D523 PolarHBondContact O-N 2.93Å; F521-E524 PolarHBondContact O-N 3.1Å; F521-V525 HydrophobicContact CD1-CG2 4.33Å; F521-V525 HydrophobicContact CD2-CG2 4.26Å; F521-V525 HydrophobicContact CE1-CG2 3.84Å; F521-V525 HydrophobicContact CE2-CG2 3.76Å; F521-V525 HydrophobicContact CZ-CG2 3.53Å; F521-V525 WeakPolarHBondContact O-CG2 3.46Å; F521-V525 PolarHBondContact O-N 3.38Å; F521-T535 HydrophobicContact CZ-CG2 4.47Å; F521-L538 HydrophobicContact CE1-CD2 4.17Å; F521-L538 HydrophobicContact CE1-CG 4.26Å; F521-L538 HydrophobicContact CZ-CD2 4.06Å; F521-D539 HydrophobicContact CE1-CB 4.46Å; F521-I542 HydrophobicContact CD1-CD1 3.56Å; F521-I542 HydrophobicContact CE1-CD1 3.68Å; F521-V601 HydrophobicContact CB-CG1 3.87Å; F521-V601 HydrophobicContact CB-CG2 4.26Å; F521-V601 HydrophobicContact CD1-CG2 3.74Å; F521-V601 HydrophobicContact CD2-CG1 3.76Å; F521-V601 HydrophobicContact CD2-CG2 4.24Å; F521-V601 HydrophobicContact CE1-CG2 4.14Å; F521-V601 HydrophobicContact CE2-CG1 4.49Å; F521-V601 HydrophobicContact CG-CB 4.46Å; F521-V601 HydrophobicContact CG-CG1 3.8Å; F521-V601 HydrophobicContact CG-CG2 3.79Å; F521-T604 HydrophobicContact CE2-CG2 3.77Å; F521-T604 WeakPolarHBondContact CE2-OG1 3.26Å; F521-T604 HydrophobicContact CZ-CG2 3.86Å
522	C	86.9	Confident	79.9	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.007	30%	0.303	C	S	.	.	H	α-helix	trans	-58.7	-43.7	177	-83.7	0	0	0	0	112.2	L518 S519 S520 V525 H526 D539 I542 R543	L518-C522 WeakPolarHBondContact O-CB 3.46Å; L518-C522 PolarHBondContact O-N 3.46Å; S519-C522 WeakPolarHBondContact O-CB 3.38Å; S519-C522 PolarHBondContact O-N 2.94Å; S519-C522 VanDerWaalsContact O-N 3.12Å; S520-C522 PolarHBondContact O-N 3.45Å; C522-V525 PolarHBondContact O-N 2.89Å; C522-H526 WeakPolarHBondContact O-CB 3.45Å; C522-H526 PolarHBondContact O-N 2.99Å; C522-D539 WeakPolarHBondContact CA-OD1 3.36Å; C522-D539 VanDerWaalsContact CB-OD1 3.31Å; C522-D539 WeakPolarHBondContact CB-OD1 3.47Å; C522-D539 PolarHBondContact SG-OD1 2.68Å; C522-I542 WeakPolarHBondContact SG-CG2 3.27Å; C522-R543 HydrophobicContact CB-CG 4.44Å; C522-R543 PolarHBondContact O-NH2 3.17Å
523	D	86	Confident	78.9	Confident	66 Å²	66	62.9 Å²	62.9	35%	0.353	32%	0.32	S	S	.	.	H	α-helix	trans	-72.4	-38.4	-179.9	-62.6	-33.3	0	0	0	111.7	S519 S520 F521 V525 H526 Y527 R543	S519-D523 VanDerWaalsContact O-CG 3.3Å; S519-D523 PolarHBondContact O-N 2.93Å; S519-D523 PolarHBondContact OG-OD2 3.47Å; S520-D523 PolarHBondContact O-N 2.65Å; F521-D523 VanDerWaalsContact C-N 3.33Å; F521-D523 PolarHBondContact O-N 2.93Å; D523-V525 VanDerWaalsContact C-N 3.34Å; D523-V525 PolarHBondContact O-N 3.15Å; D523-H526 PolarHBondContact O-N 3.32Å; D523-H526 VanDerWaalsContact O-N 3.17Å; D523-Y527 WeakPolarHBondContact O-CD2 3.46Å; D523-Y527 PolarHBondContact O-N 2.99Å; D523-R543 IonicContact OD1-NH2 3.41Å
524	E	83.8	Confident	78.2	Confident	100 Å²	100	62.2 Å²	62.2	47%	0.467	32%	0.315	S	S	.	.	H	α-helix	trans	-58.9	-41.8	170.5	-73.4	164.7	-130.1	0	0	112	S520 F521 A528 H531	S520-E524 WeakPolarHBondContact O-CB 3.47Å; S520-E524 VanDerWaalsContact O-CG 3.23Å; S520-E524 WeakPolarHBondContact O-CG 3.39Å; S520-E524 PolarHBondContact O-N 3.37Å; S520-E524 PolarHBondContact OG-OE1 2.91Å; F521-E524 PolarHBondContact O-N 3.1Å; E524-A528 VanDerWaalsContact O-CB 3.25Å; E524-A528 WeakPolarHBondContact O-CB 3.44Å; E524-A528 PolarHBondContact O-N 2.99Å; E524-H531 PolarHBondContact O-CE1 2.86Å; E524-H531 PolarHBondContact O-ND1 2.78Å
525	V	80.7	Confident	77.5	Confident	10 Å²	10	61.3 Å²	61.3	6%	0.061	31%	0.312	C	S	.	.	H	α-helix	trans	-68.8	-33	174.7	174.1	0	0	0	0	112.4	F521 C522 D523 H531 R536 D539	F521-V525 HydrophobicContact CD1-CG2 4.33Å; F521-V525 HydrophobicContact CD2-CG2 4.26Å; F521-V525 HydrophobicContact CE1-CG2 3.84Å; F521-V525 HydrophobicContact CE2-CG2 3.76Å; F521-V525 HydrophobicContact CZ-CG2 3.53Å; F521-V525 WeakPolarHBondContact O-CG2 3.46Å; F521-V525 PolarHBondContact O-N 3.38Å; C522-V525 PolarHBondContact O-N 2.89Å; D523-V525 VanDerWaalsContact C-N 3.34Å; D523-V525 PolarHBondContact O-N 3.15Å; V525-H531 WeakPolarHBondContact CA-ND1 3.27Å; V525-H531 HydrophobicContact CG1-CB 4.31Å; V525-H531 HydrophobicContact CG2-CB 4.41Å; V525-R536 HydrophobicContact CG1-CG 3.96Å; V525-D539 HydrophobicContact CB-CB 4.13Å; V525-D539 HydrophobicContact CG1-CB 3.71Å
526	H	77.7	Confident	76.8	Confident	127 Å²	127	66.2 Å²	66.2	59%	0.588	33%	0.331	S	S	*	.	H	α-helix	trans	-71.9	-38.2	177.3	-173.5	-83.4	0	0	0	112.8	C522 D523	C522-H526 WeakPolarHBondContact O-CB 3.45Å; C522-H526 PolarHBondContact O-N 2.99Å; D523-H526 PolarHBondContact O-N 3.32Å; D523-H526 VanDerWaalsContact O-N 3.17Å
527	Y	70.1	Confident	76.2	Confident	184 Å²	184	64.8 Å²	64.8	72%	0.722	33%	0.325	S	S	*	.	H	α-helix	trans	-93.9	-30.5	-176.1	-69	-64.4	0	0	0	114.9	D523	D523-Y527 WeakPolarHBondContact O-CD2 3.46Å; D523-Y527 PolarHBondContact O-N 2.99Å
528	A	63.1	Low	75.9	Confident	31 Å²	31	61.7 Å²	61.7	26%	0.256	31%	0.311	S	S	.	.			trans	-93.1	120.8	-175.5	0	0	0	0	0	113.1	E524 W530 H531	E524-A528 VanDerWaalsContact O-CB 3.25Å; E524-A528 WeakPolarHBondContact O-CB 3.44Å; E524-A528 PolarHBondContact O-N 2.99Å; A528-W530 PolarHBondContact O-N 3.35Å; A528-W530 VanDerWaalsContact O-N 3.14Å; A528-H531 PolarHBondContact O-N 2.76Å
529	T	56	Low	75.7	Confident	116 Å²	116	62.8 Å²	62.8	71%	0.712	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-13	-178	51.5	0	0	0	0	114.7	H531	T529-H531 VanDerWaalsContact C-N 3.33Å
530	W	54.1	Low	75.4	Confident	237 Å²	237	64.2 Å²	64.2	90%	0.898	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-14.5	-174.1	-42.9	-23.1	0	0	0	112.9	A528 G532	A528-W530 PolarHBondContact O-N 3.35Å; A528-W530 VanDerWaalsContact O-N 3.14Å; W530-G532 PolarHBondContact O-N 3.24Å
531	H	60.2	Low	75.1	Confident	44 Å²	44	61.6 Å²	61.6	20%	0.204	31%	0.308	C	S	.	.			trans	-71.2	117.2	-179.3	-75.7	116.9	0	0	0	112.4	E524 V525 A528 T529 T535 R536	E524-H531 PolarHBondContact O-CE1 2.86Å; E524-H531 PolarHBondContact O-ND1 2.78Å; V525-H531 WeakPolarHBondContact CA-ND1 3.27Å; V525-H531 HydrophobicContact CG1-CB 4.31Å; V525-H531 HydrophobicContact CG2-CB 4.41Å; A528-H531 PolarHBondContact O-N 2.76Å; T529-H531 VanDerWaalsContact C-N 3.33Å; H531-T535 WeakPolarHBondContact CB-OG1 3.26Å; H531-R536 PolarHBondContact O-NE 3.18Å; H531-R536 VanDerWaalsContact O-NE 3.09Å; H531-R536 PolarHBondContact O-NH2 3.12Å; H531-R536 VanDerWaalsContact O-NH2 3.16Å
532	G	65	Low	75.1	Confident	41 Å²	41	61.1 Å²	61.1	42%	0.423	31%	0.306	S	S	.	.			trans	-69	175.8	-178.3	0	0	0	0	0	114.4	W530 Y534 T535 R536	W530-G532 PolarHBondContact O-N 3.24Å; G532-Y534 PolarHBondContact O-N 2.89Å; G532-T535 PolarHBondContact N-OG1 2.96Å; G532-T535 PolarHBondContact O-N 3.28Å; G532-T535 PolarHBondContact O-OG1 3.37Å; G532-R536 PolarHBondContact O-N 3.46Å
533	A	67.4	Low	75.2	Confident	43 Å²	43	64.9 Å²	64.9	36%	0.355	32%	0.32	S	S	.	.	H	α-helix	trans	-60.6	-33.6	-176.1	0	0	0	0	0	113.1	S537 M640	A533-S537 PolarHBondContact O-N 2.69Å; A533-S537 VanDerWaalsContact O-N 3.08Å; A533-M640 HydrophobicContact CB-CB 4.3Å; A533-M640 HydrophobicContact CB-CG 3.9Å; A533-M640 HydrophobicContact CB-SD 4.2Å
534	Y	75.3	Confident	75.2	Confident	30 Å²	30	65.4 Å²	65.4	12%	0.118	32%	0.32	C	S	.	.	H	α-helix	trans	-68.3	-43.2	178.8	-55.9	-66.3	0	0	0	113.1	G532 R536 S537 L538 I612 M637 M640	G532-Y534 PolarHBondContact O-N 2.89Å; Y534-R536 VanDerWaalsContact C-N 3.34Å; Y534-R536 PolarHBondContact O-N 3.31Å; Y534-S537 WeakPolarHBondContact CA-OG 3.49Å; Y534-S537 PolarHBondContact O-N 3.02Å; Y534-S537 PolarHBondContact O-OG 2.77Å; Y534-L538 PolarHBondContact O-N 3.49Å; Y534-I612 HydrophobicContact CD1-CD1 3.96Å; Y534-I612 HydrophobicContact CD1-CG1 4.35Å; Y534-I612 HydrophobicContact CE1-CD1 3.62Å; Y534-I612 HydrophobicContact CE1-CG1 4.46Å; Y534-M637 HydrophobicContact CD1-CB 4.06Å; Y534-M637 HydrophobicContact CD1-CG 4.15Å; Y534-M640 HydrophobicContact CE1-CB 4.4Å
535	T	76	Confident	75.4	Confident	15 Å²	15	61.3 Å²	61.3	9%	0.092	30%	0.301	C	S	.	.	H	α-helix	trans	-69	-32.2	178.2	49.3	0	0	0	0	112	F521 H531 G532 L538 D539 T604	F521-T535 HydrophobicContact CZ-CG2 4.47Å; H531-T535 WeakPolarHBondContact CB-OG1 3.26Å; G532-T535 PolarHBondContact N-OG1 2.96Å; G532-T535 PolarHBondContact O-N 3.28Å; G532-T535 PolarHBondContact O-OG1 3.37Å; T535-L538 PolarHBondContact O-N 3.17Å; T535-D539 PolarHBondContact O-N 3.3Å; T535-T604 HydrophobicContact CG2-CG2 3.99Å
536	R	77.5	Confident	75.8	Confident	138 Å²	138	61.4 Å²	61.4	52%	0.521	30%	0.301	S	S	.	.	H	α-helix	trans	-66.8	-35.7	170.3	-62.5	-178.1	-159.8	-175.8	2.8	112.9	V525 H531 G532 Y534 L538 D539 C540	V525-R536 HydrophobicContact CG1-CG 3.96Å; H531-R536 PolarHBondContact O-NE 3.18Å; H531-R536 VanDerWaalsContact O-NE 3.09Å; H531-R536 PolarHBondContact O-NH2 3.12Å; H531-R536 VanDerWaalsContact O-NH2 3.16Å; G532-R536 PolarHBondContact O-N 3.46Å; Y534-R536 VanDerWaalsContact C-N 3.34Å; Y534-R536 PolarHBondContact O-N 3.31Å; R536-L538 VanDerWaalsContact C-N 3.28Å; R536-L538 PolarHBondContact O-N 3.38Å; R536-D539 PolarHBondContact O-N 3.06Å; R536-C540 PolarHBondContact O-N 2.78Å; R536-C540 VanDerWaalsContact O-N 3.13Å
537	S	76.2	Confident	76.4	Confident	12 Å²	12	59.9 Å²	59.9	8%	0.084	30%	0.298	C	S	.	.	H	α-helix	trans	-68.3	-29.4	174.1	71.7	0	0	0	0	112.9	A533 Y534 M637	A533-S537 PolarHBondContact O-N 2.69Å; A533-S537 VanDerWaalsContact O-N 3.08Å; Y534-S537 WeakPolarHBondContact CA-OG 3.49Å; Y534-S537 PolarHBondContact O-N 3.02Å; Y534-S537 PolarHBondContact O-OG 2.77Å; S537-M637 WeakPolarHBondContact OG-CG 3.39Å
538	L	83	Confident	77.3	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-76.1	-43.6	172.9	-175.3	63.4	0	0	0	112	F521 Y534 T535 R536 C540 A541 I542 L600 V601 T604 L611 T633 M637	F521-L538 HydrophobicContact CE1-CD2 4.17Å; F521-L538 HydrophobicContact CE1-CG 4.26Å; F521-L538 HydrophobicContact CZ-CD2 4.06Å; Y534-L538 PolarHBondContact O-N 3.49Å; T535-L538 PolarHBondContact O-N 3.17Å; R536-L538 VanDerWaalsContact C-N 3.28Å; R536-L538 PolarHBondContact O-N 3.38Å; L538-C540 VanDerWaalsContact C-N 3.32Å; L538-C540 PolarHBondContact O-N 3.08Å; L538-A541 WeakPolarHBondContact O-CB 3.2Å; L538-A541 PolarHBondContact O-N 3Å; L538-A541 VanDerWaalsContact O-N 3.14Å; L538-I542 HydrophobicContact CD1-CD1 4.24Å; L538-I542 HydrophobicContact CD1-CG1 4.4Å; L538-I542 HydrophobicContact CD2-CD1 4.31Å; L538-I542 HydrophobicContact CG-CD1 3.75Å; L538-I542 HydrophobicContact CG-CG1 4.35Å; L538-I542 WeakPolarHBondContact O-CG1 3.29Å; L538-I542 PolarHBondContact O-N 3.12Å; L538-L600 HydrophobicContact CD1-CB 4.06Å; L538-L600 HydrophobicContact CD1-CD1 4.08Å; L538-L600 HydrophobicContact CD2-CB 4.19Å; L538-V601 HydrophobicContact CD2-CG2 4.26Å; L538-T604 HydrophobicContact CD2-CG2 3.56Å; L538-L611 HydrophobicContact CD2-CD1 4.39Å; L538-T633 HydrophobicContact CD1-CG2 3.82Å; L538-M637 HydrophobicContact CB-CE 4.11Å; L538-M637 HydrophobicContact CD1-CE 4.43Å
539	D	86.1	Confident	78.7	Confident	23 Å²	23	51.5 Å²	51.5	12%	0.123	26%	0.264	C	S	.	.	H	α-helix	trans	-53	-47.3	173.4	166.7	73.3	0	0	0	112	F521 C522 V525 T535 R536 A541 I542 R543	F521-D539 HydrophobicContact CE1-CB 4.46Å; C522-D539 WeakPolarHBondContact CA-OD1 3.36Å; C522-D539 VanDerWaalsContact CB-OD1 3.31Å; C522-D539 WeakPolarHBondContact CB-OD1 3.47Å; C522-D539 PolarHBondContact SG-OD1 2.68Å; V525-D539 HydrophobicContact CB-CB 4.13Å; V525-D539 HydrophobicContact CG1-CB 3.71Å; T535-D539 PolarHBondContact O-N 3.3Å; R536-D539 PolarHBondContact O-N 3.06Å; D539-A541 VanDerWaalsContact C-N 3.31Å; D539-A541 PolarHBondContact O-N 3.45Å; D539-I542 PolarHBondContact O-N 3.44Å; D539-R543 VanDerWaalsContact CG-NE 3.32Å; D539-R543 WeakPolarHBondContact O-CB 3.24Å; D539-R543 WeakPolarHBondContact O-CG 3.4Å; D539-R543 PolarHBondContact O-N 2.87Å; D539-R543 IonicContact OD1-CZ 3.77Å; D539-R543 IonicContact OD1-NE 3.18Å; D539-R543 PolarHBondContact OD1-NE 2.87Å; D539-R543 IonicContact OD1-NH2 2.69Å; D539-R543 PolarHBondContact OD1-NH2 3.47Å; D539-R543 IonicContact OD2-NE 3.56Å; D539-R543 PolarHBondContact OD2-NE 3.21Å; D539-R543 VanDerWaalsContact OD2-NE 3.14Å
540	C	83.1	Confident	80.4	Confident	64 Å²	64	48.4 Å²	48.4	43%	0.432	24%	0.243	S	C	.	.	H	α-helix	trans	-59.1	-40.6	178	-173.9	0	0	0	0	112.7	R536 L538 Q544	R536-C540 PolarHBondContact O-N 2.78Å; R536-C540 VanDerWaalsContact O-N 3.13Å; L538-C540 VanDerWaalsContact C-N 3.32Å; L538-C540 PolarHBondContact O-N 3.08Å; C540-Q544 PolarHBondContact O-N 2.78Å
541	A	81.6	Confident	82.2	Confident	2 Å²	2	42.2 Å²	42.2	2%	0.017	22%	0.224	C	C	.	.	H	α-helix	trans	-69.9	-41.8	176.4	0	0	0	0	0	112.6	L538 D539 Q544 E545 Y632 T633	L538-A541 WeakPolarHBondContact O-CB 3.2Å; L538-A541 PolarHBondContact O-N 3Å; L538-A541 VanDerWaalsContact O-N 3.14Å; D539-A541 VanDerWaalsContact C-N 3.31Å; D539-A541 PolarHBondContact O-N 3.45Å; A541-Q544 WeakPolarHBondContact O-CB 3.29Å; A541-Q544 PolarHBondContact O-N 3Å; A541-E545 PolarHBondContact O-N 3.49Å; A541-Y632 HydrophobicContact CB-CD1 3.59Å; A541-Y632 HydrophobicContact CB-CE1 3.76Å; A541-T633 HydrophobicContact CB-CG2 3.35Å
542	I	87.6	Confident	83.6	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.7	-46.6	177.2	-68.7	166	0	0	0	110.1	L518 F521 C522 L538 D539 Q544 E545 L546 L597 V601	L518-I542 HydrophobicContact CB-CG2 3.84Å; L518-I542 HydrophobicContact CD1-CG2 4.45Å; L518-I542 HydrophobicContact CD2-CD1 4.16Å; L518-I542 HydrophobicContact CD2-CG1 4.45Å; L518-I542 HydrophobicContact CD2-CG2 4.21Å; L518-I542 HydrophobicContact CG-CG2 4.38Å; F521-I542 HydrophobicContact CD1-CD1 3.56Å; F521-I542 HydrophobicContact CE1-CD1 3.68Å; C522-I542 WeakPolarHBondContact SG-CG2 3.27Å; L538-I542 HydrophobicContact CD1-CD1 4.24Å; L538-I542 HydrophobicContact CD1-CG1 4.4Å; L538-I542 HydrophobicContact CD2-CD1 4.31Å; L538-I542 HydrophobicContact CG-CD1 3.75Å; L538-I542 HydrophobicContact CG-CG1 4.35Å; L538-I542 WeakPolarHBondContact O-CG1 3.29Å; L538-I542 PolarHBondContact O-N 3.12Å; D539-I542 PolarHBondContact O-N 3.44Å; I542-Q544 VanDerWaalsContact C-N 3.25Å; I542-Q544 PolarHBondContact O-N 3.46Å; I542-E545 PolarHBondContact O-N 2.93Å; I542-L546 HydrophobicContact CG2-CD1 3.62Å; I542-L546 HydrophobicContact CG2-CG 3.89Å; I542-L546 WeakPolarHBondContact O-CB 3.34Å; I542-L546 VanDerWaalsContact O-CG 3.3Å; I542-L546 WeakPolarHBondContact O-CG 3.34Å; I542-L546 PolarHBondContact O-N 3.14Å; I542-L597 HydrophobicContact CG1-CB 4.36Å; I542-L597 HydrophobicContact CG1-CD1 4.25Å; I542-L597 HydrophobicContact CG1-CD2 3.88Å; I542-L597 HydrophobicContact CG1-CG 4.39Å; I542-V601 HydrophobicContact CD1-CG2 3.44Å; I542-V601 VanDerWaalsContact CD1-CG2 3.44Å
543	R	89	Confident	84.8	Confident	80 Å²	80	39.6 Å²	39.6	30%	0.302	20%	0.202	S	C	.	.	H	α-helix	trans	-58.3	-35.6	177.4	-71.6	-179.8	-173.2	-81.3	-3.4	112.7	C522 D523 D539 N547	C522-R543 HydrophobicContact CB-CG 4.44Å; C522-R543 PolarHBondContact O-NH2 3.17Å; D523-R543 IonicContact OD1-NH2 3.41Å; D539-R543 VanDerWaalsContact CG-NE 3.32Å; D539-R543 WeakPolarHBondContact O-CB 3.24Å; D539-R543 WeakPolarHBondContact O-CG 3.4Å; D539-R543 PolarHBondContact O-N 2.87Å; D539-R543 IonicContact OD1-CZ 3.77Å; D539-R543 IonicContact OD1-NE 3.18Å; D539-R543 PolarHBondContact OD1-NE 2.87Å; D539-R543 IonicContact OD1-NH2 2.69Å; D539-R543 PolarHBondContact OD1-NH2 3.47Å; D539-R543 IonicContact OD2-NE 3.56Å; D539-R543 PolarHBondContact OD2-NE 3.21Å; D539-R543 VanDerWaalsContact OD2-NE 3.14Å; R543-N547 WeakPolarHBondContact O-CB 3.3Å; R543-N547 PolarHBondContact O-N 2.71Å; R543-N547 PolarHBondContact O-ND2 2.98Å
544	Q	86.3	Confident	85.9	Confident	76 Å²	76	41.9 Å²	41.9	36%	0.355	21%	0.211	S	C	.	.	H	α-helix	trans	-62.7	-51	176.1	-170.5	-176.5	-74.2	0	0	111.7	C540 A541 I542 N547 S548	C540-Q544 PolarHBondContact O-N 2.78Å; A541-Q544 WeakPolarHBondContact O-CB 3.29Å; A541-Q544 PolarHBondContact O-N 3Å; I542-Q544 VanDerWaalsContact C-N 3.25Å; I542-Q544 PolarHBondContact O-N 3.46Å; Q544-N547 WeakPolarHBondContact O-CB 3.24Å; Q544-N547 PolarHBondContact O-N 3.43Å; Q544-S548 PolarHBondContact O-N 2.73Å
545	E	86.8	Confident	86.6	Confident	14 Å²	14	45.4 Å²	45.4	7%	0.065	23%	0.227	C	C	.	.	H	α-helix	trans	-74.2	-31.3	-177.9	-55.1	-58.5	131.2	0	0	112.2	A541 I542 N547 S548 Y549 L597 I629	A541-E545 PolarHBondContact O-N 3.49Å; I542-E545 PolarHBondContact O-N 2.93Å; E545-N547 VanDerWaalsContact C-N 3.34Å; E545-N547 PolarHBondContact O-N 2.92Å; E545-S548 PolarHBondContact O-N 2.78Å; E545-Y549 PolarHBondContact O-N 2.81Å; E545-L597 HydrophobicContact CB-CD1 3.88Å; E545-L597 HydrophobicContact CG-CD1 4.11Å; E545-I629 HydrophobicContact CG-CD1 3.9Å; E545-I629 HydrophobicContact CG-CG1 4.01Å
546	L	90.4	Very high	87.1	Confident	12 Å²	12	44.7 Å²	44.7	6%	0.063	22%	0.222	C	C	.	.	H	α-helix	trans	-62.8	-37.8	170.5	-72.3	-179	0	0	0	112.1	Y515 L518 I542 Y549 L550 L594	Y515-L546 HydrophobicContact CD2-CD2 3.7Å; Y515-L546 HydrophobicContact CE2-CD2 4.1Å; L518-L546 HydrophobicContact CB-CD1 4.12Å; L518-L546 HydrophobicContact CB-CD2 4.04Å; L518-L546 HydrophobicContact CB-CG 4.45Å; L518-L546 HydrophobicContact CD1-CD2 4.22Å; I542-L546 HydrophobicContact CG2-CD1 3.62Å; I542-L546 HydrophobicContact CG2-CG 3.89Å; I542-L546 WeakPolarHBondContact O-CB 3.34Å; I542-L546 VanDerWaalsContact O-CG 3.3Å; I542-L546 WeakPolarHBondContact O-CG 3.34Å; I542-L546 PolarHBondContact O-N 3.14Å; L546-Y549 PolarHBondContact O-N 3.42Å; L546-L550 WeakPolarHBondContact O-CG 3.34Å; L546-L550 PolarHBondContact O-N 3.23Å; L546-L594 HydrophobicContact CD2-CD2 4.34Å
547	N	90.4	Very high	87.6	Confident	96 Å²	96	42.2 Å²	42.2	51%	0.513	22%	0.217	S	C	.	.	H	α-helix	trans	-63.1	-42.6	173	-71.7	-22	0	0	0	111.2	R543 Q544 E545 Y549 L550 E551	R543-N547 WeakPolarHBondContact O-CB 3.3Å; R543-N547 PolarHBondContact O-N 2.71Å; R543-N547 PolarHBondContact O-ND2 2.98Å; Q544-N547 WeakPolarHBondContact O-CB 3.24Å; Q544-N547 PolarHBondContact O-N 3.43Å; E545-N547 VanDerWaalsContact C-N 3.34Å; E545-N547 PolarHBondContact O-N 2.92Å; N547-Y549 VanDerWaalsContact C-N 3.34Å; N547-Y549 PolarHBondContact O-N 2.68Å; N547-L550 PolarHBondContact O-N 3Å; N547-E551 PolarHBondContact O-N 2.71Å
548	S	88.7	Confident	88.1	Confident	38 Å²	38	44.3 Å²	44.3	27%	0.266	23%	0.231	S	C	.	.	H	α-helix	trans	-67	-31.2	176	-62	0	0	0	0	113.4	Q544 E545 I552	Q544-S548 PolarHBondContact O-N 2.73Å; E545-S548 PolarHBondContact O-N 2.78Å; S548-I552 WeakPolarHBondContact O-CG1 3.49Å; S548-I552 PolarHBondContact O-N 3.29Å
549	Y	91.7	Very high	88.2	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.8	-45.9	168.6	171.8	-95.8	0	0	0	111.6	L473 Y515 E545 L546 N547 E551 I552 L553 L587 M590 L594	L473-Y549 PolarHBondContact O-OH 3.48Å; Y515-Y549 AromaticContact CD2-CD1 3.44Å; Y515-Y549 HydrophobicContact CD2-CD1 3.44Å; Y515-Y549 VanDerWaalsContact CD2-CD1 3.44Å; Y515-Y549 AromaticContact CD2-CE1 3.35Å; Y515-Y549 HydrophobicContact CD2-CE1 3.35Å; Y515-Y549 AromaticContact CE2-CD1 3.94Å; Y515-Y549 HydrophobicContact CE2-CD1 3.94Å; Y515-Y549 HydrophobicContact CE2-CE1 4.05Å; Y515-Y549 HydrophobicContact CG-CD1 4.26Å; Y515-Y549 AromaticContact CG-CE1 3.71Å; Y515-Y549 HydrophobicContact CG-CE1 3.71Å; E545-Y549 PolarHBondContact O-N 2.81Å; L546-Y549 PolarHBondContact O-N 3.42Å; N547-Y549 VanDerWaalsContact C-N 3.34Å; N547-Y549 PolarHBondContact O-N 2.68Å; Y549-E551 PolarHBondContact O-N 3Å; Y549-I552 WeakPolarHBondContact O-CB 3.38Å; Y549-I552 PolarHBondContact O-N 3.32Å; Y549-I552 VanDerWaalsContact O-N 3.09Å; Y549-L553 HydrophobicContact CD1-CD1 4.21Å; Y549-L553 HydrophobicContact CE1-CD1 3.57Å; Y549-L553 HydrophobicContact CE1-CG 4.18Å; Y549-L553 PolarHBondContact O-N 3.26Å; Y549-L553 VanDerWaalsContact O-N 3.1Å; Y549-L587 HydrophobicContact CD2-CD2 4.29Å; Y549-L587 HydrophobicContact CE2-CD2 3.8Å; Y549-M590 HydrophobicContact CD2-CB 4.37Å; Y549-M590 HydrophobicContact CD2-CG 4.46Å; Y549-L594 HydrophobicContact CD2-CD1 4.03Å; Y549-L594 HydrophobicContact CE2-CD1 4.13Å
550	L	91.4	Very high	88.1	Confident	52 Å²	52	48.4 Å²	48.4	27%	0.272	25%	0.248	S	C	.	.	H	α-helix	trans	-63.5	-37.8	176.4	-70.5	171.3	0	0	0	112.5	Y515 L546 N547 I552 L553 V554	Y515-L550 HydrophobicContact CE2-CD1 4.38Å; Y515-L550 HydrophobicContact CE2-CD2 3.96Å; Y515-L550 HydrophobicContact CE2-CG 4.11Å; L546-L550 WeakPolarHBondContact O-CG 3.34Å; L546-L550 PolarHBondContact O-N 3.23Å; N547-L550 PolarHBondContact O-N 3Å; L550-I552 VanDerWaalsContact C-N 3.25Å; L550-I552 PolarHBondContact O-N 2.69Å; L550-L553 HydrophobicContact CD2-CD1 4.48Å; L550-L553 PolarHBondContact O-N 3.01Å; L550-L553 VanDerWaalsContact O-N 3.17Å; L550-V554 WeakPolarHBondContact O-CG2 3.29Å; L550-V554 PolarHBondContact O-N 3.46Å
551	E	92	Very high	88.1	Confident	107 Å²	107	50.8 Å²	50.8	50%	0.5	25%	0.251	S	S	.	.	H	α-helix	trans	-59.7	-33.1	171.8	-80	-174.5	-144.1	0	0	113.3	N547 Y549 K555	N547-E551 PolarHBondContact O-N 2.71Å; Y549-E551 PolarHBondContact O-N 3Å; E551-K555 VanDerWaalsContact O-CD 3.23Å; E551-K555 WeakPolarHBondContact O-CD 3.39Å; E551-K555 WeakPolarHBondContact O-CE 3.47Å; E551-K555 VanDerWaalsContact O-CG 3.26Å; E551-K555 WeakPolarHBondContact O-CG 3.44Å; E551-K555 PolarHBondContact O-N 2.97Å; E551-K555 IonicContact OE2-NZ 2.6Å; E551-K555 PolarHBondContact OE2-NZ 3.16Å
552	I	90.3	Very high	88.1	Confident	29 Å²	29	57 Å²	57	15%	0.149	28%	0.279	C	S	.	.	H	α-helix	trans	-71.8	-41.9	175	-69.1	166.7	0	0	0	110	S548 Y549 L550 V554 K555 M556 L587 M590	S548-I552 WeakPolarHBondContact O-CG1 3.49Å; S548-I552 PolarHBondContact O-N 3.29Å; Y549-I552 WeakPolarHBondContact O-CB 3.38Å; Y549-I552 PolarHBondContact O-N 3.32Å; Y549-I552 VanDerWaalsContact O-N 3.09Å; L550-I552 VanDerWaalsContact C-N 3.25Å; L550-I552 PolarHBondContact O-N 2.69Å; I552-V554 PolarHBondContact O-N 3.32Å; I552-K555 WeakPolarHBondContact O-CB 3.27Å; I552-K555 PolarHBondContact O-N 2.66Å; I552-M556 HydrophobicContact CG2-CE 3.5Å; I552-M556 VanDerWaalsContact CG2-CE 3.5Å; I552-M556 WeakPolarHBondContact O-CG 3.41Å; I552-M556 PolarHBondContact O-N 3.23Å; I552-L587 HydrophobicContact CG2-CD2 4.39Å; I552-M590 HydrophobicContact CD1-CE 3.67Å; I552-M590 HydrophobicContact CD1-CG 3.76Å
553	L	90.8	Very high	87.5	Confident	1 Å²	1	60 Å²	60	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-63.9	-38.7	176.1	-61.5	-170.5	0	0	0	112.5	L473 Q474 Y549 L550 K555 M556 E557 L587	L473-L553 HydrophobicContact CB-CD1 3.92Å; L473-L553 HydrophobicContact CB-CD2 3.87Å; L473-L553 HydrophobicContact CD1-CD2 4.09Å; Q474-L553 HydrophobicContact CB-CD1 4.48Å; Q474-L553 HydrophobicContact CG-CD1 3.61Å; Y549-L553 HydrophobicContact CD1-CD1 4.21Å; Y549-L553 HydrophobicContact CE1-CD1 3.57Å; Y549-L553 HydrophobicContact CE1-CG 4.18Å; Y549-L553 PolarHBondContact O-N 3.26Å; Y549-L553 VanDerWaalsContact O-N 3.1Å; L550-L553 HydrophobicContact CD2-CD1 4.48Å; L550-L553 PolarHBondContact O-N 3.01Å; L550-L553 VanDerWaalsContact O-N 3.17Å; L553-K555 VanDerWaalsContact C-N 3.3Å; L553-K555 PolarHBondContact O-N 3.39Å; L553-M556 HydrophobicContact CD2-CE 4.46Å; L553-M556 HydrophobicContact CD2-SD 3.69Å; L553-M556 WeakPolarHBondContact O-CB 3.29Å; L553-M556 PolarHBondContact O-N 2.98Å; L553-E557 PolarHBondContact O-N 3.41Å; L553-L587 HydrophobicContact CD2-CD2 4.04Å
554	V	90.4	Very high	86.5	Confident	91 Å²	91	58.1 Å²	58.1	55%	0.552	29%	0.292	S	S	*	.	H	α-helix	trans	-63	-37	174.3	171.3	0	0	0	0	111.4	L550 I552 E557 S558	L550-V554 WeakPolarHBondContact O-CG2 3.29Å; L550-V554 PolarHBondContact O-N 3.46Å; I552-V554 PolarHBondContact O-N 3.32Å; V554-E557 PolarHBondContact O-N 3.36Å; V554-S558 PolarHBondContact O-N 3.29Å; V554-S558 PolarHBondContact O-OG 3.1Å
555	K	89.2	Confident	85.5	Confident	103 Å²	103	61.2 Å²	61.2	45%	0.448	31%	0.306	S	S	.	.	H	α-helix	trans	-66.4	-42.2	174.8	-69.8	158.1	-165.9	153.2	0	111.5	E551 I552 L553 E557 S558 E559	E551-K555 VanDerWaalsContact O-CD 3.23Å; E551-K555 WeakPolarHBondContact O-CD 3.39Å; E551-K555 WeakPolarHBondContact O-CE 3.47Å; E551-K555 VanDerWaalsContact O-CG 3.26Å; E551-K555 WeakPolarHBondContact O-CG 3.44Å; E551-K555 PolarHBondContact O-N 2.97Å; E551-K555 IonicContact OE2-NZ 2.6Å; E551-K555 PolarHBondContact OE2-NZ 3.16Å; I552-K555 WeakPolarHBondContact O-CB 3.27Å; I552-K555 PolarHBondContact O-N 2.66Å; L553-K555 VanDerWaalsContact C-N 3.3Å; L553-K555 PolarHBondContact O-N 3.39Å; K555-E557 VanDerWaalsContact C-N 3.33Å; K555-E557 PolarHBondContact O-N 3.23Å; K555-S558 WeakPolarHBondContact CA-OG 3.05Å; K555-S558 PolarHBondContact O-N 3.23Å; K555-S558 PolarHBondContact O-OG 3.16Å; K555-E559 PolarHBondContact O-N 3.4Å
556	M	87.6	Confident	84	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-60.8	-40.4	172.2	-66.8	168.4	-175.5	0	0	112.4	I470 I552 L553 E559 W560 L578 V583 M586 L587	I470-M556 HydrophobicContact CD1-CB 4.21Å; I470-M556 HydrophobicContact CG1-CB 4.47Å; I552-M556 HydrophobicContact CG2-CE 3.5Å; I552-M556 VanDerWaalsContact CG2-CE 3.5Å; I552-M556 WeakPolarHBondContact O-CG 3.41Å; I552-M556 PolarHBondContact O-N 3.23Å; L553-M556 HydrophobicContact CD2-CE 4.46Å; L553-M556 HydrophobicContact CD2-SD 3.69Å; L553-M556 WeakPolarHBondContact O-CB 3.29Å; L553-M556 PolarHBondContact O-N 2.98Å; M556-E559 PolarHBondContact O-N 2.9Å; M556-W560 WeakPolarHBondContact O-CB 3.07Å; M556-W560 PolarHBondContact O-N 3.45Å; M556-L578 HydrophobicContact CB-CD2 4.39Å; M556-V583 HydrophobicContact CE-CG1 4.31Å; M556-V583 HydrophobicContact SD-CG1 4.11Å; M556-M586 HydrophobicContact CE-CB 3.38Å; M556-M586 HydrophobicContact CE-CG 4.47Å; M556-M586 HydrophobicContact CE-SD 4.36Å; M556-M586 HydrophobicContact CG-CE 3.72Å; M556-M586 HydrophobicContact CG-SD 3.9Å; M556-L587 HydrophobicContact CE-CD2 3.69Å; M556-L587 HydrophobicContact CE-CG 3.57Å
557	E	87	Confident	82.2	Confident	87 Å²	87	73.1 Å²	73.1	41%	0.407	35%	0.354	S	S	.	.	H	α-helix	trans	-65.1	-40.2	178.5	-164.4	-179.9	152	0	0	111.3	I470 L553 V554 K555 K561	I470-E557 HydrophobicContact CG2-CB 4.42Å; L553-E557 PolarHBondContact O-N 3.41Å; V554-E557 PolarHBondContact O-N 3.36Å; K555-E557 VanDerWaalsContact C-N 3.33Å; K555-E557 PolarHBondContact O-N 3.23Å; E557-K561 WeakPolarHBondContact O-CB 3.4Å; E557-K561 PolarHBondContact O-N 3.29Å
558	S	86.4	Confident	80.3	Confident	55 Å²	55	74.2 Å²	74.2	39%	0.385	36%	0.36	S	S	.	.	H	α-helix	trans	-65.7	-45.9	171.5	48.8	0	0	0	0	113.1	V554 K555 W560 K561 E562	V554-S558 PolarHBondContact O-N 3.29Å; V554-S558 PolarHBondContact O-OG 3.1Å; K555-S558 WeakPolarHBondContact CA-OG 3.05Å; K555-S558 PolarHBondContact O-N 3.23Å; K555-S558 PolarHBondContact O-OG 3.16Å; S558-W560 PolarHBondContact O-N 2.84Å; S558-K561 PolarHBondContact O-N 2.96Å; S558-E562 WeakPolarHBondContact O-CG 3.49Å; S558-E562 PolarHBondContact O-N 2.9Å
559	E	84.7	Confident	78.4	Confident	64 Å²	64	81.2 Å²	81.2	30%	0.299	39%	0.388	S	S	.	.	H	α-helix	trans	-63.8	-40.9	177.5	-82	-167.9	-134.1	0	0	112.4	K555 M556 K561 K563 M586	K555-E559 PolarHBondContact O-N 3.4Å; M556-E559 PolarHBondContact O-N 2.9Å; E559-K561 VanDerWaalsContact C-N 3.34Å; E559-K563 WeakPolarHBondContact O-CB 3.46Å; E559-K563 WeakPolarHBondContact O-CG 3.41Å; E559-K563 PolarHBondContact O-N 2.88Å; E559-K563 IonicContact OE2-NZ 3.49Å; E559-K563 PolarHBondContact OE2-NZ 3.02Å; E559-M586 VanDerWaalsContact OE1-CE 3.23Å; E559-M586 WeakPolarHBondContact OE1-CE 3.03Å
560	W	84.6	Confident	76.1	Confident	45 Å²	45	90.2 Å²	90.2	17%	0.17	43%	0.43	C	S	.	.	H	α-helix	trans	-60.1	-45.8	174.4	168.3	78.3	0	0	0	110.8	Q463 H467 I470 M556 S558 K563 S564 L578	Q463-W560 PolarHBondContact O-NE1 3.3Å; H467-W560 HydrophobicContact CB-CD2 4.49Å; H467-W560 HydrophobicContact CB-CH2 4.18Å; H467-W560 HydrophobicContact CB-CZ2 3.64Å; H467-W560 AromaticContact CD2-CH2 3.46Å; H467-W560 VanDerWaalsContact CD2-CH2 3.46Å; H467-W560 WeakPolarHBondContact CD2-CH2 3.39Å; H467-W560 AromaticContact CD2-CZ2 3.87Å; H467-W560 AromaticContact CD2-CZ3 3.63Å; I470-W560 HydrophobicContact CD1-CB 3.89Å; I470-W560 HydrophobicContact CD1-CG 4.19Å; M556-W560 WeakPolarHBondContact O-CB 3.07Å; M556-W560 PolarHBondContact O-N 3.45Å; S558-W560 PolarHBondContact O-N 2.84Å; W560-K563 PolarHBondContact O-N 3.21Å; W560-S564 WeakPolarHBondContact O-CB 3.42Å; W560-S564 PolarHBondContact O-N 3.47Å; W560-L578 HydrophobicContact CB-CB 4.45Å; W560-L578 HydrophobicContact CB-CD2 3.89Å
561	K	83	Confident	73.8	Confident	114 Å²	114	90.4 Å²	90.4	50%	0.496	44%	0.436	S	S	.	.	H	α-helix	trans	-64.1	-48.8	179.7	-174.8	178.1	173.3	-176.4	0	111.6	E557 S558 E559 S564 E565	E557-K561 WeakPolarHBondContact O-CB 3.4Å; E557-K561 PolarHBondContact O-N 3.29Å; S558-K561 PolarHBondContact O-N 2.96Å; E559-K561 VanDerWaalsContact C-N 3.34Å; K561-S564 PolarHBondContact O-N 3.42Å; K561-S564 VanDerWaalsContact O-N 3.14Å; K561-E565 WeakPolarHBondContact CE-OE1 3.43Å; K561-E565 IonicContact NZ-OE1 3.73Å; K561-E565 PolarHBondContact O-N 3.32Å
562	E	81.5	Confident	71.3	Confident	133 Å²	133	91.6 Å²	91.6	62%	0.621	45%	0.45	S	S	*	.	H	α-helix	trans	-59.1	-49.7	175.9	-72.5	-179.6	-176.6	0	0	111.3	S558 S564 E565 Y566	S558-E562 WeakPolarHBondContact O-CG 3.49Å; S558-E562 PolarHBondContact O-N 2.9Å; E562-S564 PolarHBondContact O-N 3.15Å; E562-E565 PolarHBondContact O-N 3.17Å; E562-Y566 WeakPolarHBondContact O-CD2 3.39Å
563	K	74.6	Confident	68.8	Low	62 Å²	62	97.6 Å²	97.6	27%	0.27	48%	0.482	S	S	.	.	H	α-helix	trans	-65.1	-18.9	177	-70.8	169.8	173.3	169	0	113.2	E559 W560 L578 E582	E559-K563 WeakPolarHBondContact O-CB 3.46Å; E559-K563 WeakPolarHBondContact O-CG 3.41Å; E559-K563 PolarHBondContact O-N 2.88Å; E559-K563 IonicContact OE2-NZ 3.49Å; E559-K563 PolarHBondContact OE2-NZ 3.02Å; W560-K563 PolarHBondContact O-N 3.21Å; K563-L578 HydrophobicContact CD-CB 4.06Å; K563-L578 HydrophobicContact CD-CD1 4.45Å; K563-E582 IonicContact NZ-OE1 3.32Å; K563-E582 PolarHBondContact NZ-OE1 3.48Å; K563-E582 IonicContact NZ-OE2 3.81Å; K563-E582 PolarHBondContact NZ-OE2 3.45Å
564	S	68.6	Low	66.2	Low	41 Å²	41	104.7 Å²	104.7	29%	0.287	52%	0.52	S	S	.	.	H	α-helix	trans	-92.7	-24.7	178.7	-171.2	0	0	0	0	114.1	W560 K561 E562 Y566	W560-S564 WeakPolarHBondContact O-CB 3.42Å; W560-S564 PolarHBondContact O-N 3.47Å; K561-S564 PolarHBondContact O-N 3.42Å; K561-S564 VanDerWaalsContact O-N 3.14Å; E562-S564 PolarHBondContact O-N 3.15Å; S564-Y566 VanDerWaalsContact C-N 3.32Å; S564-Y566 PolarHBondContact O-N 3.39Å
565	E	64.4	Low	64.2	Low	142 Å²	142	105.2 Å²	105.2	66%	0.664	52%	0.516	S	S	*	.	H	α-helix	trans	-75.7	-16.8	-177.8	-77.4	-177.5	-173	0	0	113.5	K561 E562	K561-E565 WeakPolarHBondContact CE-OE1 3.43Å; K561-E565 IonicContact NZ-OE1 3.73Å; K561-E565 PolarHBondContact O-N 3.32Å; E562-E565 PolarHBondContact O-N 3.17Å
566	Y	57.4	Low	62.5	Low	171 Å²	171	106.2 Å²	106.2	67%	0.671	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-6.3	175.9	-69.9	-83.1	0	0	0	114.9	E562 S564 N568	E562-Y566 WeakPolarHBondContact O-CD2 3.39Å; S564-Y566 VanDerWaalsContact C-N 3.32Å; S564-Y566 PolarHBondContact O-N 3.39Å; Y566-N568 PolarHBondContact O-N 2.9Å; Y566-N568 PolarHBondContact O-ND2 3.03Å; Y566-N568 VanDerWaalsContact O-ND2 3.09Å
567	F	52.4	Low	61.4	Low	104 Å²	104	106.3 Å²	106.3	46%	0.456	53%	0.526	S	S	.	.			trans	-73.5	91.3	-163.4	-157	-81.5	0	0	0	113.7	E575	F567-E575 WeakPolarHBondContact CE2-O 3.44Å
568	N	49	Very low	60.9	Low	120 Å²	120	102.2 Å²	102.2	64%	0.642	51%	0.507	S	S	*	.			trans	-90.8	126.9	174.5	-72.3	-78.4	0	0	0	111.4	Y566 E570 S571	Y566-N568 PolarHBondContact O-N 2.9Å; Y566-N568 PolarHBondContact O-ND2 3.03Å; Y566-N568 VanDerWaalsContact O-ND2 3.09Å; N568-E570 PolarHBondContact O-N 3.2Å; N568-S571 PolarHBondContact O-N 3.05Å
569	E	49	Very low	60.7	Low	185 Å²	185	102.4 Å²	102.4	86%	0.864	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-11.3	-171.6	-62.9	-167.9	129.4	0	0	115.5
570	E	44.6	Very low	60.6	Low	188 Å²	188	99.5 Å²	99.5	88%	0.879	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-8.4	-179.9	-58.8	-170.7	139.5	0	0	113.9	N568 V572	N568-E570 PolarHBondContact O-N 3.2Å; E570-V572 PolarHBondContact O-N 2.95Å; E570-V572 VanDerWaalsContact O-N 3.17Å
571	S	41.4	Very low	60.5	Low	56 Å²	56	102.2 Å²	102.2	39%	0.392	51%	0.505	S	S	.	.			trans	-89.1	71.1	-176	-166.2	0	0	0	0	113.1	N568 L573	N568-S571 PolarHBondContact O-N 3.05Å; S571-L573 PolarHBondContact O-N 3.35Å
572	V	40.6	Very low	60.6	Low	132 Å²	132	99.9 Å²	99.9	80%	0.8	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-10	-168.4	-179.3	0	0	0	0	115.7	E570	E570-V572 PolarHBondContact O-N 2.95Å; E570-V572 VanDerWaalsContact O-N 3.17Å
573	L	36.9	Very low	60.8	Low	155 Å²	155	93.6 Å²	93.6	81%	0.812	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.5	-6.8	-163.9	-86.6	167.7	0	0	0	119.1	S571	S571-L573 PolarHBondContact O-N 3.35Å
574	N	37.3	Very low	61.4	Low	150 Å²	150	92.3 Å²	92.3	80%	0.802	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.3	-13.5	-170.4	-94.3	-20.4	0	0	0	118.1
575	E	48.6	Very low	62.3	Low	102 Å²	102	96.5 Å²	96.5	48%	0.477	48%	0.48	S	S	.	.			trans	-127.5	74.3	-172	-70.3	176.7	165.6	0	0	111.9	F567	F567-E575 WeakPolarHBondContact CE2-O 3.44Å
576	I	53.6	Low	63.4	Low	125 Å²	125	92 Å²	92	64%	0.641	46%	0.459	S	S	*	.			trans	-90.4	106	171.4	-47.8	175.7	0	0	0	108.4	L579	I576-L579 HydrophobicContact CG2-CD2 3.68Å; I576-L579 HydrophobicContact CG2-CG 4.38Å
577	G	63.3	Low	65	Low	2 Å²	2	83.9 Å²	83.9	2%	0.021	43%	0.427	C	S	.	.			trans	-67.2	168.9	175.4	0	0	0	0	0	113.8	Q463 L579	Q463-G577 PolarHBondContact NE2-O 2.95Å; G577-L579 PolarHBondContact O-N 3.14Å
578	L	76.6	Confident	66.7	Low	0 Å²	0	85.1 Å²	85.1	0%	0	43%	0.429	C	S	.	.	S	Bend	trans	-25.4	111	-159.4	-171.7	69.5	0	0	0	115.6	V466 I470 M556 W560 K563 E582 V583	V466-L578 HydrophobicContact CG1-CB 4.18Å; V466-L578 HydrophobicContact CG1-CD2 3.96Å; V466-L578 HydrophobicContact CG1-CG 4.27Å; V466-L578 WeakPolarHBondContact CG2-O 3.03Å; I470-L578 HydrophobicContact CD1-CD2 4.25Å; M556-L578 HydrophobicContact CB-CD2 4.39Å; W560-L578 HydrophobicContact CB-CB 4.45Å; W560-L578 HydrophobicContact CB-CD2 3.89Å; K563-L578 HydrophobicContact CD-CB 4.06Å; K563-L578 HydrophobicContact CD-CD1 4.45Å; L578-E582 WeakPolarHBondContact CA-OE2 3.47Å; L578-E582 HydrophobicContact CD1-CB 3.9Å; L578-V583 HydrophobicContact CD2-CG2 3.85Å; L578-V583 HydrophobicContact CG-CG2 3.95Å
579	L	82.3	Confident	68.4	Low	59 Å²	59	83.5 Å²	83.5	31%	0.309	43%	0.425	S	S	.	.			trans	-78.2	150	-178.3	-72.6	171.4	0	0	0	112.1	Y462 I576 G577 E581 E582 V583	Y462-L579 WeakPolarHBondContact OH-CA 3.44Å; I576-L579 HydrophobicContact CG2-CD2 3.68Å; I576-L579 HydrophobicContact CG2-CG 4.38Å; G577-L579 PolarHBondContact O-N 3.14Å; L579-E581 PolarHBondContact O-N 3.25Å; L579-E582 HydrophobicContact CB-CB 4.38Å; L579-E582 HydrophobicContact CB-CG 4.08Å; L579-E582 PolarHBondContact N-OE2 3.07Å; L579-E582 WeakPolarHBondContact O-CB 3.3Å; L579-E582 PolarHBondContact O-N 3.27Å; L579-V583 WeakPolarHBondContact O-CG2 3.44Å; L579-V583 PolarHBondContact O-N 3.06Å
580	F	83.8	Confident	70.2	Confident	3 Å²	3	75.7 Å²	75.7	1%	0.013	39%	0.389	C	S	.	.	H	α-helix	trans	-65.3	-27.1	174.5	-67.2	-65.7	0	0	0	112.1	Y462 I465 V466 C469 V501 I504 L505 L508 V583 E584	Y462-F580 HydrophobicContact CD2-CE2 4.26Å; Y462-F580 AromaticContact CE2-CD2 3.79Å; Y462-F580 HydrophobicContact CE2-CD2 3.79Å; Y462-F580 AromaticContact CE2-CE2 3.43Å; Y462-F580 HydrophobicContact CE2-CE2 3.43Å; Y462-F580 VanDerWaalsContact CE2-CE2 3.43Å; Y462-F580 HydrophobicContact CE2-CZ 4.4Å; Y462-F580 AromaticContact CZ-CD2 3.79Å; Y462-F580 AromaticContact CZ-CE2 3.69Å; Y462-F580 WeakPolarHBondContact OH-CD2 3.45Å; Y462-F580 PolarHBondContact OH-N 2.96Å; Y462-F580 VanDerWaalsContact OH-N 3.14Å; I465-F580 HydrophobicContact CB-CZ 4.36Å; I465-F580 HydrophobicContact CG2-CZ 3.88Å; V466-F580 HydrophobicContact CG2-CE1 3.9Å; V466-F580 HydrophobicContact CG2-CE2 4.36Å; V466-F580 HydrophobicContact CG2-CZ 3.8Å; C469-F580 HydrophobicContact CB-CE1 3.95Å; V501-F580 HydrophobicContact CG1-CE2 3.94Å; V501-F580 HydrophobicContact CG1-CZ 4.25Å; I504-F580 HydrophobicContact CG2-CB 3.6Å; I504-F580 HydrophobicContact CG2-CG 4.14Å; L505-F580 HydrophobicContact CD2-CD1 4.33Å; L505-F580 HydrophobicContact CD2-CE1 3.72Å; L505-F580 HydrophobicContact CD2-CZ 4.2Å; L508-F580 HydrophobicContact CD1-CB 4.44Å; L508-F580 HydrophobicContact CD1-CD1 3.97Å; F580-V583 PolarHBondContact O-N 3.06Å; F580-E584 PolarHBondContact O-N 3.36Å
581	E	82.4	Confident	72.1	Confident	103 Å²	103	70.1 Å²	70.1	48%	0.481	36%	0.362	S	S	.	.	H	α-helix	trans	-66	-38.7	171	-65.5	75.1	-169.9	0	0	111.8	L579 E584 L585	L579-E581 PolarHBondContact O-N 3.25Å; E581-E584 PolarHBondContact O-N 2.9Å; E581-L585 WeakPolarHBondContact O-CB 3.49Å; E581-L585 WeakPolarHBondContact O-CD1 3.01Å; E581-L585 VanDerWaalsContact O-CG 3.27Å; E581-L585 WeakPolarHBondContact O-CG 3.07Å; E581-L585 PolarHBondContact O-N 3.11Å
582	E	84.6	Confident	74.1	Confident	64 Å²	64	71 Å²	71	30%	0.299	36%	0.362	S	S	.	.	H	α-helix	trans	-64.6	-45.1	171.2	-69.6	178.7	120.2	0	0	110.3	K563 L578 L579 E584 L585 M586	K563-E582 IonicContact NZ-OE1 3.32Å; K563-E582 PolarHBondContact NZ-OE1 3.48Å; K563-E582 IonicContact NZ-OE2 3.81Å; K563-E582 PolarHBondContact NZ-OE2 3.45Å; L578-E582 WeakPolarHBondContact CA-OE2 3.47Å; L578-E582 HydrophobicContact CD1-CB 3.9Å; L579-E582 HydrophobicContact CB-CB 4.38Å; L579-E582 HydrophobicContact CB-CG 4.08Å; L579-E582 PolarHBondContact N-OE2 3.07Å; L579-E582 WeakPolarHBondContact O-CB 3.3Å; L579-E582 PolarHBondContact O-N 3.27Å; E582-E584 PolarHBondContact O-N 3.12Å; E582-L585 PolarHBondContact O-N 3.06Å; E582-M586 WeakPolarHBondContact O-CB 3.43Å; E582-M586 VanDerWaalsContact O-CG 3.28Å; E582-M586 WeakPolarHBondContact O-CG 3.48Å; E582-M586 PolarHBondContact O-N 2.91Å
583	V	86.4	Confident	76.2	Confident	1 Å²	1	65 Å²	65	1%	0.006	33%	0.326	C	S	.	.	H	α-helix	trans	-59	-43.8	176	178.3	0	0	0	0	111.9	L473 L508 M556 L578 L579 F580 M586 L587	L473-V583 HydrophobicContact CD1-CG1 3.92Å; L508-V583 HydrophobicContact CD1-CG1 4.19Å; L508-V583 HydrophobicContact CD2-CG1 4.25Å; M556-V583 HydrophobicContact CE-CG1 4.31Å; M556-V583 HydrophobicContact SD-CG1 4.11Å; L578-V583 HydrophobicContact CD2-CG2 3.85Å; L578-V583 HydrophobicContact CG-CG2 3.95Å; L579-V583 WeakPolarHBondContact O-CG2 3.44Å; L579-V583 PolarHBondContact O-N 3.06Å; F580-V583 PolarHBondContact O-N 3.06Å; V583-M586 PolarHBondContact O-N 3.49Å; V583-L587 HydrophobicContact CG1-CD1 4.15Å; V583-L587 WeakPolarHBondContact O-CB 3.5Å; V583-L587 WeakPolarHBondContact O-CG 3.12Å; V583-L587 PolarHBondContact O-N 3.45Å
584	E	86.5	Confident	78.6	Confident	35 Å²	35	57.8 Å²	57.8	16%	0.164	29%	0.288	C	S	.	.	H	α-helix	trans	-65.9	-41.7	176.8	-166.8	-178.2	153.2	0	0	112	K507 L508 F580 E581 E582 L587 W588	K507-E584 WeakPolarHBondContact CD-OE2 3.42Å; K507-E584 WeakPolarHBondContact CE-OE1 3.41Å; K507-E584 VanDerWaalsContact CE-OE2 3.24Å; K507-E584 WeakPolarHBondContact CE-OE2 3.27Å; K507-E584 IonicContact NZ-OE1 2.71Å; K507-E584 PolarHBondContact NZ-OE1 2.95Å; K507-E584 IonicContact NZ-OE2 3.19Å; K507-E584 PolarHBondContact NZ-OE2 3.13Å; L508-E584 HydrophobicContact CD2-CB 4.03Å; L508-E584 HydrophobicContact CD2-CG 4.34Å; F580-E584 PolarHBondContact O-N 3.36Å; E581-E584 PolarHBondContact O-N 2.9Å; E582-E584 PolarHBondContact O-N 3.12Å; E584-L587 PolarHBondContact O-N 3.49Å; E584-W588 WeakPolarHBondContact O-CB 3.38Å; E584-W588 PolarHBondContact O-N 3.28Å
585	L	88.1	Confident	81	Confident	130 Å²	130	56.9 Å²	56.9	68%	0.681	27%	0.274	S	S	*	.	H	α-helix	trans	-62.6	-41.1	177.4	-77.9	165.3	0	0	0	112.2	E581 E582 W588	E581-L585 WeakPolarHBondContact O-CB 3.49Å; E581-L585 WeakPolarHBondContact O-CD1 3.01Å; E581-L585 VanDerWaalsContact O-CG 3.27Å; E581-L585 WeakPolarHBondContact O-CG 3.07Å; E581-L585 PolarHBondContact O-N 3.11Å; E582-L585 PolarHBondContact O-N 3.06Å; L585-W588 WeakPolarHBondContact O-CB 3.44Å; L585-W588 PolarHBondContact O-N 3.07Å
586	M	87.2	Confident	82.6	Confident	48 Å²	48	52.1 Å²	52.1	24%	0.236	25%	0.252	C	S	.	.	H	α-helix	trans	-70.7	-31.6	177.2	-67.5	170.3	84.8	0	0	112.7	M556 E559 E582 V583 P589	M556-M586 HydrophobicContact CE-CB 3.38Å; M556-M586 HydrophobicContact CE-CG 4.47Å; M556-M586 HydrophobicContact CE-SD 4.36Å; M556-M586 HydrophobicContact CG-CE 3.72Å; M556-M586 HydrophobicContact CG-SD 3.9Å; E559-M586 VanDerWaalsContact OE1-CE 3.23Å; E559-M586 WeakPolarHBondContact OE1-CE 3.03Å; E582-M586 WeakPolarHBondContact O-CB 3.43Å; E582-M586 VanDerWaalsContact O-CG 3.28Å; E582-M586 WeakPolarHBondContact O-CG 3.48Å; E582-M586 PolarHBondContact O-N 2.91Å; V583-M586 PolarHBondContact O-N 3.49Å; M586-P589 WeakPolarHBondContact O-CD 3.37Å
587	L	90.5	Very high	84.2	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-79.8	-23.3	174.5	-72.2	177.6	0	0	0	114	L473 L508 Y511 Y549 I552 L553 M556 V583 E584 P589 M590	L473-L587 HydrophobicContact CD1-CD1 3.87Å; L473-L587 HydrophobicContact CD2-CD1 3.68Å; L473-L587 HydrophobicContact CG-CD1 4.43Å; L508-L587 HydrophobicContact CD2-CD1 4.11Å; Y511-L587 HydrophobicContact CD1-CB 4.3Å; Y511-L587 HydrophobicContact CD1-CD1 4.44Å; Y511-L587 HydrophobicContact CD2-CB 4.29Å; Y511-L587 HydrophobicContact CD2-CD1 3.58Å; Y511-L587 HydrophobicContact CE1-CB 3.88Å; Y511-L587 HydrophobicContact CE2-CB 3.86Å; Y511-L587 HydrophobicContact CE2-CD1 3.88Å; Y511-L587 HydrophobicContact CG-CB 4.49Å; Y511-L587 HydrophobicContact CG-CD1 3.89Å; Y549-L587 HydrophobicContact CD2-CD2 4.29Å; Y549-L587 HydrophobicContact CE2-CD2 3.8Å; I552-L587 HydrophobicContact CG2-CD2 4.39Å; L553-L587 HydrophobicContact CD2-CD2 4.04Å; M556-L587 HydrophobicContact CE-CD2 3.69Å; M556-L587 HydrophobicContact CE-CG 3.57Å; V583-L587 HydrophobicContact CG1-CD1 4.15Å; V583-L587 WeakPolarHBondContact O-CB 3.5Å; V583-L587 WeakPolarHBondContact O-CG 3.12Å; V583-L587 PolarHBondContact O-N 3.45Å; E584-L587 PolarHBondContact O-N 3.49Å; L587-P589 VanDerWaalsContact C-N 3.33Å; L587-P589 VanDerWaalsContact O-N 3.15Å; L587-M590 PolarHBondContact O-N 3.37Å
588	W	87	Confident	85.3	Confident	129 Å²	129	46.1 Å²	46.1	49%	0.489	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-49.1	-41.2	-173	-170.9	-89.1	0	0	0	115	E584 L585 M590 K591	E584-W588 WeakPolarHBondContact O-CB 3.38Å; E584-W588 PolarHBondContact O-N 3.28Å; L585-W588 WeakPolarHBondContact O-CB 3.44Å; L585-W588 PolarHBondContact O-N 3.07Å; W588-M590 PolarHBondContact O-N 3.43Å; W588-K591 HydrophobicContact CE3-CD 4.27Å; W588-K591 HydrophobicContact CH2-CD 4.33Å; W588-K591 HydrophobicContact CZ3-CD 4.17Å; W588-K591 VanDerWaalsContact O-CB 3.27Å; W588-K591 WeakPolarHBondContact O-CB 3.34Å; W588-K591 PolarHBondContact O-N 3.17Å; W588-K591 VanDerWaalsContact O-N 3.14Å
589	P	85.1	Confident	85.7	Confident	86 Å²	86	47.8 Å²	47.8	56%	0.558	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-60.7	-24.8	177.4	-23.9	35.5	0	0	0	114.7	M586 L587	M586-P589 WeakPolarHBondContact O-CD 3.37Å; L587-P589 VanDerWaalsContact C-N 3.33Å; L587-P589 VanDerWaalsContact O-N 3.15Å
590	M	86.8	Confident	85.7	Confident	21 Å²	21	45 Å²	45	10%	0.103	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-90	-1.9	-179.7	-68.6	-64.4	174.4	0	0	113.7	Y549 I552 L587 W588 T593 L594	Y549-M590 HydrophobicContact CD2-CB 4.37Å; Y549-M590 HydrophobicContact CD2-CG 4.46Å; I552-M590 HydrophobicContact CD1-CE 3.67Å; I552-M590 HydrophobicContact CD1-CG 3.76Å; L587-M590 PolarHBondContact O-N 3.37Å; W588-M590 PolarHBondContact O-N 3.43Å; M590-T593 WeakPolarHBondContact CA-OG1 3.49Å; M590-T593 PolarHBondContact O-OG1 3.45Å; M590-L594 HydrophobicContact CB-CD1 4.17Å; M590-L594 VanDerWaalsContact O-CB 3.3Å; M590-L594 WeakPolarHBondContact O-CB 3.38Å; M590-L594 WeakPolarHBondContact O-CD1 3.06Å; M590-L594 WeakPolarHBondContact O-CG 3.22Å; M590-L594 PolarHBondContact O-N 3.49Å; M590-L594 VanDerWaalsContact O-N 3.08Å
591	K	85.9	Confident	85.8	Confident	71 Å²	71	45.5 Å²	45.5	31%	0.309	22%	0.221	S	C	.	.	H	α-helix	trans	-65.6	-54.7	-175.1	-173.1	-174	176.3	-168.5	0	112.1	W510 Y511 W588 T593 Y595	W510-K591 HydrophobicContact CH2-CG 4.27Å; W510-K591 VanDerWaalsContact CH2-O 3.31Å; W510-K591 WeakPolarHBondContact CH2-O 3.4Å; W510-K591 HydrophobicContact CZ3-CG 4.14Å; Y511-K591 HydrophobicContact CE1-CB 4.06Å; W588-K591 HydrophobicContact CE3-CD 4.27Å; W588-K591 HydrophobicContact CH2-CD 4.33Å; W588-K591 HydrophobicContact CZ3-CD 4.17Å; W588-K591 VanDerWaalsContact O-CB 3.27Å; W588-K591 WeakPolarHBondContact O-CB 3.34Å; W588-K591 PolarHBondContact O-N 3.17Å; W588-K591 VanDerWaalsContact O-N 3.14Å; K591-T593 VanDerWaalsContact C-N 3.35Å; K591-Y595 PolarHBondContact O-N 2.95Å; K591-Y595 VanDerWaalsContact O-N 3.13Å
592	D	82.7	Confident	85.9	Confident	76 Å²	76	44.8 Å²	44.8	41%	0.406	22%	0.221	S	C	.	.	H	α-helix	trans	-74.3	-29.6	-176	-64.4	-36.3	0	0	0	111.4	Y595 A596 M626	D592-Y595 PolarHBondContact O-N 2.97Å; D592-A596 WeakPolarHBondContact O-CB 3.42Å; D592-A596 PolarHBondContact O-N 3.3Å; D592-M626 HydrophobicContact CB-CE 4.03Å
593	T	84.4	Confident	85.7	Confident	5 Å²	5	43.7 Å²	43.7	3%	0.031	22%	0.217	C	C	.	.	H	α-helix	trans	-66.6	-45.7	175	66.8	0	0	0	0	112.2	M590 K591 Y595 A596 L597 E625 I629	M590-T593 WeakPolarHBondContact CA-OG1 3.49Å; M590-T593 PolarHBondContact O-OG1 3.45Å; K591-T593 VanDerWaalsContact C-N 3.35Å; T593-Y595 PolarHBondContact O-N 3.29Å; T593-A596 PolarHBondContact O-N 3.37Å; T593-L597 WeakPolarHBondContact O-CG 3.38Å; T593-L597 PolarHBondContact O-N 2.6Å; T593-E625 HydrophobicContact CG2-CB 4.21Å; T593-I629 VanDerWaalsContact CB-CD1 3.49Å; T593-I629 HydrophobicContact CG2-CD1 3.46Å; T593-I629 VanDerWaalsContact CG2-CD1 3.46Å
594	L	88	Confident	85.1	Confident	3 Å²	3	45 Å²	45	2%	0.016	23%	0.225	C	C	.	.	H	α-helix	trans	-67.8	-32.9	176	-70.2	170	0	0	0	112.4	W510 Y511 K514 L518 L546 Y549 M590 S598	W510-L594 HydrophobicContact CH2-CB 4.25Å; W510-L594 HydrophobicContact CZ3-CB 4.35Å; Y511-L594 HydrophobicContact CD1-CD1 3.89Å; K514-L594 HydrophobicContact CB-CB 4.13Å; L518-L594 HydrophobicContact CD1-CD2 3.57Å; L546-L594 HydrophobicContact CD2-CD2 4.34Å; Y549-L594 HydrophobicContact CD2-CD1 4.03Å; Y549-L594 HydrophobicContact CE2-CD1 4.13Å; M590-L594 HydrophobicContact CB-CD1 4.17Å; M590-L594 VanDerWaalsContact O-CB 3.3Å; M590-L594 WeakPolarHBondContact O-CB 3.38Å; M590-L594 WeakPolarHBondContact O-CD1 3.06Å; M590-L594 WeakPolarHBondContact O-CG 3.22Å; M590-L594 PolarHBondContact O-N 3.49Å; M590-L594 VanDerWaalsContact O-N 3.08Å; L594-S598 VanDerWaalsContact O-CB 3.27Å; L594-S598 WeakPolarHBondContact O-CB 3.34Å; L594-S598 PolarHBondContact O-N 3.44Å; L594-S598 VanDerWaalsContact O-N 3.1Å
595	Y	86.9	Confident	84.3	Confident	131 Å²	131	50.8 Å²	50.8	51%	0.514	26%	0.257	S	S	.	.	H	α-helix	trans	-67.3	-46.1	172	-173.6	-85.1	0	0	0	111.5	W510 K591 D592 T593 S598 S599	W510-Y595 HydrophobicContact CZ2-CD2 4.19Å; K591-Y595 PolarHBondContact O-N 2.95Å; K591-Y595 VanDerWaalsContact O-N 3.13Å; D592-Y595 PolarHBondContact O-N 2.97Å; T593-Y595 PolarHBondContact O-N 3.29Å; Y595-S598 PolarHBondContact O-N 2.87Å; Y595-S599 PolarHBondContact O-N 3.11Å; Y595-S599 PolarHBondContact O-OG 3.43Å
596	A	82.9	Confident	83.3	Confident	2 Å²	2	47.8 Å²	47.8	2%	0.017	24%	0.244	C	C	.	.	H	α-helix	trans	-59.2	-51.2	177.9	0	0	0	0	0	112.3	D592 T593 S598 S599 L600 M618 M626	D592-A596 WeakPolarHBondContact O-CB 3.42Å; D592-A596 PolarHBondContact O-N 3.3Å; T593-A596 PolarHBondContact O-N 3.37Å; A596-S598 PolarHBondContact O-N 2.64Å; A596-S599 WeakPolarHBondContact O-CB 3Å; A596-S599 PolarHBondContact O-N 3.47Å; A596-S599 VanDerWaalsContact O-N 3.15Å; A596-L600 PolarHBondContact O-N 2.68Å; A596-L600 VanDerWaalsContact O-N 3.12Å; A596-M618 HydrophobicContact CB-CE 3.58Å; A596-M626 HydrophobicContact CB-CE 4.01Å; A596-M626 HydrophobicContact CB-CG 4.1Å; A596-M626 HydrophobicContact CB-SD 3.81Å
597	L	86.8	Confident	82.5	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-64.1	-40.6	178.6	-70.9	176.3	0	0	0	112	L518 I542 E545 T593 S599 L600 V601 I629	L518-L597 HydrophobicContact CD1-CB 3.93Å; L518-L597 HydrophobicContact CD1-CD1 4.4Å; L518-L597 HydrophobicContact CD2-CB 3.96Å; I542-L597 HydrophobicContact CG1-CB 4.36Å; I542-L597 HydrophobicContact CG1-CD1 4.25Å; I542-L597 HydrophobicContact CG1-CD2 3.88Å; I542-L597 HydrophobicContact CG1-CG 4.39Å; E545-L597 HydrophobicContact CB-CD1 3.88Å; E545-L597 HydrophobicContact CG-CD1 4.11Å; T593-L597 WeakPolarHBondContact O-CG 3.38Å; T593-L597 PolarHBondContact O-N 2.6Å; L597-S599 VanDerWaalsContact C-N 3.27Å; L597-S599 PolarHBondContact O-N 3.12Å; L597-L600 PolarHBondContact O-N 3.39Å; L597-V601 WeakPolarHBondContact O-CG2 3.4Å; L597-V601 PolarHBondContact O-N 2.93Å; L597-I629 HydrophobicContact CD2-CG2 3.61Å; L597-I629 HydrophobicContact CG-CG2 4.2Å
598	S	86.6	Confident	81.5	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.007	28%	0.279	C	S	.	.	H	α-helix	trans	-57	-42.8	172.7	176.3	0	0	0	0	111.4	K514 L594 Y595 A596 L600 V601 D602	K514-S598 PolarHBondContact NZ-OG 2.92Å; L594-S598 VanDerWaalsContact O-CB 3.27Å; L594-S598 WeakPolarHBondContact O-CB 3.34Å; L594-S598 PolarHBondContact O-N 3.44Å; L594-S598 VanDerWaalsContact O-N 3.1Å; Y595-S598 PolarHBondContact O-N 2.87Å; A596-S598 PolarHBondContact O-N 2.64Å; S598-L600 VanDerWaalsContact C-N 3.31Å; S598-L600 PolarHBondContact O-N 3.1Å; S598-V601 PolarHBondContact O-N 2.74Å; S598-D602 PolarHBondContact O-N 2.87Å; S598-D602 PolarHBondContact OG-OD2 2.75Å
599	S	84.2	Confident	80.9	Confident	35 Å²	35	49.1 Å²	49.1	25%	0.245	27%	0.273	C	S	.	.	H	α-helix	trans	-68.6	-29	-178.4	-55.5	0	0	0	0	112.9	Y595 A596 L597	Y595-S599 PolarHBondContact O-N 3.11Å; Y595-S599 PolarHBondContact O-OG 3.43Å; A596-S599 WeakPolarHBondContact O-CB 3Å; A596-S599 PolarHBondContact O-N 3.47Å; A596-S599 VanDerWaalsContact O-N 3.15Å; L597-S599 VanDerWaalsContact C-N 3.27Å; L597-S599 PolarHBondContact O-N 3.12Å
600	L	84	Confident	80.6	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-74.6	-40	171.3	-72.3	171.8	0	0	0	112	L538 A596 L597 S598 D602 L603 T604 L611 Q614 A615 M618	L538-L600 HydrophobicContact CD1-CB 4.06Å; L538-L600 HydrophobicContact CD1-CD1 4.08Å; L538-L600 HydrophobicContact CD2-CB 4.19Å; A596-L600 PolarHBondContact O-N 2.68Å; A596-L600 VanDerWaalsContact O-N 3.12Å; L597-L600 PolarHBondContact O-N 3.39Å; S598-L600 VanDerWaalsContact C-N 3.31Å; S598-L600 PolarHBondContact O-N 3.1Å; L600-D602 VanDerWaalsContact C-N 3.32Å; L600-D602 PolarHBondContact O-N 2.77Å; L600-L603 PolarHBondContact O-N 2.93Å; L600-L603 VanDerWaalsContact O-N 3.12Å; L600-T604 PolarHBondContact O-N 2.82Å; L600-L611 HydrophobicContact CB-CD1 4.33Å; L600-L611 HydrophobicContact CD2-CD1 4.04Å; L600-L611 WeakPolarHBondContact O-CD1 3.32Å; L600-Q614 HydrophobicContact CD2-CB 4.34Å; L600-Q614 HydrophobicContact CD2-CG 4.18Å; L600-A615 HydrophobicContact CD2-CB 4.25Å; L600-M618 HydrophobicContact CD1-CE 3.9Å; L600-M618 HydrophobicContact CD1-SD 4.11Å; L600-M618 HydrophobicContact CD2-CE 4.49Å; L600-M618 HydrophobicContact CD2-SD 3.64Å; L600-M618 HydrophobicContact CG-CE 3.95Å; L600-M618 HydrophobicContact CG-SD 3.72Å
601	V	85.9	Confident	80.3	Confident	13 Å²	13	47.1 Å²	47.1	8%	0.079	26%	0.26	C	S	.	.	H	α-helix	trans	-62.2	-39.4	173.8	169.3	0	0	0	0	111.5	L518 F521 L538 I542 L597 S598 L603 T604	L518-V601 HydrophobicContact CD2-CG2 3.79Å; F521-V601 HydrophobicContact CB-CG1 3.87Å; F521-V601 HydrophobicContact CB-CG2 4.26Å; F521-V601 HydrophobicContact CD1-CG2 3.74Å; F521-V601 HydrophobicContact CD2-CG1 3.76Å; F521-V601 HydrophobicContact CD2-CG2 4.24Å; F521-V601 HydrophobicContact CE1-CG2 4.14Å; F521-V601 HydrophobicContact CE2-CG1 4.49Å; F521-V601 HydrophobicContact CG-CB 4.46Å; F521-V601 HydrophobicContact CG-CG1 3.8Å; F521-V601 HydrophobicContact CG-CG2 3.79Å; L538-V601 HydrophobicContact CD2-CG2 4.26Å; I542-V601 HydrophobicContact CD1-CG2 3.44Å; I542-V601 VanDerWaalsContact CD1-CG2 3.44Å; L597-V601 WeakPolarHBondContact O-CG2 3.4Å; L597-V601 PolarHBondContact O-N 2.93Å; S598-V601 PolarHBondContact O-N 2.74Å; V601-L603 PolarHBondContact O-N 2.82Å; V601-T604 PolarHBondContact O-N 3.1Å; V601-T604 VanDerWaalsContact O-N 3.07Å; V601-T604 PolarHBondContact O-OG1 2.92Å
602	D	83.3	Confident	80.1	Confident	88 Å²	88	44.9 Å²	44.9	47%	0.471	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-16.6	175.5	-77.3	-53.9	0	0	0	113.6	K517 S598 L600	K517-D602 IonicContact NZ-OD1 3.18Å; K517-D602 PolarHBondContact NZ-OD1 2.74Å; K517-D602 IonicContact NZ-OD2 3.33Å; K517-D602 PolarHBondContact NZ-OD2 2.81Å; S598-D602 PolarHBondContact O-N 2.87Å; S598-D602 PolarHBondContact OG-OD2 2.75Å; L600-D602 VanDerWaalsContact C-N 3.32Å; L600-D602 PolarHBondContact O-N 2.77Å
603	L	80.3	Confident	80.2	Confident	41 Å²	41	44.7 Å²	44.7	22%	0.215	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-2.8	175.8	-65.8	175	0	0	0	114.7	L600 V601 N605 V606 L611 Q614	L600-L603 PolarHBondContact O-N 2.93Å; L600-L603 VanDerWaalsContact O-N 3.12Å; V601-L603 PolarHBondContact O-N 2.82Å; L603-N605 PolarHBondContact O-N 3.5Å; L603-V606 HydrophobicContact CD2-CG2 4.31Å; L603-V606 WeakPolarHBondContact O-CB 3.3Å; L603-V606 PolarHBondContact O-N 3.48Å; L603-L611 HydrophobicContact CB-CD1 4.23Å; L603-Q614 HydrophobicContact CD1-CB 3.56Å; L603-Q614 HydrophobicContact CD1-CG 3.53Å
604	T	74.5	Confident	80.1	Confident	28 Å²	28	47.9 Å²	47.9	17%	0.172	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-12.7	-179.2	60	0	0	0	0	114	F521 T535 L538 L600 V601 V606 L611	F521-T604 HydrophobicContact CE2-CG2 3.77Å; F521-T604 WeakPolarHBondContact CE2-OG1 3.26Å; F521-T604 HydrophobicContact CZ-CG2 3.86Å; T535-T604 HydrophobicContact CG2-CG2 3.99Å; L538-T604 HydrophobicContact CD2-CG2 3.56Å; L600-T604 PolarHBondContact O-N 2.82Å; V601-T604 PolarHBondContact O-N 3.1Å; V601-T604 VanDerWaalsContact O-N 3.07Å; V601-T604 PolarHBondContact O-OG1 2.92Å; T604-V606 VanDerWaalsContact C-N 3.27Å; T604-L611 HydrophobicContact CG2-CD1 4.36Å; T604-L611 HydrophobicContact CG2-CD2 4.15Å
605	N	69.1	Low	79.9	Confident	158 Å²	158	47.7 Å²	47.7	85%	0.845	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	4.6	170.9	-67.3	-35.9	0	0	0	113.2	L603	L603-N605 PolarHBondContact O-N 3.5Å
606	V	67.6	Low	79.9	Confident	67 Å²	67	46 Å²	46	41%	0.406	26%	0.262	S	S	.	.	S	Bend	trans	-115.4	163.4	-179.6	-167.6	0	0	0	0	109.1	L603 T604 S608 V610	L603-V606 HydrophobicContact CD2-CG2 4.31Å; L603-V606 WeakPolarHBondContact O-CB 3.3Å; L603-V606 PolarHBondContact O-N 3.48Å; T604-V606 VanDerWaalsContact C-N 3.27Å; V606-S608 PolarHBondContact O-N 2.97Å; V606-V610 HydrophobicContact CG1-CB 4Å; V606-V610 HydrophobicContact CG1-CG1 4.13Å; V606-V610 HydrophobicContact CG1-CG2 3.95Å
607	D	70.3	Confident	80	Confident	130 Å²	130	49.9 Å²	49.9	70%	0.695	29%	0.286	S	S	*	.			trans	-47.4	136.6	178.9	-62.6	-55.2	0	0	0	112.9	G609 V610 L611	D607-G609 PolarHBondContact O-N 3.06Å; D607-V610 HydrophobicContact CB-CG2 4.34Å; D607-V610 WeakPolarHBondContact O-CA 3.47Å; D607-V610 WeakPolarHBondContact O-CB 3.39Å; D607-V610 PolarHBondContact O-N 3.02Å; D607-L611 PolarHBondContact O-N 3.43Å
608	S	70.4	Confident	79.8	Confident	40 Å²	40	50.4 Å²	50.4	28%	0.28	29%	0.288	S	S	.	.	H	α-helix	trans	-58	-28.7	-174.6	57.3	0	0	0	0	113.8	V606 V610 L611 I612	V606-S608 PolarHBondContact O-N 2.97Å; S608-V610 VanDerWaalsContact C-N 3.32Å; S608-V610 PolarHBondContact O-N 3.02Å; S608-L611 PolarHBondContact O-N 3.22Å; S608-I612 WeakPolarHBondContact O-CG1 3.15Å; S608-I612 PolarHBondContact O-N 2.95Å; S608-I612 VanDerWaalsContact O-N 3.08Å
609	G	72.5	Confident	79.6	Confident	34 Å²	34	51 Å²	51	35%	0.351	29%	0.291	S	S	.	.	H	α-helix	trans	-62.8	-33.9	172.2	0	0	0	0	0	113.7	D607 S613	D607-G609 PolarHBondContact O-N 3.06Å; G609-S613 VanDerWaalsContact O-CB 3.26Å; G609-S613 WeakPolarHBondContact O-CB 3.22Å; G609-S613 PolarHBondContact O-N 3.44Å; G609-S613 PolarHBondContact O-OG 3.02Å
610	V	79.9	Confident	79.5	Confident	61 Å²	61	54.9 Å²	54.9	37%	0.37	31%	0.305	S	S	.	.	H	α-helix	trans	-70	-43.3	175.5	-179.6	0	0	0	0	110.4	V606 D607 S608 I612 S613 Q614	V606-V610 HydrophobicContact CG1-CB 4Å; V606-V610 HydrophobicContact CG1-CG1 4.13Å; V606-V610 HydrophobicContact CG1-CG2 3.95Å; D607-V610 HydrophobicContact CB-CG2 4.34Å; D607-V610 WeakPolarHBondContact O-CA 3.47Å; D607-V610 WeakPolarHBondContact O-CB 3.39Å; D607-V610 PolarHBondContact O-N 3.02Å; S608-V610 VanDerWaalsContact C-N 3.32Å; S608-V610 PolarHBondContact O-N 3.02Å; V610-I612 PolarHBondContact O-N 2.81Å; V610-S613 PolarHBondContact O-N 3.44Å; V610-Q614 PolarHBondContact O-N 2.94Å
611	L	80.7	Confident	79.3	Confident	4 Å²	4	57.3 Å²	57.3	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-59.6	-47.3	176.5	-179.3	64.8	0	0	0	111.9	L538 L600 L603 T604 D607 S608 S613 Q614 A615 M637	L538-L611 HydrophobicContact CD2-CD1 4.39Å; L600-L611 HydrophobicContact CB-CD1 4.33Å; L600-L611 HydrophobicContact CD2-CD1 4.04Å; L600-L611 WeakPolarHBondContact O-CD1 3.32Å; L603-L611 HydrophobicContact CB-CD1 4.23Å; T604-L611 HydrophobicContact CG2-CD1 4.36Å; T604-L611 HydrophobicContact CG2-CD2 4.15Å; D607-L611 PolarHBondContact O-N 3.43Å; S608-L611 PolarHBondContact O-N 3.22Å; L611-S613 VanDerWaalsContact C-N 3.35Å; L611-Q614 PolarHBondContact O-N 3.46Å; L611-A615 PolarHBondContact O-N 3.23Å; L611-M637 HydrophobicContact CD1-CE 4.47Å; L611-M637 HydrophobicContact CD2-CE 3.83Å; L611-M637 HydrophobicContact CG-CE 3.9Å; L611-M637 HydrophobicContact CG-SD 4.45Å
612	I	81	Confident	78.8	Confident	25 Å²	25	68.7 Å²	68.7	13%	0.128	36%	0.362	C	S	.	.	H	α-helix	trans	-63.8	-41.5	176.6	-63	164.3	0	0	0	110.7	Y534 S608 V610 A615 Y616 M637	Y534-I612 HydrophobicContact CD1-CD1 3.96Å; Y534-I612 HydrophobicContact CD1-CG1 4.35Å; Y534-I612 HydrophobicContact CE1-CD1 3.62Å; Y534-I612 HydrophobicContact CE1-CG1 4.46Å; S608-I612 WeakPolarHBondContact O-CG1 3.15Å; S608-I612 PolarHBondContact O-N 2.95Å; S608-I612 VanDerWaalsContact O-N 3.08Å; V610-I612 PolarHBondContact O-N 2.81Å; I612-A615 PolarHBondContact O-N 3.42Å; I612-Y616 WeakPolarHBondContact O-CB 3.33Å; I612-Y616 PolarHBondContact O-N 2.94Å; I612-M637 HydrophobicContact CG1-CB 4.34Å; I612-M637 HydrophobicContact CG1-SD 4.02Å
613	S	84.8	Confident	78.6	Confident	71 Å²	71	66.9 Å²	66.9	50%	0.497	35%	0.352	S	S	.	.	H	α-helix	trans	-63.8	-40.6	178.5	-62.2	0	0	0	0	112.1	G609 V610 L611 Y616 V617	G609-S613 VanDerWaalsContact O-CB 3.26Å; G609-S613 WeakPolarHBondContact O-CB 3.22Å; G609-S613 PolarHBondContact O-N 3.44Å; G609-S613 PolarHBondContact O-OG 3.02Å; V610-S613 PolarHBondContact O-N 3.44Å; L611-S613 VanDerWaalsContact C-N 3.35Å; S613-Y616 WeakPolarHBondContact O-CB 3.22Å; S613-Y616 PolarHBondContact O-N 3.43Å; S613-V617 WeakPolarHBondContact O-CG2 3.5Å; S613-V617 PolarHBondContact O-N 3.47Å
614	Q	82.5	Confident	78.5	Confident	72 Å²	72	69.2 Å²	69.2	34%	0.336	37%	0.37	S	S	.	.	H	α-helix	trans	-67.6	-43.2	176.1	-172.8	68.1	4.2	0	0	111.6	L600 L603 V610 L611 Y616 V617 M618	L600-Q614 HydrophobicContact CD2-CB 4.34Å; L600-Q614 HydrophobicContact CD2-CG 4.18Å; L603-Q614 HydrophobicContact CD1-CB 3.56Å; L603-Q614 HydrophobicContact CD1-CG 3.53Å; V610-Q614 PolarHBondContact O-N 2.94Å; L611-Q614 PolarHBondContact O-N 3.46Å; Q614-Y616 PolarHBondContact O-N 2.69Å; Q614-V617 PolarHBondContact O-N 2.85Å; Q614-V617 VanDerWaalsContact O-N 3.15Å; Q614-M618 HydrophobicContact CG-CG 4.46Å; Q614-M618 HydrophobicContact CG-SD 3.95Å; Q614-M618 VanDerWaalsContact O-CG 3.3Å; Q614-M618 WeakPolarHBondContact O-CG 3.47Å; Q614-M618 PolarHBondContact O-N 3.42Å
615	A	83.5	Confident	78.4	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-58.5	-38.6	174.1	0	0	0	0	0	111.6	L600 L611 I612 M618 M619 L634 M637	L600-A615 HydrophobicContact CD2-CB 4.25Å; L611-A615 PolarHBondContact O-N 3.23Å; I612-A615 PolarHBondContact O-N 3.42Å; A615-M618 PolarHBondContact O-N 3.48Å; A615-M619 PolarHBondContact O-N 2.86Å; A615-L634 HydrophobicContact CB-CD2 3.92Å; A615-L634 HydrophobicContact CB-CG 4.01Å; A615-M637 HydrophobicContact CB-SD 4.49Å
616	Y	86.8	Confident	78.8	Confident	94 Å²	94	65.8 Å²	65.8	37%	0.369	35%	0.347	S	S	.	.	H	α-helix	trans	-63.9	-43.7	173.7	-176.4	-105	0	0	0	112.9	I612 S613 Q614 M618 M619 H620 F700	I612-Y616 WeakPolarHBondContact O-CB 3.33Å; I612-Y616 PolarHBondContact O-N 2.94Å; S613-Y616 WeakPolarHBondContact O-CB 3.22Å; S613-Y616 PolarHBondContact O-N 3.43Å; Q614-Y616 PolarHBondContact O-N 2.69Å; Y616-M618 VanDerWaalsContact C-N 3.32Å; Y616-M618 PolarHBondContact O-N 3.43Å; Y616-M619 HydrophobicContact CD2-CE 4.01Å; Y616-M619 HydrophobicContact CE2-CE 3.79Å; Y616-M619 PolarHBondContact O-N 3.29Å; Y616-H620 AromaticContact CE1-CD2 3.9Å; Y616-H620 AromaticContact CE1-NE2 3.52Å; Y616-H620 AromaticContact CE2-NE2 3.54Å; Y616-H620 AromaticContact CZ-CD2 3.96Å; Y616-H620 AromaticContact CZ-NE2 3.15Å; Y616-H620 PolarHBondContact O-CD2 3.29Å; Y616-H620 PolarHBondContact OH-NE2 3.1Å; Y616-F700 HydrophobicContact CD2-CB 4.01Å; Y616-F700 HydrophobicContact CE2-CB 3.91Å
617	V	85.4	Confident	79.5	Confident	84 Å²	84	67.1 Å²	67.1	51%	0.509	35%	0.347	S	S	.	.	H	α-helix	trans	-61.2	-41.2	173.3	170.5	0	0	0	0	111.2	S613 Q614 M619 H620	S613-V617 WeakPolarHBondContact O-CG2 3.5Å; S613-V617 PolarHBondContact O-N 3.47Å; Q614-V617 PolarHBondContact O-N 2.85Å; Q614-V617 VanDerWaalsContact O-N 3.15Å; V617-M619 VanDerWaalsContact C-N 3.33Å; V617-M619 PolarHBondContact O-N 2.87Å; V617-H620 PolarHBondContact O-N 3.16Å; V617-H620 VanDerWaalsContact O-N 3.11Å
618	M	82.1	Confident	80	Confident	13 Å²	13	65.8 Å²	65.8	6%	0.064	34%	0.335	C	S	.	.	H	α-helix	trans	-65.9	-32.2	179.7	-71	169.8	64.7	0	0	113	A596 L600 Q614 A615 Y616 H620 T621 A630	A596-M618 HydrophobicContact CB-CE 3.58Å; L600-M618 HydrophobicContact CD1-CE 3.9Å; L600-M618 HydrophobicContact CD1-SD 4.11Å; L600-M618 HydrophobicContact CD2-CE 4.49Å; L600-M618 HydrophobicContact CD2-SD 3.64Å; L600-M618 HydrophobicContact CG-CE 3.95Å; L600-M618 HydrophobicContact CG-SD 3.72Å; Q614-M618 HydrophobicContact CG-CG 4.46Å; Q614-M618 HydrophobicContact CG-SD 3.95Å; Q614-M618 VanDerWaalsContact O-CG 3.3Å; Q614-M618 WeakPolarHBondContact O-CG 3.47Å; Q614-M618 PolarHBondContact O-N 3.42Å; A615-M618 PolarHBondContact O-N 3.48Å; Y616-M618 VanDerWaalsContact C-N 3.32Å; Y616-M618 PolarHBondContact O-N 3.43Å; M618-H620 PolarHBondContact O-N 3.09Å; M618-T621 WeakPolarHBondContact O-CB 3.16Å; M618-T621 VanDerWaalsContact O-CG2 3.31Å; M618-T621 WeakPolarHBondContact O-CG2 3.37Å; M618-T621 PolarHBondContact O-N 2.98Å; M618-T621 VanDerWaalsContact O-N 3.13Å; M618-T621 PolarHBondContact O-OG1 3.46Å; M618-A630 HydrophobicContact CB-CB 3.89Å
619	M	83.1	Confident	80.3	Confident	13 Å²	13	64.1 Å²	64.1	6%	0.064	32%	0.323	C	S	.	.	H	α-helix	trans	-64	-24.4	173.5	-172.4	-162.5	62.7	0	0	113.2	A615 Y616 V617 T621 K627 A630 L634 F700	A615-M619 PolarHBondContact O-N 2.86Å; Y616-M619 HydrophobicContact CD2-CE 4.01Å; Y616-M619 HydrophobicContact CE2-CE 3.79Å; Y616-M619 PolarHBondContact O-N 3.29Å; V617-M619 VanDerWaalsContact C-N 3.33Å; V617-M619 PolarHBondContact O-N 2.87Å; M619-T621 VanDerWaalsContact C-N 3.34Å; M619-K627 HydrophobicContact CG-CG 4.43Å; M619-K627 WeakPolarHBondContact O-CG 3.33Å; M619-A630 HydrophobicContact CB-CB 4.06Å; M619-L634 HydrophobicContact CB-CD1 3.69Å; M619-L634 HydrophobicContact CG-CD1 4.09Å; M619-L634 HydrophobicContact SD-CD1 3.77Å; M619-F700 HydrophobicContact CE-CD2 4.04Å; M619-F700 HydrophobicContact SD-CD2 3.46Å; M619-F700 WeakPolarHBondContact SD-CD2 3.28Å; M619-F700 HydrophobicContact SD-CE2 3.53Å; M619-F700 VanDerWaalsContact SD-CE2 3.53Å
620	H	82.1	Confident	80.8	Confident	116 Å²	116	62.6 Å²	62.6	54%	0.537	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	6.9	176.4	-66.6	-67.4	0	0	0	113.8	Y616 V617 M618	Y616-H620 AromaticContact CE1-CD2 3.9Å; Y616-H620 AromaticContact CE1-NE2 3.52Å; Y616-H620 AromaticContact CE2-NE2 3.54Å; Y616-H620 AromaticContact CZ-CD2 3.96Å; Y616-H620 AromaticContact CZ-NE2 3.15Å; Y616-H620 PolarHBondContact O-CD2 3.29Å; Y616-H620 PolarHBondContact OH-NE2 3.1Å; V617-H620 PolarHBondContact O-N 3.16Å; V617-H620 VanDerWaalsContact O-N 3.11Å; M618-H620 PolarHBondContact O-N 3.09Å
621	T	80	Confident	80.9	Confident	52 Å²	52	63 Å²	63	32%	0.319	31%	0.305	S	S	.	.	S	Bend	trans	-67.6	163.6	169.4	62.1	0	0	0	0	111.5	M618 M619	M618-T621 WeakPolarHBondContact O-CB 3.16Å; M618-T621 VanDerWaalsContact O-CG2 3.31Å; M618-T621 WeakPolarHBondContact O-CG2 3.37Å; M618-T621 PolarHBondContact O-N 2.98Å; M618-T621 VanDerWaalsContact O-N 3.13Å; M618-T621 PolarHBondContact O-OG1 3.46Å; M619-T621 VanDerWaalsContact C-N 3.34Å
622	R	74	Confident	80.9	Confident	252 Å²	252	67.1 Å²	67.1	95%	0.951	32%	0.321	S	S	*	.	S	Bend	trans	-87.6	-12.5	-178.2	-69.4	-174.2	177.7	-177	-0.3	114.2
623	D	79.8	Confident	80.9	Confident	50 Å²	50	66 Å²	66	27%	0.267	32%	0.315	S	S	.	.			trans	-80.1	124.8	178.3	166.7	35.1	0	0	0	110.5	E625 M626 K627	D623-E625 VanDerWaalsContact C-N 3.32Å; D623-E625 PolarHBondContact O-N 2.85Å; D623-E625 PolarHBondContact OD1-N 3.28Å; D623-E625 VanDerWaalsContact OD1-N 3.08Å; D623-M626 HydrophobicContact CB-CB 4.11Å; D623-M626 HydrophobicContact CB-CG 4.37Å; D623-M626 VanDerWaalsContact OD2-CB 3.24Å; D623-M626 WeakPolarHBondContact OD2-CB 3.34Å; D623-M626 WeakPolarHBondContact OD2-CG 3.35Å; D623-M626 PolarHBondContact OD2-N 3.03Å; D623-K627 WeakPolarHBondContact O-CB 3.43Å; D623-K627 PolarHBondContact O-N 3Å
624	P	78.9	Confident	80.9	Confident	90 Å²	90	62.6 Å²	62.6	58%	0.584	29%	0.292	S	S	*	.	H	α-helix	trans	-60.3	-34	176.8	24.7	-35.5	0	0	0	114.3	K628	P624-K628 VanDerWaalsContact O-CB 3.3Å; P624-K628 WeakPolarHBondContact O-CB 3.25Å; P624-K628 PolarHBondContact O-N 3.39Å
625	E	72.7	Confident	81	Confident	79 Å²	79	61.5 Å²	61.5	37%	0.369	29%	0.29	S	S	.	.	H	α-helix	trans	-80	-45.5	-175.3	-64.9	-56.1	137.1	0	0	112	T593 D623 K627 K628 I629	T593-E625 HydrophobicContact CG2-CB 4.21Å; D623-E625 VanDerWaalsContact C-N 3.32Å; D623-E625 PolarHBondContact O-N 2.85Å; D623-E625 PolarHBondContact OD1-N 3.28Å; D623-E625 VanDerWaalsContact OD1-N 3.08Å; E625-K627 PolarHBondContact O-N 2.62Å; E625-K628 WeakPolarHBondContact O-CB 3.29Å; E625-K628 PolarHBondContact O-N 3.19Å; E625-K628 VanDerWaalsContact O-N 3.15Å; E625-K628 WeakPolarHBondContact OE2-CD 3.46Å; E625-K628 IonicContact OE2-NZ 2.99Å; E625-K628 PolarHBondContact OE2-NZ 2.87Å; E625-I629 WeakPolarHBondContact O-CG1 3.3Å; E625-I629 PolarHBondContact O-N 3.22Å
626	M	77.3	Confident	80.8	Confident	34 Å²	34	62.7 Å²	62.7	17%	0.167	30%	0.3	C	S	.	.	H	α-helix	trans	-51.5	-45.3	165.5	-81.8	-139.7	-163.8	0	0	111.3	D592 A596 D623 K628 I629 A630	D592-M626 HydrophobicContact CB-CE 4.03Å; A596-M626 HydrophobicContact CB-CE 4.01Å; A596-M626 HydrophobicContact CB-CG 4.1Å; A596-M626 HydrophobicContact CB-SD 3.81Å; D623-M626 HydrophobicContact CB-CB 4.11Å; D623-M626 HydrophobicContact CB-CG 4.37Å; D623-M626 VanDerWaalsContact OD2-CB 3.24Å; D623-M626 WeakPolarHBondContact OD2-CB 3.34Å; D623-M626 WeakPolarHBondContact OD2-CG 3.35Å; D623-M626 PolarHBondContact OD2-N 3.03Å; M626-K628 PolarHBondContact O-N 2.95Å; M626-I629 PolarHBondContact O-N 3.29Å; M626-A630 WeakPolarHBondContact O-CB 3.4Å; M626-A630 PolarHBondContact O-N 3.25Å
627	K	81	Confident	80.5	Confident	95 Å²	95	58.2 Å²	58.2	41%	0.413	28%	0.282	S	S	.	.	H	α-helix	trans	-64	-39.7	179.5	178.5	171	-179.2	178	0	112.7	M619 D623 E625 Q631	M619-K627 HydrophobicContact CG-CG 4.43Å; M619-K627 WeakPolarHBondContact O-CG 3.33Å; D623-K627 WeakPolarHBondContact O-CB 3.43Å; D623-K627 PolarHBondContact O-N 3Å; E625-K627 PolarHBondContact O-N 2.62Å; K627-Q631 WeakPolarHBondContact O-CB 3.28Å; K627-Q631 PolarHBondContact O-N 2.92Å
628	K	80.5	Confident	80.4	Confident	103 Å²	103	54.5 Å²	54.5	45%	0.448	26%	0.26	S	S	.	.	H	α-helix	trans	-63	-45.3	176.1	167.5	171.5	151.8	-99.3	0	111.6	P624 E625 M626 Q631 Y632	P624-K628 VanDerWaalsContact O-CB 3.3Å; P624-K628 WeakPolarHBondContact O-CB 3.25Å; P624-K628 PolarHBondContact O-N 3.39Å; E625-K628 WeakPolarHBondContact O-CB 3.29Å; E625-K628 PolarHBondContact O-N 3.19Å; E625-K628 VanDerWaalsContact O-N 3.15Å; E625-K628 WeakPolarHBondContact OE2-CD 3.46Å; E625-K628 IonicContact OE2-NZ 2.99Å; E625-K628 PolarHBondContact OE2-NZ 2.87Å; M626-K628 PolarHBondContact O-N 2.95Å; K628-Q631 PolarHBondContact O-N 2.67Å; K628-Y632 PolarHBondContact O-N 3.38Å
629	I	77.6	Confident	80.4	Confident	5 Å²	5	55.7 Å²	55.7	3%	0.026	27%	0.269	C	S	.	.	H	α-helix	trans	-68.4	-43.9	177.2	-64.9	167.7	0	0	0	111.3	E545 T593 L597 E625 M626 Q631 Y632 T633	E545-I629 HydrophobicContact CG-CD1 3.9Å; E545-I629 HydrophobicContact CG-CG1 4.01Å; T593-I629 VanDerWaalsContact CB-CD1 3.49Å; T593-I629 HydrophobicContact CG2-CD1 3.46Å; T593-I629 VanDerWaalsContact CG2-CD1 3.46Å; L597-I629 HydrophobicContact CD2-CG2 3.61Å; L597-I629 HydrophobicContact CG-CG2 4.2Å; E625-I629 WeakPolarHBondContact O-CG1 3.3Å; E625-I629 PolarHBondContact O-N 3.22Å; M626-I629 PolarHBondContact O-N 3.29Å; I629-Q631 VanDerWaalsContact C-N 3.34Å; I629-Q631 PolarHBondContact O-N 2.97Å; I629-Y632 PolarHBondContact O-N 3.1Å; I629-T633 PolarHBondContact O-N 2.94Å; I629-T633 PolarHBondContact O-OG1 3.07Å
630	A	82.4	Confident	80.1	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.008	28%	0.278	C	S	.	.	H	α-helix	trans	-62.3	-40.2	175	0	0	0	0	0	111.7	M618 M619 M626 T633 L634	M618-A630 HydrophobicContact CB-CB 3.89Å; M619-A630 HydrophobicContact CB-CB 4.06Å; M626-A630 WeakPolarHBondContact O-CB 3.4Å; M626-A630 PolarHBondContact O-N 3.25Å; A630-T633 WeakPolarHBondContact CA-OG1 3.25Å; A630-T633 PolarHBondContact O-OG1 2.93Å; A630-L634 VanDerWaalsContact O-CB 3.22Å; A630-L634 WeakPolarHBondContact O-CB 3.26Å; A630-L634 WeakPolarHBondContact O-CD1 3.34Å; A630-L634 WeakPolarHBondContact O-CG 3.39Å; A630-L634 PolarHBondContact O-N 3.5Å
631	Q	83.5	Confident	79.9	Confident	71 Å²	71	54.1 Å²	54.1	33%	0.332	26%	0.263	S	S	.	.	H	α-helix	trans	-65.3	-42.5	174.3	-179.4	174.6	-28	0	0	112	K627 K628 I629 L634 V635	K627-Q631 WeakPolarHBondContact O-CB 3.28Å; K627-Q631 PolarHBondContact O-N 2.92Å; K628-Q631 PolarHBondContact O-N 2.67Å; I629-Q631 VanDerWaalsContact C-N 3.34Å; I629-Q631 PolarHBondContact O-N 2.97Å; Q631-L634 PolarHBondContact O-N 2.86Å; Q631-V635 WeakPolarHBondContact O-CG2 3.21Å; Q631-V635 PolarHBondContact O-N 2.88Å
632	Y	80.9	Confident	80.1	Confident	90 Å²	90	52.7 Å²	52.7	35%	0.353	25%	0.253	S	S	.	.	H	α-helix	trans	-63.1	-50.4	178.2	-176.9	-82.8	0	0	0	111.7	A541 K628 I629 L634 V635 A636	A541-Y632 HydrophobicContact CB-CD1 3.59Å; A541-Y632 HydrophobicContact CB-CE1 3.76Å; K628-Y632 PolarHBondContact O-N 3.38Å; I629-Y632 PolarHBondContact O-N 3.1Å; Y632-L634 PolarHBondContact O-N 2.82Å; Y632-V635 PolarHBondContact O-N 2.82Å; Y632-A636 PolarHBondContact O-N 3.43Å; Y632-A636 VanDerWaalsContact O-N 3.16Å
633	T	79.3	Confident	80.4	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.4	-45.3	175.6	45.5	0	0	0	0	111.8	L538 A541 I629 A630 A636 M637	L538-T633 HydrophobicContact CD1-CG2 3.82Å; A541-T633 HydrophobicContact CB-CG2 3.35Å; I629-T633 PolarHBondContact O-N 2.94Å; I629-T633 PolarHBondContact O-OG1 3.07Å; A630-T633 WeakPolarHBondContact CA-OG1 3.25Å; A630-T633 PolarHBondContact O-OG1 2.93Å; T633-A636 PolarHBondContact O-N 3.13Å; T633-M637 WeakPolarHBondContact O-CB 3.49Å; T633-M637 VanDerWaalsContact O-CG 3.31Å; T633-M637 WeakPolarHBondContact O-CG 3.18Å; T633-M637 PolarHBondContact O-N 2.95Å
634	L	84.5	Confident	80.1	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-60.2	-44.7	174.3	-78.9	167.5	0	0	0	113.3	A615 M619 A630 Q631 Y632 A636 M637 C638 F700	A615-L634 HydrophobicContact CB-CD2 3.92Å; A615-L634 HydrophobicContact CB-CG 4.01Å; M619-L634 HydrophobicContact CB-CD1 3.69Å; M619-L634 HydrophobicContact CG-CD1 4.09Å; M619-L634 HydrophobicContact SD-CD1 3.77Å; A630-L634 VanDerWaalsContact O-CB 3.22Å; A630-L634 WeakPolarHBondContact O-CB 3.26Å; A630-L634 WeakPolarHBondContact O-CD1 3.34Å; A630-L634 WeakPolarHBondContact O-CG 3.39Å; A630-L634 PolarHBondContact O-N 3.5Å; Q631-L634 PolarHBondContact O-N 2.86Å; Y632-L634 PolarHBondContact O-N 2.82Å; L634-A636 VanDerWaalsContact C-N 3.27Å; L634-A636 PolarHBondContact O-N 2.95Å; L634-M637 PolarHBondContact O-N 3.37Å; L634-C638 WeakPolarHBondContact O-CB 3.37Å; L634-C638 PolarHBondContact O-N 2.98Å; L634-C638 PolarHBondContact O-SG 3.21Å; L634-C638 VanDerWaalsContact O-SG 3.36Å; L634-F700 HydrophobicContact CB-CD1 4.37Å; L634-F700 HydrophobicContact CB-CE1 3.82Å; L634-F700 HydrophobicContact CB-CE2 4.07Å; L634-F700 HydrophobicContact CB-CZ 3.65Å; L634-F700 HydrophobicContact CD1-CD2 4.13Å; L634-F700 HydrophobicContact CD1-CE2 4.07Å; L634-F700 HydrophobicContact CD1-CZ 4.49Å
635	V	85.3	Confident	80.1	Confident	49 Å²	49	42.6 Å²	42.6	30%	0.297	20%	0.203	S	C	.	.	H	α-helix	trans	-57.7	-44.6	177.9	167.1	0	0	0	0	110.6	Q631 Y632 S639 P696 T697 F700	Q631-V635 WeakPolarHBondContact O-CG2 3.21Å; Q631-V635 PolarHBondContact O-N 2.88Å; Y632-V635 PolarHBondContact O-N 2.82Å; V635-S639 WeakPolarHBondContact O-CB 3.47Å; V635-S639 PolarHBondContact O-N 2.67Å; V635-P696 HydrophobicContact CG1-CB 4.39Å; V635-T697 HydrophobicContact CG2-CG2 3.52Å; V635-F700 HydrophobicContact CG2-CE1 4.37Å; V635-F700 HydrophobicContact CG2-CZ 3.87Å
636	A	78.7	Confident	80.3	Confident	25 Å²	25	39.1 Å²	39.1	21%	0.207	19%	0.188	C	C	.	.	H	α-helix	trans	-68.9	-46	-179.6	0	0	0	0	0	112	Y632 T633 L634 S639	Y632-A636 PolarHBondContact O-N 3.43Å; Y632-A636 VanDerWaalsContact O-N 3.16Å; T633-A636 PolarHBondContact O-N 3.13Å; L634-A636 VanDerWaalsContact C-N 3.27Å; L634-A636 PolarHBondContact O-N 2.95Å; A636-S639 PolarHBondContact O-N 2.63Å; A636-S639 PolarHBondContact O-OG 3.46Å
637	M	81.4	Confident	80.2	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.8	-48.1	175.3	-69.9	178.7	-174.6	0	0	112.5	Y534 S537 L538 L611 I612 A615 T633 L634 S639 M640 L641	Y534-M637 HydrophobicContact CD1-CB 4.06Å; Y534-M637 HydrophobicContact CD1-CG 4.15Å; S537-M637 WeakPolarHBondContact OG-CG 3.39Å; L538-M637 HydrophobicContact CB-CE 4.11Å; L538-M637 HydrophobicContact CD1-CE 4.43Å; L611-M637 HydrophobicContact CD1-CE 4.47Å; L611-M637 HydrophobicContact CD2-CE 3.83Å; L611-M637 HydrophobicContact CG-CE 3.9Å; L611-M637 HydrophobicContact CG-SD 4.45Å; I612-M637 HydrophobicContact CG1-CB 4.34Å; I612-M637 HydrophobicContact CG1-SD 4.02Å; A615-M637 HydrophobicContact CB-SD 4.49Å; T633-M637 WeakPolarHBondContact O-CB 3.49Å; T633-M637 VanDerWaalsContact O-CG 3.31Å; T633-M637 WeakPolarHBondContact O-CG 3.18Å; T633-M637 PolarHBondContact O-N 2.95Å; L634-M637 PolarHBondContact O-N 3.37Å; M637-S639 VanDerWaalsContact C-N 3.27Å; M637-S639 PolarHBondContact O-N 3.49Å; M637-M640 PolarHBondContact O-N 2.95Å; M637-L641 PolarHBondContact O-N 2.99Å; M637-L641 VanDerWaalsContact O-N 3.1Å
638	C	83.1	Confident	79.9	Confident	6 Å²	6	36.3 Å²	36.3	4%	0.041	18%	0.176	C	C	.	.	H	α-helix	trans	-67.4	-25.2	178.5	-69.3	0	0	0	0	112.5	L634 M640 L641 K642 P696 M699 F700	L634-C638 WeakPolarHBondContact O-CB 3.37Å; L634-C638 PolarHBondContact O-N 2.98Å; L634-C638 PolarHBondContact O-SG 3.21Å; L634-C638 VanDerWaalsContact O-SG 3.36Å; C638-M640 VanDerWaalsContact C-N 3.29Å; C638-M640 PolarHBondContact O-N 2.94Å; C638-L641 PolarHBondContact O-N 2.92Å; C638-K642 VanDerWaalsContact O-CB 3.28Å; C638-K642 WeakPolarHBondContact O-CB 3.22Å; C638-K642 PolarHBondContact O-N 2.63Å; C638-P696 HydrophobicContact CB-CB 4.3Å; C638-M699 HydrophobicContact CB-CB 4.45Å; C638-M699 HydrophobicContact CB-SD 3.87Å; C638-F700 HydrophobicContact CB-CD1 4.18Å; C638-F700 HydrophobicContact CB-CE1 4.15Å
639	S	81.3	Confident	79.5	Confident	37 Å²	37	31.6 Å²	31.6	26%	0.259	16%	0.156	S	C	.	.	H	α-helix	trans	-62.2	-38.6	173	79.5	0	0	0	0	112.1	V635 A636 M637 R643	V635-S639 WeakPolarHBondContact O-CB 3.47Å; V635-S639 PolarHBondContact O-N 2.67Å; A636-S639 PolarHBondContact O-N 2.63Å; A636-S639 PolarHBondContact O-OG 3.46Å; M637-S639 VanDerWaalsContact C-N 3.27Å; M637-S639 PolarHBondContact O-N 3.49Å; S639-R643 PolarHBondContact O-N 2.87Å
640	M	77.4	Confident	79.2	Confident	53 Å²	53	32.3 Å²	32.3	26%	0.261	16%	0.158	S	C	.	.	H	α-helix	trans	-74.2	-42.9	176.3	-65	-63.1	108.2	0	0	111.4	A533 Y534 M637 C638 K642 R643 L644	A533-M640 HydrophobicContact CB-CB 4.3Å; A533-M640 HydrophobicContact CB-CG 3.9Å; A533-M640 HydrophobicContact CB-SD 4.2Å; Y534-M640 HydrophobicContact CE1-CB 4.4Å; M637-M640 PolarHBondContact O-N 2.95Å; C638-M640 VanDerWaalsContact C-N 3.29Å; C638-M640 PolarHBondContact O-N 2.94Å; M640-K642 PolarHBondContact O-N 2.81Å; M640-R643 PolarHBondContact O-N 3.26Å; M640-R643 PolarHBondContact SD-NH2 3.48Å; M640-L644 WeakPolarHBondContact O-CG 3.45Å; M640-L644 PolarHBondContact O-N 3.11Å
641	L	78.9	Confident	78.6	Confident	43 Å²	43	34.4 Å²	34.4	23%	0.225	17%	0.171	C	C	.	.	H	α-helix	trans	-62.7	-40.5	176.3	-173.7	62.8	0	0	0	112	M637 C638 R643 L644 I645 M699	M637-L641 PolarHBondContact O-N 2.99Å; M637-L641 VanDerWaalsContact O-N 3.1Å; C638-L641 PolarHBondContact O-N 2.92Å; L641-R643 VanDerWaalsContact C-N 3.34Å; L641-R643 PolarHBondContact O-N 3.2Å; L641-L644 PolarHBondContact O-N 3.35Å; L641-I645 HydrophobicContact CD1-CD1 4.37Å; L641-I645 HydrophobicContact CG-CD1 3.99Å; L641-I645 VanDerWaalsContact O-CG1 3.3Å; L641-I645 WeakPolarHBondContact O-CG1 3.32Å; L641-I645 PolarHBondContact O-N 3.18Å; L641-M699 HydrophobicContact CB-CE 4.42Å; L641-M699 HydrophobicContact CD2-CE 3.76Å; L641-M699 HydrophobicContact CG-CE 3.94Å
642	K	83.6	Confident	77.7	Confident	23 Å²	23	31.7 Å²	31.7	10%	0.1	16%	0.162	C	C	.	.	H	α-helix	trans	-58.8	-45.6	174.9	-163.9	-169.2	77.6	148	0	111.2	C638 M640 I645 V646 L691 E692 M694 M699 F708	C638-K642 VanDerWaalsContact O-CB 3.28Å; C638-K642 WeakPolarHBondContact O-CB 3.22Å; C638-K642 PolarHBondContact O-N 2.63Å; M640-K642 PolarHBondContact O-N 2.81Å; K642-I645 PolarHBondContact O-N 3Å; K642-V646 WeakPolarHBondContact O-CG2 3.1Å; K642-V646 PolarHBondContact O-N 2.8Å; K642-L691 WeakPolarHBondContact CE-O 3.42Å; K642-L691 PolarHBondContact NZ-O 2.97Å; K642-E692 VanDerWaalsContact NZ-C 3.34Å; K642-E692 PolarHBondContact NZ-O 3.43Å; K642-M694 PolarHBondContact NZ-O 3.48Å; K642-M699 HydrophobicContact CB-SD 3.84Å; K642-M699 HydrophobicContact CG-SD 4.39Å; K642-F708 HydrophobicContact CG-CE2 4.04Å; K642-F708 HydrophobicContact CG-CZ 4.43Å
643	R	79.4	Confident	76.8	Confident	122 Å²	122	29.3 Å²	29.3	46%	0.46	16%	0.161	S	C	.	.	H	α-helix	trans	-60.9	-49.3	177.6	-178.1	170.6	62.5	80.3	-2.4	111.4	S639 M640 L641 I645 V646 D647	S639-R643 PolarHBondContact O-N 2.87Å; M640-R643 PolarHBondContact O-N 3.26Å; M640-R643 PolarHBondContact SD-NH2 3.48Å; L641-R643 VanDerWaalsContact C-N 3.34Å; L641-R643 PolarHBondContact O-N 3.2Å; R643-I645 VanDerWaalsContact C-N 3.31Å; R643-I645 PolarHBondContact O-N 2.97Å; R643-V646 PolarHBondContact O-N 3.5Å; R643-V646 VanDerWaalsContact O-N 3.15Å; R643-D647 WeakPolarHBondContact CG-OD2 3.41Å; R643-D647 IonicContact NH1-OD2 2.93Å; R643-D647 WeakPolarHBondContact O-CB 3.37Å; R643-D647 PolarHBondContact O-N 3.15Å
644	L	75.4	Confident	76	Confident	31 Å²	31	32.9 Å²	32.9	16%	0.162	18%	0.177	C	C	.	.	H	α-helix	trans	-58.3	-40.8	176.1	-69.8	170.9	0	0	0	112.6	M640 L641 W648	M640-L644 WeakPolarHBondContact O-CG 3.45Å; M640-L644 PolarHBondContact O-N 3.11Å; L641-L644 PolarHBondContact O-N 3.35Å; L644-W648 WeakPolarHBondContact O-CB 3.2Å; L644-W648 PolarHBondContact O-N 3.33Å
645	I	77.1	Confident	74.5	Confident	27 Å²	27	39.9 Å²	39.9	14%	0.138	21%	0.214	C	C	.	.	H	α-helix	trans	-64.2	-44.6	175.4	-70.3	167.2	0	0	0	111	L641 K642 R643 W648 M649 M699 F708	L641-I645 HydrophobicContact CD1-CD1 4.37Å; L641-I645 HydrophobicContact CG-CD1 3.99Å; L641-I645 VanDerWaalsContact O-CG1 3.3Å; L641-I645 WeakPolarHBondContact O-CG1 3.32Å; L641-I645 PolarHBondContact O-N 3.18Å; K642-I645 PolarHBondContact O-N 3Å; R643-I645 VanDerWaalsContact C-N 3.31Å; R643-I645 PolarHBondContact O-N 2.97Å; I645-W648 PolarHBondContact O-N 2.88Å; I645-M649 HydrophobicContact CG2-CG 4.27Å; I645-M649 HydrophobicContact CG2-SD 3.64Å; I645-M649 WeakPolarHBondContact O-CB 3.49Å; I645-M649 WeakPolarHBondContact O-CG 3.45Å; I645-M649 PolarHBondContact O-N 3.36Å; I645-M699 HydrophobicContact CD1-CE 3.69Å; I645-F708 HydrophobicContact CD1-CZ 4.46Å; I645-F708 HydrophobicContact CG2-CZ 4.49Å
646	V	78.6	Confident	72.9	Confident	6 Å²	6	40 Å²	40	4%	0.036	22%	0.217	C	C	.	.	H	α-helix	trans	-65.7	-47.9	178.1	169.8	0	0	0	0	111.4	K642 R643 W648 M649 F650 R688 L691 E692	K642-V646 WeakPolarHBondContact O-CG2 3.1Å; K642-V646 PolarHBondContact O-N 2.8Å; R643-V646 PolarHBondContact O-N 3.5Å; R643-V646 VanDerWaalsContact O-N 3.15Å; V646-W648 VanDerWaalsContact C-N 3.28Å; V646-W648 PolarHBondContact O-N 3.25Å; V646-M649 PolarHBondContact O-N 2.95Å; V646-M649 VanDerWaalsContact O-N 3.14Å; V646-F650 HydrophobicContact CG1-CD2 4Å; V646-F650 WeakPolarHBondContact O-CD2 3.48Å; V646-F650 PolarHBondContact O-N 2.99Å; V646-R688 HydrophobicContact CG1-CG 4.33Å; V646-L691 HydrophobicContact CG2-CB 3.91Å; V646-E692 HydrophobicContact CG1-CG 4.05Å
647	D	75.3	Confident	71	Confident	46 Å²	46	45.4 Å²	45.4	25%	0.246	25%	0.25	C	C	.	.	H	α-helix	trans	-59.7	-40.8	178.4	-68.7	-31.7	0	0	0	110.7	R643 V651 G652	R643-D647 WeakPolarHBondContact CG-OD2 3.41Å; R643-D647 IonicContact NH1-OD2 2.93Å; R643-D647 WeakPolarHBondContact O-CB 3.37Å; R643-D647 PolarHBondContact O-N 3.15Å; D647-V651 CarbonylContact O-C 3.53Å; D647-V651 VanDerWaalsContact O-CA 3.3Å; D647-V651 WeakPolarHBondContact O-CA 3.36Å; D647-V651 WeakPolarHBondContact O-CB 3.32Å; D647-V651 PolarHBondContact O-N 3.21Å; D647-G652 PolarHBondContact O-N 3.31Å
648	W	74.3	Confident	69.2	Low	23 Å²	23	47.8 Å²	47.8	9%	0.087	27%	0.267	C	S	.	.	H	α-helix	trans	-69.9	-37.3	174.7	-176.8	-118.5	0	0	0	113.9	L644 I645 V646 F654 V661 G665 I669	L644-W648 WeakPolarHBondContact O-CB 3.2Å; L644-W648 PolarHBondContact O-N 3.33Å; I645-W648 PolarHBondContact O-N 2.88Å; V646-W648 VanDerWaalsContact C-N 3.28Å; V646-W648 PolarHBondContact O-N 3.25Å; W648-F654 HydrophobicContact CD2-CD2 4.23Å; W648-F654 HydrophobicContact CE3-CB 3.78Å; W648-F654 AromaticContact CE3-CD2 3.98Å; W648-F654 HydrophobicContact CE3-CD2 3.98Å; W648-F654 HydrophobicContact CE3-CG 4.15Å; W648-F654 HydrophobicContact CZ3-CB 3.72Å; W648-F654 HydrophobicContact CZ3-CD2 4.42Å; W648-F654 HydrophobicContact CZ3-CG 4.18Å; W648-V661 PolarHBondContact NE1-O 2.72Å; W648-G665 VanDerWaalsContact CE2-CA 3.43Å; W648-I669 HydrophobicContact CH2-CD1 3.69Å; W648-I669 HydrophobicContact CZ3-CD1 3.73Å
649	M	71.7	Confident	67.2	Low	5 Å²	5	53.6 Å²	53.6	3%	0.025	30%	0.297	C	S	.	.	H	α-helix	trans	-81	-11.2	-178.8	-75.2	-175.2	64.6	0	0	115.1	I645 V646 V664 I668 V712 A715	I645-M649 HydrophobicContact CG2-CG 4.27Å; I645-M649 HydrophobicContact CG2-SD 3.64Å; I645-M649 WeakPolarHBondContact O-CB 3.49Å; I645-M649 WeakPolarHBondContact O-CG 3.45Å; I645-M649 PolarHBondContact O-N 3.36Å; V646-M649 PolarHBondContact O-N 2.95Å; V646-M649 VanDerWaalsContact O-N 3.14Å; M649-V664 HydrophobicContact CE-CG1 4.38Å; M649-V664 HydrophobicContact CG-CB 4.23Å; M649-V664 HydrophobicContact CG-CG1 4.13Å; M649-I668 VanDerWaalsContact C-CD1 3.41Å; M649-I668 WeakPolarHBondContact O-CD1 3.44Å; M649-V712 HydrophobicContact CE-CB 4.46Å; M649-V712 HydrophobicContact CE-CG1 4.05Å; M649-V712 HydrophobicContact SD-CG1 3.97Å; M649-V712 HydrophobicContact SD-CG2 4.28Å; M649-A715 HydrophobicContact CE-CB 3.6Å
650	F	71.8	Confident	65.5	Low	19 Å²	19	58.9 Å²	58.9	8%	0.083	32%	0.323	C	S	.	.	H	α-helix	trans	-132.9	-27.9	179.7	-61.7	-75.2	0	0	0	114.7	V646 F684 Q687 R688 L691 A715	V646-F650 HydrophobicContact CG1-CD2 4Å; V646-F650 WeakPolarHBondContact O-CD2 3.48Å; V646-F650 PolarHBondContact O-N 2.99Å; F650-F684 HydrophobicContact CD1-CB 4.18Å; F650-F684 HydrophobicContact CD1-CD1 4.26Å; F650-F684 HydrophobicContact CE1-CB 4.28Å; F650-F684 HydrophobicContact CE1-CD1 4.35Å; F650-F684 WeakPolarHBondContact CE1-O 3.48Å; F650-Q687 HydrophobicContact CE1-CB 4.22Å; F650-Q687 HydrophobicContact CZ-CB 4.08Å; F650-R688 HydrophobicContact CB-CG 4.38Å; F650-R688 HydrophobicContact CD1-CB 3.88Å; F650-R688 HydrophobicContact CD1-CG 4.48Å; F650-R688 HydrophobicContact CD2-CB 3.9Å; F650-R688 HydrophobicContact CD2-CG 3.88Å; F650-R688 HydrophobicContact CE1-CB 3.94Å; F650-R688 HydrophobicContact CE2-CB 3.98Å; F650-R688 HydrophobicContact CE2-CG 4.32Å; F650-R688 HydrophobicContact CG-CB 3.87Å; F650-R688 HydrophobicContact CG-CG 3.97Å; F650-R688 HydrophobicContact CZ-CB 4Å; F650-L691 HydrophobicContact CE2-CD1 3.76Å; F650-L691 HydrophobicContact CZ-CD1 3.97Å; F650-A715 HydrophobicContact CZ-CB 4.37Å
651	V	69.6	Low	64.1	Low	46 Å²	46	58.7 Å²	58.7	28%	0.279	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-31.2	177.4	-170	0	0	0	0	111.5	D647 A653 R672	D647-V651 CarbonylContact O-C 3.53Å; D647-V651 VanDerWaalsContact O-CA 3.3Å; D647-V651 WeakPolarHBondContact O-CA 3.36Å; D647-V651 WeakPolarHBondContact O-CB 3.32Å; D647-V651 PolarHBondContact O-N 3.21Å; V651-A653 HydrophobicContact CG1-CB 4.05Å; V651-A653 PolarHBondContact O-N 3.4Å; V651-R672 PolarHBondContact O-NH1 3.01Å
652	G	64.7	Low	63.2	Low	13 Å²	13	60.6 Å²	60.6	13%	0.134	33%	0.334	C	S	.	.			trans	68.8	21.2	-174.3	0	0	0	0	0	113.4	D647	D647-G652 PolarHBondContact O-N 3.31Å
653	A	62	Low	62	Low	40 Å²	40	65 Å²	65	33%	0.331	36%	0.358	S	S	.	.			trans	-94	149.7	170	0	0	0	0	0	109.8	V651	V651-A653 HydrophobicContact CG1-CB 4.05Å; V651-A653 PolarHBondContact O-N 3.4Å
654	F	61.4	Low	61	Low	76 Å²	76	60.6 Å²	60.6	33%	0.333	35%	0.345	S	S	.	.			trans	-147.5	89.9	-172.3	-164.6	-114.3	0	0	0	111.8	W648 S656 S658	W648-F654 HydrophobicContact CD2-CD2 4.23Å; W648-F654 HydrophobicContact CE3-CB 3.78Å; W648-F654 AromaticContact CE3-CD2 3.98Å; W648-F654 HydrophobicContact CE3-CD2 3.98Å; W648-F654 HydrophobicContact CE3-CG 4.15Å; W648-F654 HydrophobicContact CZ3-CB 3.72Å; W648-F654 HydrophobicContact CZ3-CD2 4.42Å; W648-F654 HydrophobicContact CZ3-CG 4.18Å; F654-S656 VanDerWaalsContact CD1-O 3.28Å; F654-S656 WeakPolarHBondContact CD1-O 3.48Å; F654-S656 WeakPolarHBondContact CE1-O 3.39Å; F654-S656 PolarHBondContact O-N 3.01Å; F654-S658 WeakPolarHBondContact CZ-O 3.42Å
655	D	52.7	Low	60.5	Low	148 Å²	148	59.1 Å²	59.1	79%	0.791	34%	0.337	S	S	*	.			trans	-97	52.4	-177	-64.5	-33.9	0	0	0	112.2
656	S	51.7	Low	60	Low	51 Å²	51	63.1 Å²	63.1	36%	0.357	35%	0.354	S	S	.	.	S	Bend	trans	-163	149.6	166.3	-82.6	0	0	0	0	112.6	F654 S658	F654-S656 VanDerWaalsContact CD1-O 3.28Å; F654-S656 WeakPolarHBondContact CD1-O 3.48Å; F654-S656 WeakPolarHBondContact CE1-O 3.39Å; F654-S656 PolarHBondContact O-N 3.01Å; S656-S658 PolarHBondContact O-N 3.46Å
657	P	40.4	Very low	59.5	Low	138 Å²	138	63.4 Å²	63.4	90%	0.896	36%	0.356	S	S	*	.			trans	-100.4	71	-173.4	38.8	-35.2	0	0	0	113.7
658	S	42.8	Very low	59.2	Low	51 Å²	51	61.2 Å²	61.2	36%	0.357	34%	0.344	S	S	.	.			trans	-142	126.7	172.8	60.2	0	0	0	0	111.9	F654 S656 D660	F654-S658 WeakPolarHBondContact CZ-O 3.42Å; S656-S658 PolarHBondContact O-N 3.46Å; S658-D660 VanDerWaalsContact C-N 3.28Å; S658-D660 PolarHBondContact O-N 3.15Å; S658-D660 VanDerWaalsContact O-N 3.09Å
659	D	40.4	Very low	59	Low	127 Å²	127	63.1 Å²	63.1	68%	0.679	36%	0.355	S	S	*	.	S	Bend	trans	-73.1	3.6	-163.7	-89.1	-46.6	0	0	0	116.9	V661 L662	D659-V661 PolarHBondContact O-N 2.96Å; D659-L662 HydrophobicContact CB-CD1 4.39Å; D659-L662 WeakPolarHBondContact O-CD1 3.24Å; D659-L662 WeakPolarHBondContact O-CG 3.37Å
660	D	45.4	Very low	58.9	Low	148 Å²	148	63.7 Å²	63.7	79%	0.791	36%	0.357	S	S	*	.	S	Bend	trans	-88.2	9.9	-163	-67.2	-51.9	0	0	0	117.1	S658	S658-D660 VanDerWaalsContact C-N 3.28Å; S658-D660 PolarHBondContact O-N 3.15Å; S658-D660 VanDerWaalsContact O-N 3.09Å
661	V	49.5	Very low	58.9	Low	49 Å²	49	62.9 Å²	62.9	30%	0.297	35%	0.354	S	S	.	.			trans	-124.8	42.1	-178.6	-158	0	0	0	0	112.6	W648 D659 L663	W648-V661 PolarHBondContact NE1-O 2.72Å; D659-V661 PolarHBondContact O-N 2.96Å; V661-L663 PolarHBondContact O-N 2.92Å
662	L	59.8	Low	58.9	Low	83 Å²	83	66.3 Å²	66.3	44%	0.435	36%	0.362	S	S	.	.			trans	-83.5	-9.5	-159	-83.6	169.5	0	0	0	120	D659 K666	D659-L662 HydrophobicContact CB-CD1 4.39Å; D659-L662 WeakPolarHBondContact O-CD1 3.24Å; D659-L662 WeakPolarHBondContact O-CG 3.37Å; L662-K666 WeakPolarHBondContact O-CD 3.49Å; L662-K666 WeakPolarHBondContact O-CE 3.49Å; L662-K666 WeakPolarHBondContact O-CG 3.45Å; L662-K666 PolarHBondContact O-NZ 3.39Å; L662-K666 VanDerWaalsContact O-NZ 3.1Å
663	L	57.1	Low	59.2	Low	115 Å²	115	71.9 Å²	71.9	60%	0.602	39%	0.389	S	S	*	.	S	Bend	trans	-93.2	-52.9	-166.9	-161.6	65.5	0	0	0	115.1	V661	V661-L663 PolarHBondContact O-N 2.92Å
664	V	58.9	Low	59.3	Low	31 Å²	31	72.1 Å²	72.1	19%	0.188	38%	0.384	C	S	.	.	H	α-helix	trans	-68.8	-48.7	-167.9	-161.9	0	0	0	0	112.1	M649 K666 S667 I668 C716	M649-V664 HydrophobicContact CE-CG1 4.38Å; M649-V664 HydrophobicContact CG-CB 4.23Å; M649-V664 HydrophobicContact CG-CG1 4.13Å; V664-K666 PolarHBondContact O-N 3.04Å; V664-K666 VanDerWaalsContact O-N 3.15Å; V664-S667 WeakPolarHBondContact O-CB 3.42Å; V664-S667 PolarHBondContact O-N 3.42Å; V664-I668 HydrophobicContact CG1-CD1 3.94Å; V664-I668 PolarHBondContact O-N 3.07Å; V664-C716 WeakPolarHBondContact CG2-SG 3.47Å
665	G	64.5	Low	59.4	Low	0 Å²	0	70.2 Å²	70.2	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-59.9	-26.5	-177.9	0	0	0	0	0	114.1	W648 S667 I668 I669	W648-G665 VanDerWaalsContact CE2-CA 3.43Å; G665-S667 VanDerWaalsContact C-N 3.31Å; G665-S667 PolarHBondContact O-N 2.88Å; G665-I668 PolarHBondContact O-N 2.91Å; G665-I668 VanDerWaalsContact O-N 3.16Å; G665-I669 VanDerWaalsContact O-CB 3.32Å; G665-I669 WeakPolarHBondContact O-CB 3.42Å; G665-I669 WeakPolarHBondContact O-CD1 3.4Å; G665-I669 WeakPolarHBondContact O-CG1 3.48Å; G665-I669 PolarHBondContact O-N 3.39Å
666	K	67.7	Low	59.7	Low	111 Å²	111	68.2 Å²	68.2	48%	0.483	38%	0.377	S	S	.	.	H	α-helix	trans	-59.2	-41.6	172.9	-70.9	173.8	-177.9	154.6	0	112.1	L662 V664 Y670	L662-K666 WeakPolarHBondContact O-CD 3.49Å; L662-K666 WeakPolarHBondContact O-CE 3.49Å; L662-K666 WeakPolarHBondContact O-CG 3.45Å; L662-K666 PolarHBondContact O-NZ 3.39Å; L662-K666 VanDerWaalsContact O-NZ 3.1Å; V664-K666 PolarHBondContact O-N 3.04Å; V664-K666 VanDerWaalsContact O-N 3.15Å; K666-Y670 WeakPolarHBondContact O-CB 3.45Å; K666-Y670 PolarHBondContact O-N 3.45Å
667	S	67.3	Low	59.8	Low	12 Å²	12	71.5 Å²	71.5	8%	0.084	39%	0.387	C	S	.	.	H	α-helix	trans	-68	-35	176.6	-69.1	0	0	0	0	112.2	V664 G665 Y670 V671	V664-S667 WeakPolarHBondContact O-CB 3.42Å; V664-S667 PolarHBondContact O-N 3.42Å; G665-S667 VanDerWaalsContact C-N 3.31Å; G665-S667 PolarHBondContact O-N 2.88Å; S667-Y670 WeakPolarHBondContact O-CB 3.4Å; S667-Y670 PolarHBondContact O-N 2.99Å; S667-V671 WeakPolarHBondContact O-CG2 3.42Å; S667-V671 PolarHBondContact O-N 3.48Å; S667-V671 VanDerWaalsContact O-N 3.1Å
668	I	68.8	Low	60.6	Low	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-74.3	-43.1	177.8	-68.9	141.9	0	0	0	111.4	M649 V664 G665 Y670 V671 R672 F678 V719	M649-I668 VanDerWaalsContact C-CD1 3.41Å; M649-I668 WeakPolarHBondContact O-CD1 3.44Å; V664-I668 HydrophobicContact CG1-CD1 3.94Å; V664-I668 PolarHBondContact O-N 3.07Å; G665-I668 PolarHBondContact O-N 2.91Å; G665-I668 VanDerWaalsContact O-N 3.16Å; I668-Y670 VanDerWaalsContact C-N 3.25Å; I668-Y670 PolarHBondContact O-N 3.35Å; I668-V671 PolarHBondContact O-N 3.12Å; I668-R672 VanDerWaalsContact O-CB 3.29Å; I668-R672 WeakPolarHBondContact O-CB 3.43Å; I668-R672 PolarHBondContact O-N 2.96Å; I668-F678 HydrophobicContact CG1-CZ 4.19Å; I668-F678 HydrophobicContact CG2-CD1 4.43Å; I668-F678 HydrophobicContact CG2-CE1 3.66Å; I668-F678 HydrophobicContact CG2-CZ 4.06Å; I668-V719 HydrophobicContact CG1-CG1 3.97Å
669	I	70.5	Confident	61.2	Low	62 Å²	62	70.9 Å²	70.9	32%	0.318	37%	0.366	S	S	.	.	H	α-helix	trans	-59.3	-38.8	172.1	-70	164.2	0	0	0	110.1	W648 G665 N673	W648-I669 HydrophobicContact CH2-CD1 3.69Å; W648-I669 HydrophobicContact CZ3-CD1 3.73Å; G665-I669 VanDerWaalsContact O-CB 3.32Å; G665-I669 WeakPolarHBondContact O-CB 3.42Å; G665-I669 WeakPolarHBondContact O-CD1 3.4Å; G665-I669 WeakPolarHBondContact O-CG1 3.48Å; G665-I669 PolarHBondContact O-N 3.39Å; I669-N673 VanDerWaalsContact CG2-ND2 3.34Å; I669-N673 WeakPolarHBondContact CG2-ND2 3.49Å; I669-N673 VanDerWaalsContact O-CB 3.31Å; I669-N673 WeakPolarHBondContact O-CB 3.26Å; I669-N673 VanDerWaalsContact O-CG 3.31Å; I669-N673 PolarHBondContact O-N 3.25Å; I669-N673 PolarHBondContact O-ND2 2.79Å
670	Y	70.4	Confident	61.9	Low	17 Å²	17	70.3 Å²	70.3	7%	0.067	36%	0.363	C	S	.	.	H	α-helix	trans	-58.1	-56.2	170.8	170.1	-97.6	0	0	0	111.3	K666 S667 I668 R672 N673 I674 V723 P825 T828 F922	K666-Y670 WeakPolarHBondContact O-CB 3.45Å; K666-Y670 PolarHBondContact O-N 3.45Å; S667-Y670 WeakPolarHBondContact O-CB 3.4Å; S667-Y670 PolarHBondContact O-N 2.99Å; I668-Y670 VanDerWaalsContact C-N 3.25Å; I668-Y670 PolarHBondContact O-N 3.35Å; Y670-R672 PolarHBondContact O-N 3.42Å; Y670-N673 PolarHBondContact O-N 2.9Å; Y670-I674 HydrophobicContact CD1-CD1 4.17Å; Y670-I674 HydrophobicContact CD2-CD1 3.42Å; Y670-I674 VanDerWaalsContact CD2-CD1 3.42Å; Y670-I674 HydrophobicContact CE1-CD1 3.93Å; Y670-I674 HydrophobicContact CE2-CD1 3.12Å; Y670-I674 HydrophobicContact CG-CD1 3.94Å; Y670-I674 VanDerWaalsContact CZ-CD1 3.4Å; Y670-I674 WeakPolarHBondContact O-CD1 3.48Å; Y670-I674 WeakPolarHBondContact O-CG1 3.28Å; Y670-V723 HydrophobicContact CD1-CG1 4.05Å; Y670-V723 HydrophobicContact CD1-CG2 4.43Å; Y670-V723 HydrophobicContact CE1-CG1 3.91Å; Y670-P825 WeakPolarHBondContact CE2-O 3.47Å; Y670-T828 VanDerWaalsContact CD2-OG1 3.29Å; Y670-T828 WeakPolarHBondContact CD2-OG1 3.49Å; Y670-T828 WeakPolarHBondContact CE2-OG1 3.44Å; Y670-F922 HydrophobicContact CD1-CD2 4.48Å; Y670-F922 HydrophobicContact CD1-CE2 4.15Å; Y670-F922 AromaticContact CD2-CE2 3.96Å; Y670-F922 HydrophobicContact CD2-CE2 3.96Å; Y670-F922 HydrophobicContact CD2-CZ 4.01Å; Y670-F922 HydrophobicContact CE1-CD2 4.36Å; Y670-F922 AromaticContact CE1-CE2 3.93Å; Y670-F922 HydrophobicContact CE1-CE2 3.93Å; Y670-F922 AromaticContact CE2-CE2 3.72Å; Y670-F922 HydrophobicContact CE2-CE2 3.72Å; Y670-F922 HydrophobicContact CE2-CZ 4.02Å; Y670-F922 HydrophobicContact CG-CE2 4.18Å; Y670-F922 HydrophobicContact CG-CZ 4.45Å; Y670-F922 AromaticContact CZ-CE2 3.71Å
671	V	70.3	Confident	62.6	Low	2 Å²	2	65.4 Å²	65.4	1%	0.012	34%	0.336	C	S	.	.	H	α-helix	trans	-62.9	-43	-179.7	-173.3	0	0	0	0	112	S667 I668 N673 I674 C675 F678 V723 I726	S667-V671 WeakPolarHBondContact O-CG2 3.42Å; S667-V671 PolarHBondContact O-N 3.48Å; S667-V671 VanDerWaalsContact O-N 3.1Å; I668-V671 PolarHBondContact O-N 3.12Å; V671-N673 VanDerWaalsContact C-N 3.31Å; V671-N673 PolarHBondContact O-N 3.41Å; V671-I674 CarbonylContact O-C 3.54Å; V671-I674 PolarHBondContact O-N 3.23Å; V671-C675 HydrophobicContact CG1-CB 4.03Å; V671-C675 PolarHBondContact O-N 3.4Å; V671-F678 HydrophobicContact CB-CD2 3.85Å; V671-F678 HydrophobicContact CB-CE2 4.04Å; V671-F678 HydrophobicContact CG1-CB 4.48Å; V671-F678 HydrophobicContact CG1-CD2 3.36Å; V671-F678 HydrophobicContact CG1-CE2 3.91Å; V671-F678 HydrophobicContact CG1-CG 4.21Å; V671-V723 HydrophobicContact CG2-CG2 3.49Å; V671-V723 VanDerWaalsContact CG2-CG2 3.49Å; V671-I726 HydrophobicContact CG1-CD1 3.88Å
672	R	70.9	Confident	63.2	Low	118 Å²	118	67.6 Å²	67.6	45%	0.445	35%	0.352	S	S	.	.	H	α-helix	trans	-62.7	-33.7	-179.2	-169.7	175.7	-173.8	-172.3	-0.8	113.2	V651 I668 Y670 I674	V651-R672 PolarHBondContact O-NH1 3.01Å; I668-R672 VanDerWaalsContact O-CB 3.29Å; I668-R672 WeakPolarHBondContact O-CB 3.43Å; I668-R672 PolarHBondContact O-N 2.96Å; Y670-R672 PolarHBondContact O-N 3.42Å; R672-I674 PolarHBondContact O-N 3.04Å
673	N	70.1	Confident	63.2	Low	131 Å²	131	65.7 Å²	65.7	70%	0.701	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-5.9	174.7	-80.2	-50.4	0	0	0	114.1	I669 Y670 V671	I669-N673 VanDerWaalsContact CG2-ND2 3.34Å; I669-N673 WeakPolarHBondContact CG2-ND2 3.49Å; I669-N673 VanDerWaalsContact O-CB 3.31Å; I669-N673 WeakPolarHBondContact O-CB 3.26Å; I669-N673 VanDerWaalsContact O-CG 3.31Å; I669-N673 PolarHBondContact O-N 3.25Å; I669-N673 PolarHBondContact O-ND2 2.79Å; Y670-N673 PolarHBondContact O-N 2.9Å; V671-N673 VanDerWaalsContact C-N 3.31Å; V671-N673 PolarHBondContact O-N 3.41Å
674	I	65.8	Low	63.7	Low	44 Å²	44	61 Å²	61	23%	0.226	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.8	-36	-167	-67.1	173.6	0	0	0	111.7	Y670 V671 R672 F731 P825	Y670-I674 HydrophobicContact CD1-CD1 4.17Å; Y670-I674 HydrophobicContact CD2-CD1 3.42Å; Y670-I674 VanDerWaalsContact CD2-CD1 3.42Å; Y670-I674 HydrophobicContact CE1-CD1 3.93Å; Y670-I674 HydrophobicContact CE2-CD1 3.12Å; Y670-I674 HydrophobicContact CG-CD1 3.94Å; Y670-I674 VanDerWaalsContact CZ-CD1 3.4Å; Y670-I674 WeakPolarHBondContact O-CD1 3.48Å; Y670-I674 WeakPolarHBondContact O-CG1 3.28Å; V671-I674 CarbonylContact O-C 3.54Å; V671-I674 PolarHBondContact O-N 3.23Å; R672-I674 PolarHBondContact O-N 3.04Å; I674-F731 HydrophobicContact CG2-CE2 3.37Å; I674-F731 HydrophobicContact CG2-CZ 3.39Å; I674-P825 HydrophobicContact CB-CG 4.42Å; I674-P825 HydrophobicContact CD1-CB 3.8Å; I674-P825 HydrophobicContact CD1-CG 4.09Å; I674-P825 HydrophobicContact CG1-CB 4.25Å; I674-P825 HydrophobicContact CG1-CG 3.97Å; I674-P825 HydrophobicContact CG2-CB 4.1Å; I674-P825 HydrophobicContact CG2-CG 3.7Å
675	C	62.3	Low	64.2	Low	36 Å²	36	64.8 Å²	64.8	24%	0.243	34%	0.338	C	S	.	.			trans	-118.6	108.1	178.4	-64.6	0	0	0	0	108.7	V671 H677 F678	V671-C675 HydrophobicContact CG1-CB 4.03Å; V671-C675 PolarHBondContact O-N 3.4Å; C675-H677 PolarHBondContact O-N 3.5Å; C675-F678 PolarHBondContact O-N 2.94Å
676	S	58.1	Low	64.6	Low	106 Å²	106	71.5 Å²	71.5	74%	0.741	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-9.7	173.7	48.8	0	0	0	0	114.3
677	H	55.4	Low	64.9	Low	120 Å²	120	66.3 Å²	66.3	56%	0.556	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	30.2	-175.2	-61.6	-74.3	0	0	0	112.2	C675 E679 D680	C675-H677 PolarHBondContact O-N 3.5Å; H677-E679 PolarHBondContact O-N 2.88Å; H677-D680 WeakPolarHBondContact CB-OD2 3.34Å; H677-D680 IonicContact CG-OD2 2.76Å; H677-D680 IonicContact ND1-OD2 2.67Å; H677-D680 PolarHBondContact ND1-OD2 3.13Å; H677-D680 PolarHBondContact O-N 3.28Å
678	F	55.8	Low	65.4	Low	17 Å²	17	69.7 Å²	69.7	8%	0.075	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-62.7	-27.7	178.6	-177.7	-111.3	0	0	0	112.8	I668 V671 C675 D680 I681 F684	I668-F678 HydrophobicContact CG1-CZ 4.19Å; I668-F678 HydrophobicContact CG2-CD1 4.43Å; I668-F678 HydrophobicContact CG2-CE1 3.66Å; I668-F678 HydrophobicContact CG2-CZ 4.06Å; V671-F678 HydrophobicContact CB-CD2 3.85Å; V671-F678 HydrophobicContact CB-CE2 4.04Å; V671-F678 HydrophobicContact CG1-CB 4.48Å; V671-F678 HydrophobicContact CG1-CD2 3.36Å; V671-F678 HydrophobicContact CG1-CE2 3.91Å; V671-F678 HydrophobicContact CG1-CG 4.21Å; C675-F678 PolarHBondContact O-N 2.94Å; F678-D680 PolarHBondContact O-N 3.39Å; F678-I681 HydrophobicContact CD2-CD1 3.8Å; F678-I681 HydrophobicContact CE2-CD1 4.16Å; F678-F684 HydrophobicContact CE2-CD1 4.36Å; F678-F684 AromaticContact CE2-CE1 3.81Å; F678-F684 HydrophobicContact CE2-CE1 3.81Å; F678-F684 HydrophobicContact CE2-CE2 4.19Å; F678-F684 AromaticContact CE2-CZ 3.72Å; F678-F684 HydrophobicContact CE2-CZ 3.72Å; F678-F684 AromaticContact CZ-CD1 3.85Å; F678-F684 HydrophobicContact CZ-CD1 3.85Å; F678-F684 AromaticContact CZ-CE1 3.54Å; F678-F684 HydrophobicContact CZ-CE1 3.54Å; F678-F684 HydrophobicContact CZ-CG 4.49Å; F678-F684 AromaticContact CZ-CZ 3.97Å; F678-F684 HydrophobicContact CZ-CZ 3.97Å
679	E	55.6	Low	65.9	Low	160 Å²	160	73.8 Å²	73.8	75%	0.748	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-66.5	-23.6	177.9	-66.3	167.8	-167.5	0	0	112.4	H677 I681	H677-E679 PolarHBondContact O-N 2.88Å; E679-I681 PolarHBondContact O-N 2.87Å
680	D	55	Low	66.4	Low	115 Å²	115	74 Å²	74	62%	0.615	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-84.8	8	-174.6	-66.8	-58.4	0	0	0	114.9	H677 F678 P682	H677-D680 WeakPolarHBondContact CB-OD2 3.34Å; H677-D680 IonicContact CG-OD2 2.76Å; H677-D680 IonicContact ND1-OD2 2.67Å; H677-D680 PolarHBondContact ND1-OD2 3.13Å; H677-D680 PolarHBondContact O-N 3.28Å; F678-D680 PolarHBondContact O-N 3.39Å; D680-P682 VanDerWaalsContact O-CD 3.25Å; D680-P682 WeakPolarHBondContact O-CD 3.43Å
681	I	60.6	Low	66.8	Low	44 Å²	44	73.2 Å²	73.2	23%	0.226	37%	0.373	C	S	.	.			trans	-95	102.9	-172.4	-47.7	177.5	0	0	0	111.8	F678 E679 A683 F684 V722	F678-I681 HydrophobicContact CD2-CD1 3.8Å; F678-I681 HydrophobicContact CE2-CD1 4.16Å; E679-I681 PolarHBondContact O-N 2.87Å; I681-A683 PolarHBondContact O-N 2.94Å; I681-F684 HydrophobicContact CB-CD2 3.69Å; I681-F684 HydrophobicContact CB-CE2 4.06Å; I681-F684 HydrophobicContact CD1-CD2 4.48Å; I681-F684 HydrophobicContact CD1-CE2 4.07Å; I681-F684 HydrophobicContact CG2-CD2 3.59Å; I681-F684 HydrophobicContact CG2-CE2 3.73Å; I681-F684 PolarHBondContact O-N 2.96Å; I681-V722 HydrophobicContact CD1-CG1 4.17Å
682	P	62.4	Low	67.4	Low	96 Å²	96	76.6 Å²	76.6	62%	0.623	39%	0.389	S	S	*	.	H	α-helix	trans	-68.8	-15.8	-164.4	-20.6	34.7	0	0	0	115	D680 F684 K686	D680-P682 VanDerWaalsContact O-CD 3.25Å; D680-P682 WeakPolarHBondContact O-CD 3.43Å; P682-F684 VanDerWaalsContact C-N 3.28Å; P682-F684 PolarHBondContact O-N 2.92Å; P682-K686 PolarHBondContact O-N 3Å
683	A	60.7	Low	68	Low	43 Å²	43	78.3 Å²	78.3	36%	0.355	40%	0.402	S	S	.	.	H	α-helix	trans	-70.3	-23.5	176.4	0	0	0	0	0	113.4	I681 R718	I681-A683 PolarHBondContact O-N 2.94Å; A683-R718 PolarHBondContact O-NH1 3.41Å
684	F	67	Low	68.6	Low	15 Å²	15	73.7 Å²	73.7	7%	0.066	38%	0.376	C	S	.	.	H	α-helix	trans	-84.4	-48.6	176.7	-70.4	-104.1	0	0	0	110.8	F650 F678 I681 P682 K686 Q687 R688 V719 V722	F650-F684 HydrophobicContact CD1-CB 4.18Å; F650-F684 HydrophobicContact CD1-CD1 4.26Å; F650-F684 HydrophobicContact CE1-CB 4.28Å; F650-F684 HydrophobicContact CE1-CD1 4.35Å; F650-F684 WeakPolarHBondContact CE1-O 3.48Å; F678-F684 HydrophobicContact CE2-CD1 4.36Å; F678-F684 AromaticContact CE2-CE1 3.81Å; F678-F684 HydrophobicContact CE2-CE1 3.81Å; F678-F684 HydrophobicContact CE2-CE2 4.19Å; F678-F684 AromaticContact CE2-CZ 3.72Å; F678-F684 HydrophobicContact CE2-CZ 3.72Å; F678-F684 AromaticContact CZ-CD1 3.85Å; F678-F684 HydrophobicContact CZ-CD1 3.85Å; F678-F684 AromaticContact CZ-CE1 3.54Å; F678-F684 HydrophobicContact CZ-CE1 3.54Å; F678-F684 HydrophobicContact CZ-CG 4.49Å; F678-F684 AromaticContact CZ-CZ 3.97Å; F678-F684 HydrophobicContact CZ-CZ 3.97Å; I681-F684 HydrophobicContact CB-CD2 3.69Å; I681-F684 HydrophobicContact CB-CE2 4.06Å; I681-F684 HydrophobicContact CD1-CD2 4.48Å; I681-F684 HydrophobicContact CD1-CE2 4.07Å; I681-F684 HydrophobicContact CG2-CD2 3.59Å; I681-F684 HydrophobicContact CG2-CE2 3.73Å; I681-F684 PolarHBondContact O-N 2.96Å; P682-F684 VanDerWaalsContact C-N 3.28Å; P682-F684 PolarHBondContact O-N 2.92Å; F684-K686 VanDerWaalsContact C-N 3.28Å; F684-K686 PolarHBondContact O-N 2.93Å; F684-Q687 CarbonylContact O-C 3.56Å; F684-Q687 WeakPolarHBondContact O-CA 3.5Å; F684-Q687 PolarHBondContact O-N 2.82Å; F684-R688 WeakPolarHBondContact O-CB 3.24Å; F684-R688 PolarHBondContact O-N 3.04Å; F684-V719 HydrophobicContact CD1-CG2 4.2Å; F684-V719 HydrophobicContact CE1-CB 4.04Å; F684-V719 HydrophobicContact CE1-CG1 4.22Å; F684-V719 HydrophobicContact CE1-CG2 3.48Å; F684-V719 VanDerWaalsContact CE1-CG2 3.48Å; F684-V719 HydrophobicContact CZ-CB 4.42Å; F684-V719 HydrophobicContact CZ-CG2 4.3Å; F684-V722 HydrophobicContact CE2-CB 4.17Å; F684-V722 HydrophobicContact CE2-CG1 4.08Å; F684-V722 HydrophobicContact CE2-CG2 3.98Å; F684-V722 HydrophobicContact CZ-CB 4.17Å; F684-V722 HydrophobicContact CZ-CG1 4.25Å; F684-V722 HydrophobicContact CZ-CG2 4.37Å
685	E	69.1	Low	69.3	Low	112 Å²	112	73.7 Å²	73.7	52%	0.523	38%	0.38	S	S	.	.	H	α-helix	trans	-55.3	-41.7	-179.4	-170.7	168.5	-132.6	0	0	112.2	Q687 R688 H689	E685-Q687 PolarHBondContact O-N 2.94Å; E685-R688 WeakPolarHBondContact O-CB 3.46Å; E685-R688 PolarHBondContact O-N 3.08Å; E685-H689 PolarHBondContact O-CD2 3.37Å; E685-H689 PolarHBondContact O-N 3.42Å
686	K	73.8	Confident	70.2	Confident	140 Å²	140	73.4 Å²	73.4	61%	0.609	38%	0.378	S	S	*	.	H	α-helix	trans	-62	-36.2	172.8	-177.8	168.2	-178.2	171.2	0	114	P682 F684 L690	P682-K686 PolarHBondContact O-N 3Å; F684-K686 VanDerWaalsContact C-N 3.28Å; F684-K686 PolarHBondContact O-N 2.93Å; K686-L690 WeakPolarHBondContact O-CD1 3.36Å; K686-L690 VanDerWaalsContact O-CG 3.27Å; K686-L690 WeakPolarHBondContact O-CG 3.36Å; K686-L690 PolarHBondContact O-N 3.15Å
687	Q	72.9	Confident	71.3	Confident	3 Å²	3	69.7 Å²	69.7	1%	0.014	35%	0.351	C	S	.	.	H	α-helix	trans	-78.3	-33.1	177.3	-79	-80.5	-32.5	0	0	111.8	F650 F684 E685 L690 L691 C711 E714 A715	F650-Q687 HydrophobicContact CE1-CB 4.22Å; F650-Q687 HydrophobicContact CZ-CB 4.08Å; F684-Q687 CarbonylContact O-C 3.56Å; F684-Q687 WeakPolarHBondContact O-CA 3.5Å; F684-Q687 PolarHBondContact O-N 2.82Å; E685-Q687 PolarHBondContact O-N 2.94Å; Q687-L690 PolarHBondContact O-N 2.71Å; Q687-L691 PolarHBondContact O-N 2.71Å; Q687-L691 VanDerWaalsContact O-N 3.16Å; Q687-C711 PolarHBondContact OE1-O 3.18Å; Q687-C711 PolarHBondContact OE1-SG 3.3Å; Q687-C711 VanDerWaalsContact OE1-SG 3.41Å; Q687-E714 PolarHBondContact NE2-OE2 3.36Å; Q687-A715 HydrophobicContact CB-CB 4.4Å
688	R	77.6	Confident	72.5	Confident	82 Å²	82	66.4 Å²	66.4	31%	0.309	34%	0.336	S	S	.	.	H	α-helix	trans	-59.5	-54.5	172.7	-178.2	-173.6	166.5	143.5	14	110.5	V646 F650 F684 E685 L690 L691 E692	V646-R688 HydrophobicContact CG1-CG 4.33Å; F650-R688 HydrophobicContact CB-CG 4.38Å; F650-R688 HydrophobicContact CD1-CB 3.88Å; F650-R688 HydrophobicContact CD1-CG 4.48Å; F650-R688 HydrophobicContact CD2-CB 3.9Å; F650-R688 HydrophobicContact CD2-CG 3.88Å; F650-R688 HydrophobicContact CE1-CB 3.94Å; F650-R688 HydrophobicContact CE2-CB 3.98Å; F650-R688 HydrophobicContact CE2-CG 4.32Å; F650-R688 HydrophobicContact CG-CB 3.87Å; F650-R688 HydrophobicContact CG-CG 3.97Å; F650-R688 HydrophobicContact CZ-CB 4Å; F684-R688 WeakPolarHBondContact O-CB 3.24Å; F684-R688 PolarHBondContact O-N 3.04Å; E685-R688 WeakPolarHBondContact O-CB 3.46Å; E685-R688 PolarHBondContact O-N 3.08Å; R688-L690 VanDerWaalsContact C-N 3.33Å; R688-L690 PolarHBondContact O-N 3.26Å; R688-L691 CarbonylContact O-C 3.59Å; R688-L691 PolarHBondContact O-N 3.42Å; R688-E692 HydrophobicContact CG-CG 4.33Å; R688-E692 IonicContact CZ-OE1 2.99Å; R688-E692 VanDerWaalsContact CZ-OE1 3.26Å; R688-E692 IonicContact NE-OE1 2.73Å; R688-E692 PolarHBondContact NE-OE1 2.87Å; R688-E692 IonicContact NE-OE2 2.68Å; R688-E692 IonicContact NH2-OE1 3.02Å; R688-E692 PolarHBondContact NH2-OE1 3.32Å; R688-E692 WeakPolarHBondContact O-CG 3.36Å; R688-E692 PolarHBondContact O-N 2.98Å
689	H	80.3	Confident	73.7	Confident	87 Å²	87	67 Å²	67	40%	0.403	34%	0.339	S	S	.	.	H	α-helix	trans	-59.1	-41.3	178.4	-68.3	-31	0	0	0	112.7	E685 L691 E692 E693	E685-H689 PolarHBondContact O-CD2 3.37Å; E685-H689 PolarHBondContact O-N 3.42Å; H689-L691 VanDerWaalsContact C-N 3.27Å; H689-L691 PolarHBondContact O-N 3.22Å; H689-E692 IonicContact CE1-OE2 2.71Å; H689-E692 IonicContact ND1-OE2 2.81Å; H689-E692 PolarHBondContact ND1-OE2 2.98Å; H689-E692 PolarHBondContact O-N 3.22Å; H689-E692 VanDerWaalsContact O-N 3.15Å; H689-E693 WeakPolarHBondContact O-CB 2.93Å; H689-E693 VanDerWaalsContact O-CG 3.32Å; H689-E693 WeakPolarHBondContact O-CG 3.21Å; H689-E693 PolarHBondContact O-N 2.78Å
690	L	80	Confident	74.9	Confident	66 Å²	66	60 Å²	60	35%	0.346	31%	0.306	S	S	.	.	H	α-helix	trans	-59.4	-36.1	175.2	-73.4	168.4	0	0	0	112.8	K686 Q687 R688 M694	K686-L690 WeakPolarHBondContact O-CD1 3.36Å; K686-L690 VanDerWaalsContact O-CG 3.27Å; K686-L690 WeakPolarHBondContact O-CG 3.36Å; K686-L690 PolarHBondContact O-N 3.15Å; Q687-L690 PolarHBondContact O-N 2.71Å; R688-L690 VanDerWaalsContact C-N 3.33Å; R688-L690 PolarHBondContact O-N 3.26Å; L690-M694 VanDerWaalsContact O-CG 3.3Å; L690-M694 WeakPolarHBondContact O-CG 3.25Å; L690-M694 PolarHBondContact O-N 2.94Å
691	L	78.8	Confident	76	Confident	1 Å²	1	57 Å²	57	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-80.2	-29.9	175.8	-72.6	164.4	0	0	0	112.7	K642 V646 F650 Q687 R688 H689 F708 C711 V712	K642-L691 WeakPolarHBondContact CE-O 3.42Å; K642-L691 PolarHBondContact NZ-O 2.97Å; V646-L691 HydrophobicContact CG2-CB 3.91Å; F650-L691 HydrophobicContact CE2-CD1 3.76Å; F650-L691 HydrophobicContact CZ-CD1 3.97Å; Q687-L691 PolarHBondContact O-N 2.71Å; Q687-L691 VanDerWaalsContact O-N 3.16Å; R688-L691 CarbonylContact O-C 3.59Å; R688-L691 PolarHBondContact O-N 3.42Å; H689-L691 VanDerWaalsContact C-N 3.27Å; H689-L691 PolarHBondContact O-N 3.22Å; L691-F708 HydrophobicContact CD2-CD2 3.92Å; L691-F708 HydrophobicContact CD2-CE2 3.72Å; L691-C711 HydrophobicContact CD2-CB 3.94Å; L691-C711 HydrophobicContact CG-CB 4.48Å; L691-V712 HydrophobicContact CD2-CG2 4.09Å
692	E	82.5	Confident	76.7	Confident	73 Å²	73	60.4 Å²	60.4	34%	0.341	30%	0.304	S	S	.	.	H	α-helix	trans	-68.9	-38.9	172.9	-72.7	172.5	154.2	0	0	111.9	K642 V646 R688 H689	K642-E692 VanDerWaalsContact NZ-C 3.34Å; K642-E692 PolarHBondContact NZ-O 3.43Å; V646-E692 HydrophobicContact CG1-CG 4.05Å; R688-E692 HydrophobicContact CG-CG 4.33Å; R688-E692 IonicContact CZ-OE1 2.99Å; R688-E692 VanDerWaalsContact CZ-OE1 3.26Å; R688-E692 IonicContact NE-OE1 2.73Å; R688-E692 PolarHBondContact NE-OE1 2.87Å; R688-E692 IonicContact NE-OE2 2.68Å; R688-E692 IonicContact NH2-OE1 3.02Å; R688-E692 PolarHBondContact NH2-OE1 3.32Å; R688-E692 WeakPolarHBondContact O-CG 3.36Å; R688-E692 PolarHBondContact O-N 2.98Å; H689-E692 IonicContact CE1-OE2 2.71Å; H689-E692 IonicContact ND1-OE2 2.81Å; H689-E692 PolarHBondContact ND1-OE2 2.98Å; H689-E692 PolarHBondContact O-N 3.22Å; H689-E692 VanDerWaalsContact O-N 3.15Å
693	E	83.4	Confident	77.1	Confident	153 Å²	153	60 Å²	60	72%	0.715	30%	0.301	S	S	*	.	H	α-helix	trans	-72.7	-31	177.8	-73.7	175.7	173.4	0	0	114	H689 S695	H689-E693 WeakPolarHBondContact O-CB 2.93Å; H689-E693 VanDerWaalsContact O-CG 3.32Å; H689-E693 WeakPolarHBondContact O-CG 3.21Å; H689-E693 PolarHBondContact O-N 2.78Å; E693-S695 PolarHBondContact O-N 3.49Å
694	M	83.1	Confident	77.8	Confident	34 Å²	34	61 Å²	61	17%	0.167	30%	0.298	C	S	.	.	S	Bend	trans	-62.4	134.6	179	-78.2	-177.9	-157	0	0	112.3	K642 L690 H698 F708 C711	K642-M694 PolarHBondContact NZ-O 3.48Å; L690-M694 VanDerWaalsContact O-CG 3.3Å; L690-M694 WeakPolarHBondContact O-CG 3.25Å; L690-M694 PolarHBondContact O-N 2.94Å; M694-H698 HydrophobicContact CB-CB 4.48Å; M694-H698 WeakPolarHBondContact CG-ND1 3.28Å; M694-F708 HydrophobicContact SD-CB 4.44Å; M694-F708 HydrophobicContact SD-CD2 4.22Å; M694-C711 HydrophobicContact CE-CB 3.85Å
695	S	81.2	Confident	78	Confident	44 Å²	44	61.4 Å²	61.4	31%	0.308	30%	0.303	S	S	.	.			trans	-68	153.6	178.3	62.9	0	0	0	0	111.8	E693 T697 H698	E693-S695 PolarHBondContact O-N 3.49Å; S695-T697 PolarHBondContact O-N 3.49Å; S695-T697 PolarHBondContact OG-OG1 3.01Å; S695-H698 VanDerWaalsContact O-CB 3.31Å; S695-H698 WeakPolarHBondContact O-CB 3.36Å; S695-H698 PolarHBondContact O-N 2.75Å; S695-H698 PolarHBondContact OG-CD2 2.92Å; S695-H698 PolarHBondContact OG-NE2 3.42Å
696	P	80.3	Confident	78.6	Confident	31 Å²	31	59.8 Å²	59.8	20%	0.201	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-60.4	-25.6	177	-25.3	35.4	0	0	0	114.2	V635 C638 H698 M699	V635-P696 HydrophobicContact CG1-CB 4.39Å; C638-P696 HydrophobicContact CB-CB 4.3Å; P696-H698 PolarHBondContact O-N 3.01Å; P696-M699 PolarHBondContact O-N 2.96Å
697	T	81.2	Confident	79	Confident	27 Å²	27	54.8 Å²	54.8	17%	0.166	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-62.3	-28.4	174.5	53.9	0	0	0	0	112.8	V635 S695 M699 F700 Q701	V635-T697 HydrophobicContact CG2-CG2 3.52Å; S695-T697 PolarHBondContact O-N 3.49Å; S695-T697 PolarHBondContact OG-OG1 3.01Å; T697-M699 PolarHBondContact O-N 2.83Å; T697-F700 HydrophobicContact CG2-CZ 4.12Å; T697-F700 PolarHBondContact O-N 2.96Å; T697-F700 VanDerWaalsContact O-N 3.11Å; T697-Q701 VanDerWaalsContact CB-OE1 3.31Å; T697-Q701 WeakPolarHBondContact O-CB 3.28Å; T697-Q701 PolarHBondContact O-N 3.14Å
698	H	80.9	Confident	79.3	Confident	52 Å²	52	55.6 Å²	55.6	24%	0.241	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-62.7	-8.1	176.1	-68.2	-167.5	0	0	0	113.6	M694 S695 P696 E704 S705 F708	M694-H698 HydrophobicContact CB-CB 4.48Å; M694-H698 WeakPolarHBondContact CG-ND1 3.28Å; S695-H698 VanDerWaalsContact O-CB 3.31Å; S695-H698 WeakPolarHBondContact O-CB 3.36Å; S695-H698 PolarHBondContact O-N 2.75Å; S695-H698 PolarHBondContact OG-CD2 2.92Å; S695-H698 PolarHBondContact OG-NE2 3.42Å; P696-H698 PolarHBondContact O-N 3.01Å; H698-E704 HydrophobicContact CB-CB 4.09Å; H698-E704 CarbonylContact O-C 3.49Å; H698-S705 WeakPolarHBondContact O-CA 3.16Å; H698-S705 PolarHBondContact O-N 3.09Å; H698-F708 HydrophobicContact CB-CB 4.34Å; H698-F708 WeakPolarHBondContact O-CB 3.23Å
699	M	80.8	Confident	79.4	Confident	30 Å²	30	54.3 Å²	54.3	15%	0.148	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-77.4	-35.7	172.9	-63	-170.1	69.7	0	0	112.4	C638 L641 K642 I645 P696 T697 S705 F708	C638-M699 HydrophobicContact CB-CB 4.45Å; C638-M699 HydrophobicContact CB-SD 3.87Å; L641-M699 HydrophobicContact CB-CE 4.42Å; L641-M699 HydrophobicContact CD2-CE 3.76Å; L641-M699 HydrophobicContact CG-CE 3.94Å; K642-M699 HydrophobicContact CB-SD 3.84Å; K642-M699 HydrophobicContact CG-SD 4.39Å; I645-M699 HydrophobicContact CD1-CE 3.69Å; P696-M699 PolarHBondContact O-N 2.96Å; T697-M699 PolarHBondContact O-N 2.83Å; M699-S705 WeakPolarHBondContact O-CB 3.04Å; M699-S705 PolarHBondContact O-OG 3.2Å; M699-F708 HydrophobicContact CE-CE1 3.94Å; M699-F708 HydrophobicContact CE-CZ 4.11Å; M699-F708 HydrophobicContact CG-CD1 4.23Å; M699-F708 HydrophobicContact CG-CD2 4.46Å; M699-F708 HydrophobicContact CG-CE1 4.09Å; M699-F708 HydrophobicContact CG-CE2 4.33Å; M699-F708 HydrophobicContact CG-CG 4.42Å; M699-F708 HydrophobicContact CG-CZ 4.14Å; M699-F708 HydrophobicContact SD-CZ 4.37Å
700	F	81	Confident	79.4	Confident	12 Å²	12	57.8 Å²	57.8	5%	0.053	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.9	-18.2	-164.5	63.4	-97.5	0	0	0	115.4	Y616 M619 L634 V635 C638 T697	Y616-F700 HydrophobicContact CD2-CB 4.01Å; Y616-F700 HydrophobicContact CE2-CB 3.91Å; M619-F700 HydrophobicContact CE-CD2 4.04Å; M619-F700 HydrophobicContact SD-CD2 3.46Å; M619-F700 WeakPolarHBondContact SD-CD2 3.28Å; M619-F700 HydrophobicContact SD-CE2 3.53Å; M619-F700 VanDerWaalsContact SD-CE2 3.53Å; L634-F700 HydrophobicContact CB-CD1 4.37Å; L634-F700 HydrophobicContact CB-CE1 3.82Å; L634-F700 HydrophobicContact CB-CE2 4.07Å; L634-F700 HydrophobicContact CB-CZ 3.65Å; L634-F700 HydrophobicContact CD1-CD2 4.13Å; L634-F700 HydrophobicContact CD1-CE2 4.07Å; L634-F700 HydrophobicContact CD1-CZ 4.49Å; V635-F700 HydrophobicContact CG2-CE1 4.37Å; V635-F700 HydrophobicContact CG2-CZ 3.87Å; C638-F700 HydrophobicContact CB-CD1 4.18Å; C638-F700 HydrophobicContact CB-CE1 4.15Å; T697-F700 HydrophobicContact CG2-CZ 4.12Å; T697-F700 PolarHBondContact O-N 2.96Å; T697-F700 VanDerWaalsContact O-N 3.11Å
701	Q	79	Confident	79.5	Confident	51 Å²	51	55.1 Å²	55.1	24%	0.238	29%	0.29	C	S	.	.	S	Bend	trans	-80	148.4	172.3	-64	-171.9	-24.1	0	0	110.6	T697 E704 S705	T697-Q701 VanDerWaalsContact CB-OE1 3.31Å; T697-Q701 WeakPolarHBondContact O-CB 3.28Å; T697-Q701 PolarHBondContact O-N 3.14Å; Q701-E704 PolarHBondContact O-N 2.88Å; Q701-S705 WeakPolarHBondContact O-CB 3.24Å; Q701-S705 PolarHBondContact O-N 3.21Å
702	Q	74	Confident	79.4	Confident	117 Å²	117	56.6 Å²	56.6	55%	0.547	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	129.7	-178.8	-75.9	-75.3	-12	0	0	108.2	N706	Q702-N706 PolarHBondContact OE1-ND2 3.27Å
703	P	71.2	Confident	79.2	Confident	86 Å²	86	60.5 Å²	60.5	56%	0.558	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	cis	-87.3	-1.9	17.1	35.1	-39.2	0	0	0	117.2	S705 N706	P703-S705 VanDerWaalsContact C-N 3.31Å; P703-S705 PolarHBondContact O-N 3.49Å; P703-N706 WeakPolarHBondContact O-CB 3.25Å; P703-N706 PolarHBondContact O-N 3.31Å; P703-N706 PolarHBondContact O-ND2 3.26Å
704	E	74.8	Confident	78.9	Confident	64 Å²	64	57.2 Å²	57.2	30%	0.299	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-33	-167.4	-63.8	67	-145.4	0	0	113.5	H698 Q701 N706 A707 F708	H698-E704 HydrophobicContact CB-CB 4.09Å; H698-E704 CarbonylContact O-C 3.49Å; Q701-E704 PolarHBondContact O-N 2.88Å; E704-N706 PolarHBondContact O-N 3.38Å; E704-A707 WeakPolarHBondContact O-CA 3.17Å; E704-A707 VanDerWaalsContact O-CB 3.27Å; E704-A707 WeakPolarHBondContact O-CB 3.49Å; E704-A707 PolarHBondContact O-N 3.28Å; E704-F708 PolarHBondContact O-N 2.93Å
705	S	73.2	Confident	78.6	Confident	25 Å²	25	55.7 Å²	55.7	18%	0.175	29%	0.292	C	S	.	.	H	α-helix	trans	-55.4	-33.3	172.9	-171.9	0	0	0	0	112.6	H698 M699 Q701 P703 A707 F708 A709	H698-S705 WeakPolarHBondContact O-CA 3.16Å; H698-S705 PolarHBondContact O-N 3.09Å; M699-S705 WeakPolarHBondContact O-CB 3.04Å; M699-S705 PolarHBondContact O-OG 3.2Å; Q701-S705 WeakPolarHBondContact O-CB 3.24Å; Q701-S705 PolarHBondContact O-N 3.21Å; P703-S705 VanDerWaalsContact C-N 3.31Å; P703-S705 PolarHBondContact O-N 3.49Å; S705-A707 VanDerWaalsContact C-N 3.29Å; S705-A707 PolarHBondContact O-N 2.96Å; S705-F708 PolarHBondContact O-N 3.46Å; S705-A709 VanDerWaalsContact O-CB 3.23Å; S705-A709 WeakPolarHBondContact O-CB 3.43Å; S705-A709 PolarHBondContact O-N 2.94Å
706	N	80.1	Confident	78.2	Confident	78 Å²	78	55.1 Å²	55.1	42%	0.417	29%	0.288	S	S	.	.	H	α-helix	trans	-72.1	-22.1	173.5	-52.9	-56	0	0	0	112.9	Q702 P703 E704 R710	Q702-N706 PolarHBondContact OE1-ND2 3.27Å; P703-N706 WeakPolarHBondContact O-CB 3.25Å; P703-N706 PolarHBondContact O-N 3.31Å; P703-N706 PolarHBondContact O-ND2 3.26Å; E704-N706 PolarHBondContact O-N 3.38Å; N706-R710 WeakPolarHBondContact O-CB 3.47Å; N706-R710 PolarHBondContact O-N 3.19Å; N706-R710 PolarHBondContact O-NH1 2.9Å
707	A	81.9	Confident	78.1	Confident	35 Å²	35	58.1 Å²	58.1	29%	0.289	31%	0.305	S	S	.	.	H	α-helix	trans	-79.7	-44.8	173.1	0	0	0	0	0	111.1	E704 S705 R710 C711	E704-A707 WeakPolarHBondContact O-CA 3.17Å; E704-A707 VanDerWaalsContact O-CB 3.27Å; E704-A707 WeakPolarHBondContact O-CB 3.49Å; E704-A707 PolarHBondContact O-N 3.28Å; S705-A707 VanDerWaalsContact C-N 3.29Å; S705-A707 PolarHBondContact O-N 2.96Å; A707-R710 PolarHBondContact O-N 3.36Å; A707-C711 WeakPolarHBondContact O-CB 3.29Å; A707-C711 PolarHBondContact O-N 2.91Å
708	F	80.7	Confident	77.8	Confident	19 Å²	19	60.7 Å²	60.7	8%	0.083	31%	0.312	C	S	.	.	H	α-helix	trans	-60.6	-51.5	174.1	-177.1	-98.8	0	0	0	111.6	K642 I645 L691 M694 H698 M699 E704 S705 R710 C711 V712	K642-F708 HydrophobicContact CG-CE2 4.04Å; K642-F708 HydrophobicContact CG-CZ 4.43Å; I645-F708 HydrophobicContact CD1-CZ 4.46Å; I645-F708 HydrophobicContact CG2-CZ 4.49Å; L691-F708 HydrophobicContact CD2-CD2 3.92Å; L691-F708 HydrophobicContact CD2-CE2 3.72Å; M694-F708 HydrophobicContact SD-CB 4.44Å; M694-F708 HydrophobicContact SD-CD2 4.22Å; H698-F708 HydrophobicContact CB-CB 4.34Å; H698-F708 WeakPolarHBondContact O-CB 3.23Å; M699-F708 HydrophobicContact CE-CE1 3.94Å; M699-F708 HydrophobicContact CE-CZ 4.11Å; M699-F708 HydrophobicContact CG-CD1 4.23Å; M699-F708 HydrophobicContact CG-CD2 4.46Å; M699-F708 HydrophobicContact CG-CE1 4.09Å; M699-F708 HydrophobicContact CG-CE2 4.33Å; M699-F708 HydrophobicContact CG-CG 4.42Å; M699-F708 HydrophobicContact CG-CZ 4.14Å; M699-F708 HydrophobicContact SD-CZ 4.37Å; E704-F708 PolarHBondContact O-N 2.93Å; S705-F708 PolarHBondContact O-N 3.46Å; F708-R710 VanDerWaalsContact C-N 3.27Å; F708-R710 PolarHBondContact O-N 2.97Å; F708-C711 PolarHBondContact O-N 2.84Å; F708-C711 VanDerWaalsContact O-N 3.1Å; F708-V712 HydrophobicContact CD1-CG2 4.21Å; F708-V712 HydrophobicContact CE1-CG2 3.83Å; F708-V712 HydrophobicContact CE2-CG2 4.42Å; F708-V712 HydrophobicContact CZ-CG2 3.95Å; F708-V712 WeakPolarHBondContact O-CG2 3.33Å; F708-V712 PolarHBondContact O-N 3.02Å
709	A	78.3	Confident	77.5	Confident	56 Å²	56	58.4 Å²	58.4	46%	0.463	30%	0.301	S	S	.	.	H	α-helix	trans	-60.6	-34.7	177.7	0	0	0	0	0	112.9	S705 K713	S705-A709 VanDerWaalsContact O-CB 3.23Å; S705-A709 WeakPolarHBondContact O-CB 3.43Å; S705-A709 PolarHBondContact O-N 2.94Å; A709-K713 VanDerWaalsContact O-CB 3.29Å; A709-K713 WeakPolarHBondContact O-CB 3.35Å; A709-K713 PolarHBondContact O-N 3.3Å
710	R	81.5	Confident	77.3	Confident	159 Å²	159	57.7 Å²	57.7	60%	0.6	30%	0.3	S	S	*	.	H	α-helix	trans	-67.8	-42.7	173.7	-174.7	-174	-54.4	109.2	5.4	112	N706 A707 F708 K713 E714	N706-R710 WeakPolarHBondContact O-CB 3.47Å; N706-R710 PolarHBondContact O-N 3.19Å; N706-R710 PolarHBondContact O-NH1 2.9Å; A707-R710 PolarHBondContact O-N 3.36Å; F708-R710 VanDerWaalsContact C-N 3.27Å; F708-R710 PolarHBondContact O-N 2.97Å; R710-K713 PolarHBondContact O-N 3.47Å; R710-E714 WeakPolarHBondContact O-CB 3.46Å; R710-E714 PolarHBondContact O-N 2.86Å
711	C	81	Confident	77.3	Confident	11 Å²	11	59.6 Å²	59.6	7%	0.074	32%	0.318	C	S	.	.	H	α-helix	trans	-65.9	-44.1	178.3	-157.4	0	0	0	0	111.2	Q687 L691 M694 A707 F708 K713 E714 A715	Q687-C711 PolarHBondContact OE1-O 3.18Å; Q687-C711 PolarHBondContact OE1-SG 3.3Å; Q687-C711 VanDerWaalsContact OE1-SG 3.41Å; L691-C711 HydrophobicContact CD2-CB 3.94Å; L691-C711 HydrophobicContact CG-CB 4.48Å; M694-C711 HydrophobicContact CE-CB 3.85Å; A707-C711 WeakPolarHBondContact O-CB 3.29Å; A707-C711 PolarHBondContact O-N 2.91Å; F708-C711 PolarHBondContact O-N 2.84Å; F708-C711 VanDerWaalsContact O-N 3.1Å; C711-K713 PolarHBondContact O-N 2.97Å; C711-E714 PolarHBondContact O-N 3.08Å; C711-A715 WeakPolarHBondContact O-CB 3.49Å; C711-A715 PolarHBondContact O-N 2.88Å
712	V	77.9	Confident	77.2	Confident	32 Å²	32	58.3 Å²	58.3	19%	0.194	31%	0.313	C	S	.	.	H	α-helix	trans	-57.1	-49	172	169.3	0	0	0	0	110.7	M649 L691 F708 E714 A715 C716	M649-V712 HydrophobicContact CE-CB 4.46Å; M649-V712 HydrophobicContact CE-CG1 4.05Å; M649-V712 HydrophobicContact SD-CG1 3.97Å; M649-V712 HydrophobicContact SD-CG2 4.28Å; L691-V712 HydrophobicContact CD2-CG2 4.09Å; F708-V712 HydrophobicContact CD1-CG2 4.21Å; F708-V712 HydrophobicContact CE1-CG2 3.83Å; F708-V712 HydrophobicContact CE2-CG2 4.42Å; F708-V712 HydrophobicContact CZ-CG2 3.95Å; F708-V712 WeakPolarHBondContact O-CG2 3.33Å; F708-V712 PolarHBondContact O-N 3.02Å; V712-E714 PolarHBondContact O-N 2.76Å; V712-A715 PolarHBondContact O-N 3.2Å; V712-C716 PolarHBondContact O-N 3.06Å; V712-C716 PolarHBondContact O-SG 3.18Å
713	K	77	Confident	77.4	Confident	155 Å²	155	52.8 Å²	52.8	67%	0.674	29%	0.287	S	S	*	.	H	α-helix	trans	-62.9	-38.4	178.2	-173.7	170.7	-178.2	172	0	112.8	A709 R710 C711 C716 V717	A709-K713 VanDerWaalsContact O-CB 3.29Å; A709-K713 WeakPolarHBondContact O-CB 3.35Å; A709-K713 PolarHBondContact O-N 3.3Å; R710-K713 PolarHBondContact O-N 3.47Å; C711-K713 PolarHBondContact O-N 2.97Å; K713-C716 PolarHBondContact O-N 3.09Å; K713-V717 WeakPolarHBondContact O-CG2 3.33Å; K713-V717 PolarHBondContact O-N 3.07Å
714	E	78.1	Confident	77.8	Confident	84 Å²	84	50 Å²	50	39%	0.393	27%	0.268	S	S	.	.	H	α-helix	trans	-66.6	-44.5	176.5	-161.9	-165.5	168.1	0	0	111.5	Q687 R710 C711 V712 C716 V717 R718	Q687-E714 PolarHBondContact NE2-OE2 3.36Å; R710-E714 WeakPolarHBondContact O-CB 3.46Å; R710-E714 PolarHBondContact O-N 2.86Å; C711-E714 PolarHBondContact O-N 3.08Å; V712-E714 PolarHBondContact O-N 2.76Å; E714-C716 PolarHBondContact O-N 2.69Å; E714-V717 PolarHBondContact O-N 2.82Å; E714-R718 VanDerWaalsContact O-CG 3.28Å; E714-R718 WeakPolarHBondContact O-CG 3.45Å; E714-R718 PolarHBondContact O-N 3.02Å; E714-R718 IonicContact OE1-CZ 2.75Å; E714-R718 IonicContact OE1-NE 2.89Å; E714-R718 PolarHBondContact OE1-NE 3.26Å; E714-R718 IonicContact OE1-NH2 3.5Å; E714-R718 PolarHBondContact OE1-NH2 2.9Å
715	A	75.9	Confident	78	Confident	2 Å²	2	53 Å²	53	2%	0.017	28%	0.282	C	S	.	.	H	α-helix	trans	-57.7	-47.2	172.8	0	0	0	0	0	111.2	M649 F650 Q687 C711 V712 V717 R718 V719	M649-A715 HydrophobicContact CE-CB 3.6Å; F650-A715 HydrophobicContact CZ-CB 4.37Å; Q687-A715 HydrophobicContact CB-CB 4.4Å; C711-A715 WeakPolarHBondContact O-CB 3.49Å; C711-A715 PolarHBondContact O-N 2.88Å; V712-A715 PolarHBondContact O-N 3.2Å; A715-V717 PolarHBondContact O-N 2.92Å; A715-R718 PolarHBondContact O-N 2.72Å; A715-R718 VanDerWaalsContact O-N 3.16Å; A715-V719 WeakPolarHBondContact O-CG2 3.42Å; A715-V719 PolarHBondContact O-N 3.17Å
716	C	73.5	Confident	78.2	Confident	32 Å²	32	53 Å²	53	22%	0.216	28%	0.279	C	S	.	.	H	α-helix	trans	-56	-45.4	175.6	-65.6	0	0	0	0	113.2	V664 V712 K713 E714 V719 S720	V664-C716 WeakPolarHBondContact CG2-SG 3.47Å; V712-C716 PolarHBondContact O-N 3.06Å; V712-C716 PolarHBondContact O-SG 3.18Å; K713-C716 PolarHBondContact O-N 3.09Å; E714-C716 PolarHBondContact O-N 2.69Å; C716-V719 PolarHBondContact O-N 3.37Å; C716-S720 WeakPolarHBondContact O-CB 3.4Å; C716-S720 PolarHBondContact O-N 2.76Å; C716-S720 PolarHBondContact O-OG 3.28Å
717	V	77.2	Confident	78.1	Confident	93 Å²	93	49.3 Å²	49.3	56%	0.564	26%	0.259	S	S	*	.	H	α-helix	trans	-65.6	-39.2	178.1	170.5	0	0	0	0	111.1	K713 E714 A715 S720 A721	K713-V717 WeakPolarHBondContact O-CG2 3.33Å; K713-V717 PolarHBondContact O-N 3.07Å; E714-V717 PolarHBondContact O-N 2.82Å; A715-V717 PolarHBondContact O-N 2.92Å; V717-S720 PolarHBondContact O-N 3.2Å; V717-A721 WeakPolarHBondContact O-CB 3.5Å; V717-A721 PolarHBondContact O-N 3.34Å
718	R	76.2	Confident	77.9	Confident	82 Å²	82	50.4 Å²	50.4	31%	0.309	27%	0.265	S	S	.	.	H	α-helix	trans	-66.1	-44.3	175.4	-70.7	164	171.9	-124.2	3.8	112.3	A683 E714 A715 S720 A721 V722	A683-R718 PolarHBondContact O-NH1 3.41Å; E714-R718 VanDerWaalsContact O-CG 3.28Å; E714-R718 WeakPolarHBondContact O-CG 3.45Å; E714-R718 PolarHBondContact O-N 3.02Å; E714-R718 IonicContact OE1-CZ 2.75Å; E714-R718 IonicContact OE1-NE 2.89Å; E714-R718 PolarHBondContact OE1-NE 3.26Å; E714-R718 IonicContact OE1-NH2 3.5Å; E714-R718 PolarHBondContact OE1-NH2 2.9Å; A715-R718 PolarHBondContact O-N 2.72Å; A715-R718 VanDerWaalsContact O-N 3.16Å; R718-S720 VanDerWaalsContact C-N 3.32Å; R718-S720 PolarHBondContact O-N 2.85Å; R718-A721 PolarHBondContact O-N 2.86Å; R718-V722 WeakPolarHBondContact O-CG2 3.45Å; R718-V722 PolarHBondContact O-N 3.12Å; R718-V722 VanDerWaalsContact O-N 3.07Å
719	V	74	Confident	77.7	Confident	3 Å²	3	53.1 Å²	53.1	2%	0.018	29%	0.287	C	S	.	.	H	α-helix	trans	-56.3	-50.5	173.9	179.7	0	0	0	0	109.6	I668 F684 A715 C716 A721 V722 V723	I668-V719 HydrophobicContact CG1-CG1 3.97Å; F684-V719 HydrophobicContact CD1-CG2 4.2Å; F684-V719 HydrophobicContact CE1-CB 4.04Å; F684-V719 HydrophobicContact CE1-CG1 4.22Å; F684-V719 HydrophobicContact CE1-CG2 3.48Å; F684-V719 VanDerWaalsContact CE1-CG2 3.48Å; F684-V719 HydrophobicContact CZ-CB 4.42Å; F684-V719 HydrophobicContact CZ-CG2 4.3Å; A715-V719 WeakPolarHBondContact O-CG2 3.42Å; A715-V719 PolarHBondContact O-N 3.17Å; C716-V719 PolarHBondContact O-N 3.37Å; V719-A721 PolarHBondContact O-N 3.08Å; V719-V722 PolarHBondContact O-N 2.82Å; V719-V723 HydrophobicContact CG1-CG2 4.42Å; V719-V723 VanDerWaalsContact O-CG2 3.31Å; V719-V723 WeakPolarHBondContact O-CG2 3.31Å; V719-V723 PolarHBondContact O-N 3.45Å
720	S	77.4	Confident	77.5	Confident	16 Å²	16	54.4 Å²	54.4	11%	0.112	29%	0.289	C	S	.	.	H	α-helix	trans	-62.5	-43.7	-178.5	-59.8	0	0	0	0	112.4	C716 V717 R718 V722 V723 L724 S920	C716-S720 WeakPolarHBondContact O-CB 3.4Å; C716-S720 PolarHBondContact O-N 2.76Å; C716-S720 PolarHBondContact O-OG 3.28Å; V717-S720 PolarHBondContact O-N 3.2Å; R718-S720 VanDerWaalsContact C-N 3.32Å; R718-S720 PolarHBondContact O-N 2.85Å; S720-V722 PolarHBondContact O-N 3.28Å; S720-V723 PolarHBondContact O-N 3.06Å; S720-L724 VanDerWaalsContact O-CG 3.29Å; S720-L724 WeakPolarHBondContact O-CG 3.49Å; S720-L724 PolarHBondContact O-N 2.9Å; S720-S920 VanDerWaalsContact CB-O 3.3Å; S720-S920 WeakPolarHBondContact CB-O 3.21Å
721	A	79.7	Confident	77.2	Confident	52 Å²	52	49 Å²	49	43%	0.43	27%	0.27	S	S	.	.	H	α-helix	trans	-59.6	-43.9	175.6	0	0	0	0	0	112.1	V717 R718 V719 L724 E725	V717-A721 WeakPolarHBondContact O-CB 3.5Å; V717-A721 PolarHBondContact O-N 3.34Å; R718-A721 PolarHBondContact O-N 2.86Å; V719-A721 PolarHBondContact O-N 3.08Å; A721-L724 PolarHBondContact O-N 3.41Å; A721-E725 WeakPolarHBondContact O-CB 3.3Å; A721-E725 PolarHBondContact O-N 3.28Å
722	V	77.3	Confident	77.1	Confident	24 Å²	24	50.5 Å²	50.5	15%	0.145	28%	0.277	C	S	.	.	H	α-helix	trans	-67.9	-38.7	177.5	170.8	0	0	0	0	111.7	I681 F684 R718 V719 S720 L724 E725 I726	I681-V722 HydrophobicContact CD1-CG1 4.17Å; F684-V722 HydrophobicContact CE2-CB 4.17Å; F684-V722 HydrophobicContact CE2-CG1 4.08Å; F684-V722 HydrophobicContact CE2-CG2 3.98Å; F684-V722 HydrophobicContact CZ-CB 4.17Å; F684-V722 HydrophobicContact CZ-CG1 4.25Å; F684-V722 HydrophobicContact CZ-CG2 4.37Å; R718-V722 WeakPolarHBondContact O-CG2 3.45Å; R718-V722 PolarHBondContact O-N 3.12Å; R718-V722 VanDerWaalsContact O-N 3.07Å; V719-V722 PolarHBondContact O-N 2.82Å; S720-V722 PolarHBondContact O-N 3.28Å; V722-L724 PolarHBondContact O-N 3.06Å; V722-E725 PolarHBondContact O-N 3.42Å; V722-I726 HydrophobicContact CG1-CD1 3.74Å; V722-I726 HydrophobicContact CG1-CG1 4.34Å; V722-I726 WeakPolarHBondContact O-CB 3.32Å; V722-I726 VanDerWaalsContact O-CG1 3.25Å; V722-I726 WeakPolarHBondContact O-CG1 3.16Å; V722-I726 PolarHBondContact O-N 2.86Å
723	V	77.9	Confident	77.5	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.9	-46.4	172.8	167.3	0	0	0	0	111.3	Y670 V671 V719 S720 M727 F922	Y670-V723 HydrophobicContact CD1-CG1 4.05Å; Y670-V723 HydrophobicContact CD1-CG2 4.43Å; Y670-V723 HydrophobicContact CE1-CG1 3.91Å; V671-V723 HydrophobicContact CG2-CG2 3.49Å; V671-V723 VanDerWaalsContact CG2-CG2 3.49Å; V719-V723 HydrophobicContact CG1-CG2 4.42Å; V719-V723 VanDerWaalsContact O-CG2 3.31Å; V719-V723 WeakPolarHBondContact O-CG2 3.31Å; V719-V723 PolarHBondContact O-N 3.45Å; S720-V723 PolarHBondContact O-N 3.06Å; V723-M727 VanDerWaalsContact O-CB 3.3Å; V723-M727 WeakPolarHBondContact O-CB 3.42Å; V723-M727 PolarHBondContact O-N 3.1Å; V723-F922 HydrophobicContact CG1-CB 4.12Å; V723-F922 HydrophobicContact CG1-CD2 3.61Å; V723-F922 HydrophobicContact CG1-CE2 4.49Å; V723-F922 HydrophobicContact CG1-CG 4.3Å
724	L	79.9	Confident	77.9	Confident	29 Å²	29	42.3 Å²	42.3	15%	0.152	24%	0.243	C	C	.	.	H	α-helix	trans	-68.7	-38.3	178.6	-67	174.4	0	0	0	112	S720 A721 V722 M727 S728 A919 V925	S720-L724 VanDerWaalsContact O-CG 3.29Å; S720-L724 WeakPolarHBondContact O-CG 3.49Å; S720-L724 PolarHBondContact O-N 2.9Å; A721-L724 PolarHBondContact O-N 3.41Å; V722-L724 PolarHBondContact O-N 3.06Å; L724-M727 HydrophobicContact CD2-CE 3.6Å; L724-S728 VanDerWaalsContact O-CB 3.29Å; L724-S728 WeakPolarHBondContact O-CB 3.36Å; L724-S728 PolarHBondContact O-N 3.28Å; L724-S728 PolarHBondContact O-OG 3.2Å; L724-A919 VanDerWaalsContact CD1-O 3.3Å; L724-A919 WeakPolarHBondContact CD1-O 3.31Å; L724-V925 HydrophobicContact CD2-CG2 3.79Å
725	E	79.6	Confident	78.3	Confident	127 Å²	127	39.7 Å²	39.7	59%	0.593	23%	0.231	S	C	*	.	H	α-helix	trans	-63.8	-47	174.5	-176.4	170.1	-159.2	0	0	111.4	A721 V722 S728 S729	A721-E725 WeakPolarHBondContact O-CB 3.3Å; A721-E725 PolarHBondContact O-N 3.28Å; V722-E725 PolarHBondContact O-N 3.42Å; E725-S728 PolarHBondContact O-N 2.94Å; E725-S728 PolarHBondContact O-OG 3Å; E725-S729 VanDerWaalsContact O-CB 3.23Å; E725-S729 WeakPolarHBondContact O-CB 3.38Å; E725-S729 PolarHBondContact O-N 3.28Å; E725-S729 PolarHBondContact O-OG 3.31Å
726	I	78	Confident	79	Confident	23 Å²	23	39.7 Å²	39.7	12%	0.118	23%	0.23	C	C	.	.	H	α-helix	trans	-59.8	-51	175.4	-70	168.2	0	0	0	110.3	V671 V722 S728 S729 T730 F731	V671-I726 HydrophobicContact CG1-CD1 3.88Å; V722-I726 HydrophobicContact CG1-CD1 3.74Å; V722-I726 HydrophobicContact CG1-CG1 4.34Å; V722-I726 WeakPolarHBondContact O-CB 3.32Å; V722-I726 VanDerWaalsContact O-CG1 3.25Å; V722-I726 WeakPolarHBondContact O-CG1 3.16Å; V722-I726 PolarHBondContact O-N 2.86Å; I726-S728 VanDerWaalsContact C-N 3.28Å; I726-S728 PolarHBondContact O-N 3.41Å; I726-S729 PolarHBondContact O-N 3.31Å; I726-T730 PolarHBondContact O-N 3.39Å; I726-T730 PolarHBondContact O-OG1 2.9Å; I726-F731 HydrophobicContact CG2-CD2 4.03Å; I726-F731 HydrophobicContact CG2-CE2 3.71Å; I726-F731 PolarHBondContact O-N 3.48Å
727	M	77.5	Confident	79.7	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-62.5	-31.8	-178.8	-177.9	-176.2	56.8	0	0	113.4	V723 L724 D732 F733 V829 F916 V925	V723-M727 VanDerWaalsContact O-CB 3.3Å; V723-M727 WeakPolarHBondContact O-CB 3.42Å; V723-M727 PolarHBondContact O-N 3.1Å; L724-M727 HydrophobicContact CD2-CE 3.6Å; M727-D732 PolarHBondContact O-N 3.11Å; M727-F733 HydrophobicContact CG-CB 3.67Å; M727-F733 HydrophobicContact CG-CG 4.28Å; M727-F733 PolarHBondContact O-N 3.21Å; M727-F733 HydrophobicContact SD-CB 4.21Å; M727-F733 HydrophobicContact SD-CD1 4.09Å; M727-F733 HydrophobicContact SD-CG 4.2Å; M727-V829 HydrophobicContact SD-CG1 4.13Å; M727-V829 HydrophobicContact SD-CG2 3.82Å; M727-F916 HydrophobicContact CE-CE2 3.84Å; M727-F916 HydrophobicContact CE-CZ 4.49Å; M727-V925 HydrophobicContact CE-CB 4.42Å; M727-V925 HydrophobicContact CE-CG1 4.08Å; M727-V925 HydrophobicContact CE-CG2 4.11Å; M727-V925 HydrophobicContact SD-CG1 4.37Å
728	S	77.6	Confident	80.2	Confident	58 Å²	58	36.1 Å²	36.1	41%	0.406	21%	0.206	S	C	.	.	H	α-helix	trans	-88	-29.7	178.8	58.6	0	0	0	0	114	L724 E725 I726 D732	L724-S728 VanDerWaalsContact O-CB 3.29Å; L724-S728 WeakPolarHBondContact O-CB 3.36Å; L724-S728 PolarHBondContact O-N 3.28Å; L724-S728 PolarHBondContact O-OG 3.2Å; E725-S728 PolarHBondContact O-N 2.94Å; E725-S728 PolarHBondContact O-OG 3Å; I726-S728 VanDerWaalsContact C-N 3.28Å; I726-S728 PolarHBondContact O-N 3.41Å; S728-D732 WeakPolarHBondContact O-CA 3.16Å
729	S	76.6	Confident	80.9	Confident	77 Å²	77	32.3 Å²	32.3	54%	0.538	19%	0.192	S	C	.	.	H	α-helix	trans	-97.5	-45.9	-176.4	66	0	0	0	0	114.4	E725 I726	E725-S729 VanDerWaalsContact O-CB 3.23Å; E725-S729 WeakPolarHBondContact O-CB 3.38Å; E725-S729 PolarHBondContact O-N 3.28Å; E725-S729 PolarHBondContact O-OG 3.31Å; I726-S729 PolarHBondContact O-N 3.31Å
730	T	73.3	Confident	81.7	Confident	83 Å²	83	32.2 Å²	32.2	51%	0.509	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-39.9	-174.6	71.8	0	0	0	0	111.8	I726	I726-T730 PolarHBondContact O-N 3.39Å; I726-T730 PolarHBondContact O-OG1 2.9Å
731	F	74.6	Confident	82.3	Confident	45 Å²	45	32.6 Å²	32.6	20%	0.197	19%	0.191	C	C	.	.	S	Bend	trans	-97.8	-21.5	178.5	-59.1	-60.3	0	0	0	113.8	I674 I726 P825 I826	I674-F731 HydrophobicContact CG2-CE2 3.37Å; I674-F731 HydrophobicContact CG2-CZ 3.39Å; I726-F731 HydrophobicContact CG2-CD2 4.03Å; I726-F731 HydrophobicContact CG2-CE2 3.71Å; I726-F731 PolarHBondContact O-N 3.48Å; F731-P825 HydrophobicContact CD1-CB 3.96Å; F731-P825 HydrophobicContact CD1-CG 4.05Å; F731-P825 HydrophobicContact CD2-CB 3.82Å; F731-P825 HydrophobicContact CD2-CG 4.44Å; F731-P825 HydrophobicContact CE1-CB 3.93Å; F731-P825 HydrophobicContact CE1-CG 3.57Å; F731-P825 HydrophobicContact CE2-CB 3.78Å; F731-P825 HydrophobicContact CE2-CG 3.99Å; F731-P825 HydrophobicContact CG-CB 3.93Å; F731-P825 HydrophobicContact CG-CG 4.48Å; F731-P825 HydrophobicContact CZ-CB 3.85Å; F731-P825 HydrophobicContact CZ-CG 3.54Å; F731-I826 HydrophobicContact CB-CD1 3.94Å; F731-I826 HydrophobicContact CB-CG1 3.99Å
732	D	80.8	Confident	82.8	Confident	42 Å²	42	32.3 Å²	32.3	23%	0.225	18%	0.18	C	C	.	.			trans	52.1	57.1	176.7	-166.3	-5.3	0	0	0	112.3	M727 S728 G734 F735 F736 R794	M727-D732 PolarHBondContact O-N 3.11Å; S728-D732 WeakPolarHBondContact O-CA 3.16Å; D732-G734 PolarHBondContact O-N 3.38Å; D732-F735 HydrophobicContact CB-CB 4.16Å; D732-F735 WeakPolarHBondContact O-CA 3.48Å; D732-F735 WeakPolarHBondContact O-CB 3.49Å; D732-F735 PolarHBondContact O-N 3.09Å; D732-F735 WeakPolarHBondContact OD1-CB 3.49Å; D732-F735 PolarHBondContact OD1-N 2.88Å; D732-F735 WeakPolarHBondContact OD2-CB 3.4Å; D732-F736 PolarHBondContact O-N 2.91Å; D732-R794 IonicContact OD2-CZ 3.14Å; D732-R794 IonicContact OD2-NH1 2.63Å; D732-R794 PolarHBondContact OD2-NH1 2.87Å; D732-R794 IonicContact OD2-NH2 2.76Å; D732-R794 PolarHBondContact OD2-NH2 3.45Å
733	F	85.1	Confident	83.4	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-58.1	-27.7	176.9	-176.6	-116.6	0	0	0	112.5	M727 F736 M737 I826 V829 L830 F912 F916 V925	M727-F733 HydrophobicContact CG-CB 3.67Å; M727-F733 HydrophobicContact CG-CG 4.28Å; M727-F733 PolarHBondContact O-N 3.21Å; M727-F733 HydrophobicContact SD-CB 4.21Å; M727-F733 HydrophobicContact SD-CD1 4.09Å; M727-F733 HydrophobicContact SD-CG 4.2Å; F733-F736 HydrophobicContact CD2-CB 4.41Å; F733-F736 AromaticContact CD2-CD1 3.94Å; F733-F736 HydrophobicContact CD2-CD1 3.94Å; F733-F736 AromaticContact CE2-CD1 3.87Å; F733-F736 HydrophobicContact CE2-CD1 3.87Å; F733-F736 HydrophobicContact CE2-CE1 4.41Å; F733-F736 PolarHBondContact O-N 3.44Å; F733-M737 HydrophobicContact CD1-CG 4.34Å; F733-M737 HydrophobicContact CD2-CG 4.33Å; F733-M737 HydrophobicContact CE1-CG 3.93Å; F733-M737 HydrophobicContact CE2-CG 3.9Å; F733-M737 HydrophobicContact CE2-SD 4.17Å; F733-M737 HydrophobicContact CZ-CG 3.69Å; F733-M737 HydrophobicContact CZ-SD 3.98Å; F733-M737 PolarHBondContact O-N 3.08Å; F733-I826 HydrophobicContact CD2-CB 4.41Å; F733-I826 HydrophobicContact CD2-CD1 4.49Å; F733-I826 HydrophobicContact CD2-CG1 4.15Å; F733-I826 HydrophobicContact CD2-CG2 3.48Å; F733-I826 VanDerWaalsContact CD2-CG2 3.48Å; F733-I826 HydrophobicContact CE2-CG2 3.65Å; F733-V829 HydrophobicContact CE1-CG1 4.12Å; F733-V829 HydrophobicContact CE2-CB 4.46Å; F733-V829 HydrophobicContact CE2-CG1 4.29Å; F733-V829 HydrophobicContact CZ-CB 4.49Å; F733-V829 HydrophobicContact CZ-CG1 3.86Å; F733-L830 HydrophobicContact CE2-CD2 4.14Å; F733-L830 HydrophobicContact CZ-CD2 4.4Å; F733-F912 HydrophobicContact CE1-CZ 4.01Å; F733-F912 HydrophobicContact CZ-CZ 4.49Å; F733-F916 HydrophobicContact CD1-CD2 4.2Å; F733-F916 AromaticContact CD1-CE2 3.59Å; F733-F916 HydrophobicContact CD1-CE2 3.59Å; F733-F916 HydrophobicContact CD1-CZ 4.08Å; F733-F916 HydrophobicContact CE1-CD2 4.38Å; F733-F916 HydrophobicContact CE1-CE2 4.19Å; F733-V925 HydrophobicContact CD1-CG1 4.19Å; F733-V925 HydrophobicContact CE1-CG1 3.66Å
734	G	85.4	Confident	84.1	Confident	16 Å²	16	31.3 Å²	31.3	17%	0.165	17%	0.174	C	C	.	.	H	α-helix	trans	-62.3	-42.5	171.5	0	0	0	0	0	112.9	D732 N738	D732-G734 PolarHBondContact O-N 3.38Å; G734-N738 WeakPolarHBondContact O-CB 3.38Å; G734-N738 PolarHBondContact O-N 3.26Å; G734-N738 PolarHBondContact O-ND2 3.37Å
735	F	87.5	Confident	84.7	Confident	29 Å²	29	30 Å²	30	13%	0.127	17%	0.166	C	C	.	.	H	α-helix	trans	-67.8	-42.2	170	-176.9	-109.4	0	0	0	111.8	D732 M737 N738 V739 I791 R794 M795 W798	D732-F735 HydrophobicContact CB-CB 4.16Å; D732-F735 WeakPolarHBondContact O-CA 3.48Å; D732-F735 WeakPolarHBondContact O-CB 3.49Å; D732-F735 PolarHBondContact O-N 3.09Å; D732-F735 WeakPolarHBondContact OD1-CB 3.49Å; D732-F735 PolarHBondContact OD1-N 2.88Å; D732-F735 WeakPolarHBondContact OD2-CB 3.4Å; F735-M737 PolarHBondContact O-N 3.06Å; F735-N738 CarbonylContact O-C 3.54Å; F735-N738 WeakPolarHBondContact O-CA 3.26Å; F735-N738 VanDerWaalsContact O-CB 3.25Å; F735-N738 WeakPolarHBondContact O-CB 3.43Å; F735-N738 PolarHBondContact O-N 3.03Å; F735-V739 HydrophobicContact CD1-CG2 4.28Å; F735-V739 HydrophobicContact CE1-CG2 3.97Å; F735-V739 HydrophobicContact CZ-CG2 4.15Å; F735-V739 WeakPolarHBondContact O-CG2 3.38Å; F735-V739 PolarHBondContact O-N 2.64Å; F735-I791 HydrophobicContact CE2-CG2 4.01Å; F735-I791 HydrophobicContact CZ-CG2 3.99Å; F735-R794 HydrophobicContact CE1-CB 4.26Å; F735-R794 HydrophobicContact CE1-CG 3.84Å; F735-M795 HydrophobicContact CE1-CG 4.28Å; F735-M795 HydrophobicContact CE2-CE 3.84Å; F735-M795 HydrophobicContact CZ-CE 3.9Å; F735-M795 HydrophobicContact CZ-CG 3.71Å; F735-W798 HydrophobicContact CD1-CE3 4.32Å; F735-W798 AromaticContact CD1-CH2 3.67Å; F735-W798 HydrophobicContact CD1-CH2 3.67Å; F735-W798 AromaticContact CD1-CZ3 3.33Å; F735-W798 HydrophobicContact CD1-CZ3 3.33Å; F735-W798 HydrophobicContact CE1-CE3 4.38Å; F735-W798 HydrophobicContact CE1-CH2 4.34Å; F735-W798 AromaticContact CE1-CZ3 3.79Å; F735-W798 HydrophobicContact CE1-CZ3 3.79Å; F735-W798 HydrophobicContact CG-CZ3 4.35Å
736	F	88.9	Confident	85.2	Confident	2 Å²	2	24 Å²	24	1%	0.009	14%	0.138	C	C	.	.	H	α-helix	trans	-55.4	-52.2	175.8	176.4	-98.1	0	0	0	112.4	D732 F733 N738 V739 V740 W798 Y820 V822 I826 L830	D732-F736 PolarHBondContact O-N 2.91Å; F733-F736 HydrophobicContact CD2-CB 4.41Å; F733-F736 AromaticContact CD2-CD1 3.94Å; F733-F736 HydrophobicContact CD2-CD1 3.94Å; F733-F736 AromaticContact CE2-CD1 3.87Å; F733-F736 HydrophobicContact CE2-CD1 3.87Å; F733-F736 HydrophobicContact CE2-CE1 4.41Å; F733-F736 PolarHBondContact O-N 3.44Å; F736-N738 PolarHBondContact O-N 3.42Å; F736-V739 WeakPolarHBondContact O-CA 3.29Å; F736-V739 WeakPolarHBondContact O-CB 3.45Å; F736-V739 PolarHBondContact O-N 2.84Å; F736-V740 HydrophobicContact CD1-CG2 4.15Å; F736-V740 HydrophobicContact CE1-CG2 3.63Å; F736-V740 HydrophobicContact CE2-CG2 4.24Å; F736-V740 HydrophobicContact CZ-CG2 3.68Å; F736-V740 WeakPolarHBondContact O-CG2 2.81Å; F736-V740 PolarHBondContact O-N 3.36Å; F736-W798 VanDerWaalsContact CA-CZ3 3.42Å; F736-W798 HydrophobicContact CB-CE3 4.36Å; F736-W798 HydrophobicContact CB-CH2 3.94Å; F736-W798 HydrophobicContact CB-CZ3 3.7Å; F736-W798 HydrophobicContact CD2-CD2 4.27Å; F736-W798 AromaticContact CD2-CE3 3.89Å; F736-W798 HydrophobicContact CD2-CE3 3.89Å; F736-W798 HydrophobicContact CD2-CZ3 4.1Å; F736-W798 HydrophobicContact CG-CZ3 4.42Å; F736-Y820 HydrophobicContact CE2-CD2 4.43Å; F736-Y820 HydrophobicContact CE2-CG 4.4Å; F736-Y820 HydrophobicContact CZ-CD1 4.49Å; F736-Y820 HydrophobicContact CZ-CD2 4.08Å; F736-Y820 HydrophobicContact CZ-CE2 4.29Å; F736-Y820 HydrophobicContact CZ-CG 4.17Å; F736-V822 HydrophobicContact CE2-CG1 4.48Å; F736-V822 HydrophobicContact CE2-CG2 4.45Å; F736-V822 HydrophobicContact CZ-CG2 4.27Å; F736-I826 HydrophobicContact CB-CD1 4.21Å; F736-I826 HydrophobicContact CD1-CG2 3.97Å; F736-I826 HydrophobicContact CE1-CG2 4.17Å; F736-I826 HydrophobicContact CG-CD1 4.44Å; F736-I826 HydrophobicContact CG-CG2 4.31Å; F736-L830 HydrophobicContact CE1-CD1 3.86Å; F736-L830 HydrophobicContact CE1-CD2 4.18Å; F736-L830 HydrophobicContact CZ-CD1 3.98Å
737	M	89.3	Confident	85.3	Confident	4 Å²	4	24.4 Å²	24.4	2%	0.02	15%	0.149	C	C	.	.	H	α-helix	trans	-64.6	-26.6	177.4	-70.8	-61.3	-64.7	0	0	112.5	F733 F735 K741 F912 F913 F932	F733-M737 HydrophobicContact CD1-CG 4.34Å; F733-M737 HydrophobicContact CD2-CG 4.33Å; F733-M737 HydrophobicContact CE1-CG 3.93Å; F733-M737 HydrophobicContact CE2-CG 3.9Å; F733-M737 HydrophobicContact CE2-SD 4.17Å; F733-M737 HydrophobicContact CZ-CG 3.69Å; F733-M737 HydrophobicContact CZ-SD 3.98Å; F733-M737 PolarHBondContact O-N 3.08Å; F735-M737 PolarHBondContact O-N 3.06Å; M737-K741 WeakPolarHBondContact O-CB 3.31Å; M737-K741 PolarHBondContact O-N 2.98Å; M737-F912 HydrophobicContact CB-CE1 3.86Å; M737-F912 HydrophobicContact CB-CZ 4.47Å; M737-F912 HydrophobicContact CE-CD1 4.18Å; M737-F912 HydrophobicContact CE-CE1 3.74Å; M737-F912 HydrophobicContact CE-CE2 4.24Å; M737-F912 HydrophobicContact CE-CZ 3.78Å; M737-F912 HydrophobicContact CG-CE1 3.72Å; M737-F912 HydrophobicContact CG-CZ 3.82Å; M737-F912 HydrophobicContact SD-CZ 4.37Å; M737-F913 HydrophobicContact CB-CE1 4.12Å; M737-F913 HydrophobicContact CB-CZ 3.93Å; M737-F932 HydrophobicContact CE-CD1 4Å; M737-F932 HydrophobicContact CE-CE1 3.76Å; M737-F932 HydrophobicContact CE-CZ 4.35Å
738	N	88.3	Confident	85.3	Confident	45 Å²	45	29.3 Å²	29.3	24%	0.241	17%	0.167	C	C	.	.	H	α-helix	trans	-69.8	-34.6	168.8	-95.8	-88.6	0	0	0	113.5	G734 F735 F736 K742 F913	G734-N738 WeakPolarHBondContact O-CB 3.38Å; G734-N738 PolarHBondContact O-N 3.26Å; G734-N738 PolarHBondContact O-ND2 3.37Å; F735-N738 CarbonylContact O-C 3.54Å; F735-N738 WeakPolarHBondContact O-CA 3.26Å; F735-N738 VanDerWaalsContact O-CB 3.25Å; F735-N738 WeakPolarHBondContact O-CB 3.43Å; F735-N738 PolarHBondContact O-N 3.03Å; F736-N738 PolarHBondContact O-N 3.42Å; N738-K742 WeakPolarHBondContact O-CB 3.32Å; N738-K742 WeakPolarHBondContact O-CD 3.48Å; N738-K742 WeakPolarHBondContact O-CG 3.35Å; N738-K742 PolarHBondContact O-N 2.96Å; N738-K742 VanDerWaalsContact O-N 3.09Å; N738-K742 WeakPolarHBondContact OD1-CE 3.3Å; N738-K742 PolarHBondContact OD1-NZ 3.47Å; N738-K742 VanDerWaalsContact OD1-NZ 3.14Å; N738-F913 WeakPolarHBondContact ND2-CZ 3.39Å
739	V	89.8	Confident	85.5	Confident	3 Å²	3	27.8 Å²	27.8	2%	0.018	16%	0.161	C	C	.	.	H	α-helix	trans	-67.9	-46.8	172.3	179.9	0	0	0	0	110	F735 F736 K741 K742 V743 M795 W798 L799	F735-V739 HydrophobicContact CD1-CG2 4.28Å; F735-V739 HydrophobicContact CE1-CG2 3.97Å; F735-V739 HydrophobicContact CZ-CG2 4.15Å; F735-V739 WeakPolarHBondContact O-CG2 3.38Å; F735-V739 PolarHBondContact O-N 2.64Å; F736-V739 WeakPolarHBondContact O-CA 3.29Å; F736-V739 WeakPolarHBondContact O-CB 3.45Å; F736-V739 PolarHBondContact O-N 2.84Å; V739-K741 VanDerWaalsContact C-N 3.33Å; V739-K741 PolarHBondContact O-N 2.73Å; V739-K742 PolarHBondContact O-N 3.29Å; V739-V743 HydrophobicContact CG1-CB 4.47Å; V739-V743 HydrophobicContact CG1-CG2 4.28Å; V739-V743 WeakPolarHBondContact O-CB 3.33Å; V739-V743 PolarHBondContact O-N 2.86Å; V739-M795 HydrophobicContact CG2-CB 4.5Å; V739-M795 HydrophobicContact CG2-CE 4.11Å; V739-M795 HydrophobicContact CG2-CG 3.72Å; V739-M795 HydrophobicContact CG2-SD 4.27Å; V739-W798 HydrophobicContact CG2-CE3 4.09Å; V739-W798 HydrophobicContact CG2-CZ3 4.19Å; V739-L799 HydrophobicContact CG1-CD2 4.32Å
740	V	90.9	Very high	86	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.151	C	C	.	.	I	π-helix	trans	-54	-49.8	174.9	175.4	0	0	0	0	110.7	F736 K742 I744 L745 Y838	F736-V740 HydrophobicContact CD1-CG2 4.15Å; F736-V740 HydrophobicContact CE1-CG2 3.63Å; F736-V740 HydrophobicContact CE2-CG2 4.24Å; F736-V740 HydrophobicContact CZ-CG2 3.68Å; F736-V740 WeakPolarHBondContact O-CG2 2.81Å; F736-V740 PolarHBondContact O-N 3.36Å; V740-K742 PolarHBondContact O-N 2.92Å; V740-I744 HydrophobicContact CB-CD1 4.5Å; V740-I744 HydrophobicContact CG2-CD1 4.19Å; V740-I744 PolarHBondContact O-N 3.47Å; V740-I744 VanDerWaalsContact O-N 3.14Å; V740-L745 HydrophobicContact CG1-CD1 4.47Å; V740-L745 HydrophobicContact CG1-CG 4.35Å; V740-L745 PolarHBondContact O-N 3.14Å; V740-Y838 HydrophobicContact CG1-CD1 4.05Å; V740-Y838 HydrophobicContact CG1-CE1 3.44Å; V740-Y838 VanDerWaalsContact CG1-CE1 3.44Å; V740-Y838 HydrophobicContact CG1-CE2 4.43Å
741	K	91.2	Very high	86.9	Confident	24 Å²	24	23.2 Å²	23.2	10%	0.104	13%	0.127	C	C	.	.	I	π-helix	trans	-58.1	-49	176.3	-175.7	-174.9	-171.9	170.2	0	113.3	M737 V739 G747 E906 S909	M737-K741 WeakPolarHBondContact O-CB 3.31Å; M737-K741 PolarHBondContact O-N 2.98Å; V739-K741 VanDerWaalsContact C-N 3.33Å; V739-K741 PolarHBondContact O-N 2.73Å; K741-G747 VanDerWaalsContact O-CA 3.28Å; K741-G747 WeakPolarHBondContact O-CA 3.3Å; K741-G747 PolarHBondContact O-N 2.76Å; K741-E906 WeakPolarHBondContact CE-OE2 3.27Å; K741-E906 IonicContact NZ-OE1 2.86Å; K741-E906 PolarHBondContact NZ-OE1 3.3Å; K741-E906 IonicContact NZ-OE2 3.63Å; K741-E906 PolarHBondContact NZ-OE2 3.36Å; K741-S909 VanDerWaalsContact CD-OG 3.3Å; K741-S909 WeakPolarHBondContact CD-OG 3.47Å; K741-S909 VanDerWaalsContact CE-OG 3.28Å; K741-S909 WeakPolarHBondContact CE-OG 3.16Å; K741-S909 PolarHBondContact NZ-OG 3.17Å
742	K	89.1	Confident	87.7	Confident	47 Å²	47	21.4 Å²	21.4	20%	0.204	12%	0.119	C	C	.	.	I	π-helix	trans	-78.7	-37.7	-169.7	-69.4	166.2	-165.7	163.9	0	113.2	N738 V739 V740 G747 R748 Y787	N738-K742 WeakPolarHBondContact O-CB 3.32Å; N738-K742 WeakPolarHBondContact O-CD 3.48Å; N738-K742 WeakPolarHBondContact O-CG 3.35Å; N738-K742 PolarHBondContact O-N 2.96Å; N738-K742 VanDerWaalsContact O-N 3.09Å; N738-K742 WeakPolarHBondContact OD1-CE 3.3Å; N738-K742 PolarHBondContact OD1-NZ 3.47Å; N738-K742 VanDerWaalsContact OD1-NZ 3.14Å; V739-K742 PolarHBondContact O-N 3.29Å; V740-K742 PolarHBondContact O-N 2.92Å; K742-G747 PolarHBondContact O-N 2.9Å; K742-R748 HydrophobicContact CG-CG 4.5Å; K742-R748 PolarHBondContact O-N 2.97Å; K742-Y787 HydrophobicContact CD-CE1 4.38Å
743	V	90.1	Very high	88.1	Confident	0 Å²	0	22 Å²	22	0%	0	13%	0.125	C	C	.	.	I	π-helix	trans	-104.1	-58	-171.5	-179.8	0	0	0	0	111.3	V739 L746 F751 L783 L799 I818	V739-V743 HydrophobicContact CG1-CB 4.47Å; V739-V743 HydrophobicContact CG1-CG2 4.28Å; V739-V743 WeakPolarHBondContact O-CB 3.33Å; V739-V743 PolarHBondContact O-N 2.86Å; V743-L746 WeakPolarHBondContact O-CD2 3.42Å; V743-L746 PolarHBondContact O-N 3.44Å; V743-F751 HydrophobicContact CG1-CD1 4.37Å; V743-F751 HydrophobicContact CG1-CE1 3.74Å; V743-F751 HydrophobicContact CG1-CZ 4.03Å; V743-L783 HydrophobicContact CG2-CD2 4.32Å; V743-L799 HydrophobicContact CB-CD2 4.46Å; V743-L799 HydrophobicContact CG1-CD1 3.97Å; V743-L799 HydrophobicContact CG1-CD2 3.84Å; V743-L799 HydrophobicContact CG2-CD1 4.46Å; V743-I818 HydrophobicContact CG1-CG2 4.11Å
744	I	91.9	Very high	88.4	Confident	3 Å²	3	22.8 Å²	22.8	2%	0.015	13%	0.131	C	C	.	.	I	π-helix	trans	-76.5	-40	-172.8	-68.4	125.7	0	0	0	112	V740 L746 L799 Y820 Y838 F842	V740-I744 HydrophobicContact CB-CD1 4.5Å; V740-I744 HydrophobicContact CG2-CD1 4.19Å; V740-I744 PolarHBondContact O-N 3.47Å; V740-I744 VanDerWaalsContact O-N 3.14Å; I744-L746 PolarHBondContact O-N 3.49Å; I744-L799 HydrophobicContact CD1-CD2 3.89Å; I744-L799 HydrophobicContact CG1-CD2 4.32Å; I744-Y820 HydrophobicContact CD1-CD1 3.98Å; I744-Y838 HydrophobicContact CG2-CD1 4.44Å; I744-F842 VanDerWaalsContact O-CD2 3.26Å; I744-F842 WeakPolarHBondContact O-CD2 3.29Å
745	L	92.9	Very high	88.8	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	12.5	170	-59.2	-179.4	0	0	0	112.4	V740 G747 Y838 L841 L845 F901 I905 F932 I936	V740-L745 HydrophobicContact CG1-CD1 4.47Å; V740-L745 HydrophobicContact CG1-CG 4.35Å; V740-L745 PolarHBondContact O-N 3.14Å; L745-G747 PolarHBondContact O-N 2.88Å; L745-Y838 HydrophobicContact CD1-CE1 4.49Å; L745-Y838 HydrophobicContact CD2-CD1 4.11Å; L745-Y838 HydrophobicContact CD2-CE1 4.31Å; L745-L841 HydrophobicContact CD2-CB 4.05Å; L745-L841 HydrophobicContact CD2-CD1 4.06Å; L745-L845 HydrophobicContact CB-CD1 4.38Å; L745-L845 HydrophobicContact CD2-CD1 4.16Å; L745-F901 VanDerWaalsContact O-CE1 3.28Å; L745-F901 WeakPolarHBondContact O-CE1 3.25Å; L745-I905 HydrophobicContact CB-CD1 4.39Å; L745-I905 HydrophobicContact CB-CG2 4.25Å; L745-I905 HydrophobicContact CD1-CG2 4.21Å; L745-F932 HydrophobicContact CD1-CE1 4.23Å; L745-F932 HydrophobicContact CD1-CZ 3.81Å; L745-I936 HydrophobicContact CD1-CD1 4.18Å
746	L	90.7	Very high	89	Confident	1 Å²	1	20.7 Å²	20.7	1%	0.005	12%	0.117	C	C	.	.			trans	48.8	28	177.2	-62.5	171	0	0	0	114.7	V743 I744 R748 F752 F842 L845 W846 R849 F901	V743-L746 WeakPolarHBondContact O-CD2 3.42Å; V743-L746 PolarHBondContact O-N 3.44Å; I744-L746 PolarHBondContact O-N 3.49Å; L746-R748 CarbonylContact O-C 3.57Å; L746-R748 PolarHBondContact O-N 3.38Å; L746-F752 HydrophobicContact CD1-CD2 4.33Å; L746-F752 HydrophobicContact CD2-CB 4.45Å; L746-F752 HydrophobicContact CD2-CD2 3.99Å; L746-F842 HydrophobicContact CD2-CE2 4.17Å; L746-F842 HydrophobicContact CG-CE2 4.37Å; L746-L845 HydrophobicContact CD1-CB 4.13Å; L746-W846 HydrophobicContact CD1-CB 4.12Å; L746-W846 HydrophobicContact CD1-CE3 4.29Å; L746-R849 HydrophobicContact CD1-CG 4.39Å; L746-F901 HydrophobicContact CB-CE1 3.91Å; L746-F901 HydrophobicContact CB-CZ 4.1Å; L746-F901 WeakPolarHBondContact O-CE1 3.35Å
747	G	80	Confident	89.1	Confident	33 Å²	33	25.8 Å²	25.8	34%	0.34	14%	0.144	S	C	.	.			trans	-63	-13.7	-170.2	0	0	0	0	0	114.9	K741 K742 L745	K741-G747 VanDerWaalsContact O-CA 3.28Å; K741-G747 WeakPolarHBondContact O-CA 3.3Å; K741-G747 PolarHBondContact O-N 2.76Å; K742-G747 PolarHBondContact O-N 2.9Å; L745-G747 PolarHBondContact O-N 2.88Å
748	R	77.3	Confident	89.2	Confident	103 Å²	103	27 Å²	27	39%	0.389	15%	0.152	S	C	.	.			trans	-116.7	135.6	162.8	-65.5	-163.7	173.9	-176.3	2.1	112.3	K742 L746 D750	K742-R748 HydrophobicContact CG-CG 4.5Å; K742-R748 PolarHBondContact O-N 2.97Å; L746-R748 CarbonylContact O-C 3.57Å; L746-R748 PolarHBondContact O-N 3.38Å; R748-D750 WeakPolarHBondContact CB-OD1 3.44Å; R748-D750 WeakPolarHBondContact CD-OD1 3.37Å; R748-D750 VanDerWaalsContact CD-OD2 3.25Å; R748-D750 WeakPolarHBondContact CD-OD2 3.4Å; R748-D750 IonicContact CZ-OD2 3.29Å; R748-D750 IonicContact NE-OD2 2.75Å; R748-D750 IonicContact NH1-OD2 3.74Å; R748-D750 PolarHBondContact NH1-OD2 2.98Å
749	G	81.5	Confident	89.4	Confident	26 Å²	26	24.8 Å²	24.8	27%	0.268	14%	0.141	S	C	.	.	H	α-helix	trans	-77.5	-13.4	172.4	0	0	0	0	0	115.1	T753	G749-T753 VanDerWaalsContact O-CB 3.3Å; G749-T753 WeakPolarHBondContact O-CB 3.4Å; G749-T753 PolarHBondContact O-N 2.95Å; G749-T753 PolarHBondContact O-OG1 3.38Å
750	D	88.1	Confident	89.3	Confident	63 Å²	63	30.6 Å²	30.6	34%	0.337	16%	0.162	S	C	.	.	H	α-helix	trans	-64.9	-56.8	179.3	54.6	8.8	0	0	0	111.2	R748 F752 T753 A754	R748-D750 WeakPolarHBondContact CB-OD1 3.44Å; R748-D750 WeakPolarHBondContact CD-OD1 3.37Å; R748-D750 VanDerWaalsContact CD-OD2 3.25Å; R748-D750 WeakPolarHBondContact CD-OD2 3.4Å; R748-D750 IonicContact CZ-OD2 3.29Å; R748-D750 IonicContact NE-OD2 2.75Å; R748-D750 IonicContact NH1-OD2 3.74Å; R748-D750 PolarHBondContact NH1-OD2 2.98Å; D750-F752 PolarHBondContact O-N 2.88Å; D750-T753 PolarHBondContact O-N 2.73Å; D750-A754 WeakPolarHBondContact O-CB 3.45Å; D750-A754 PolarHBondContact O-N 3.09Å
751	F	91.4	Very high	89.2	Confident	1 Å²	1	35.2 Å²	35.2	0%	0.004	19%	0.19	C	C	.	.	H	α-helix	trans	-57.7	-44.8	175.9	168.8	-100.9	0	0	0	112.4	V743 T753 A754 F755 V779 L783 C786 I818	V743-F751 HydrophobicContact CG1-CD1 4.37Å; V743-F751 HydrophobicContact CG1-CE1 3.74Å; V743-F751 HydrophobicContact CG1-CZ 4.03Å; F751-T753 PolarHBondContact O-N 2.79Å; F751-A754 PolarHBondContact O-N 2.8Å; F751-F755 HydrophobicContact CZ-CB 4.47Å; F751-F755 VanDerWaalsContact O-CB 3.28Å; F751-F755 WeakPolarHBondContact O-CB 3.33Å; F751-F755 PolarHBondContact O-N 2.93Å; F751-V779 HydrophobicContact CE2-CG1 4.34Å; F751-V779 HydrophobicContact CZ-CG1 4.25Å; F751-L783 HydrophobicContact CD2-CD2 3.98Å; F751-L783 HydrophobicContact CD2-CG 4.3Å; F751-L783 HydrophobicContact CE2-CD2 3.92Å; F751-L783 HydrophobicContact CE2-CG 3.92Å; F751-C786 VanDerWaalsContact CA-SG 3.58Å; F751-I818 HydrophobicContact CE1-CD1 4.06Å; F751-I818 HydrophobicContact CZ-CD1 3.96Å
752	F	90.9	Very high	89.2	Confident	7 Å²	7	34.2 Å²	34.2	3%	0.031	19%	0.186	C	C	.	.	H	α-helix	trans	-60.5	-43.8	177.8	174.6	-97	0	0	0	112.2	L746 D750 F755 I756 W846 R849	L746-F752 HydrophobicContact CD1-CD2 4.33Å; L746-F752 HydrophobicContact CD2-CB 4.45Å; L746-F752 HydrophobicContact CD2-CD2 3.99Å; D750-F752 PolarHBondContact O-N 2.88Å; F752-F755 PolarHBondContact O-N 2.95Å; F752-I756 HydrophobicContact CD1-CD1 4.48Å; F752-I756 HydrophobicContact CD2-CD1 4.41Å; F752-I756 HydrophobicContact CE1-CD1 3.71Å; F752-I756 HydrophobicContact CE2-CD1 3.63Å; F752-I756 HydrophobicContact CE2-CG1 4.35Å; F752-I756 HydrophobicContact CZ-CD1 3.22Å; F752-I756 HydrophobicContact CZ-CG1 4.28Å; F752-I756 PolarHBondContact O-N 3.1Å; F752-W846 AromaticContact CD2-CE3 3.96Å; F752-W846 HydrophobicContact CD2-CE3 3.96Å; F752-W846 AromaticContact CD2-CZ3 3.77Å; F752-W846 HydrophobicContact CD2-CZ3 3.77Å; F752-W846 HydrophobicContact CE2-CD2 4.29Å; F752-W846 AromaticContact CE2-CE3 3.6Å; F752-W846 HydrophobicContact CE2-CE3 3.6Å; F752-W846 HydrophobicContact CE2-CH2 4.26Å; F752-W846 AromaticContact CE2-CZ3 3.58Å; F752-W846 HydrophobicContact CE2-CZ3 3.58Å; F752-R849 HydrophobicContact CD1-CB 4.36Å; F752-R849 HydrophobicContact CD2-CB 4.27Å; F752-R849 HydrophobicContact CE1-CB 3.8Å; F752-R849 HydrophobicContact CE2-CB 3.69Å; F752-R849 HydrophobicContact CZ-CB 3.43Å; F752-R849 VanDerWaalsContact CZ-CB 3.43Å
753	T	90.9	Very high	89.2	Confident	55 Å²	55	32 Å²	32	34%	0.337	18%	0.176	S	C	.	.	H	α-helix	trans	-67.4	-45.7	179	-56.4	0	0	0	0	111.2	G749 D750 F751 F755 I756 I757 Y853	G749-T753 VanDerWaalsContact O-CB 3.3Å; G749-T753 WeakPolarHBondContact O-CB 3.4Å; G749-T753 PolarHBondContact O-N 2.95Å; G749-T753 PolarHBondContact O-OG1 3.38Å; D750-T753 PolarHBondContact O-N 2.73Å; F751-T753 PolarHBondContact O-N 2.79Å; T753-F755 VanDerWaalsContact C-N 3.32Å; T753-F755 PolarHBondContact O-N 2.89Å; T753-I756 PolarHBondContact O-N 3.26Å; T753-I757 HydrophobicContact CG2-CD1 3.77Å; T753-I757 WeakPolarHBondContact O-CB 3.46Å; T753-I757 VanDerWaalsContact O-CG1 3.27Å; T753-I757 WeakPolarHBondContact O-CG1 3.46Å; T753-I757 PolarHBondContact O-N 3.07Å; T753-Y853 HydrophobicContact CG2-CE2 4.27Å
754	A	91	Very high	89	Confident	16 Å²	16	36.1 Å²	36.1	13%	0.132	20%	0.196	C	C	.	.	H	α-helix	trans	-60.8	-40.1	175.7	0	0	0	0	0	112.2	D750 F751 S758 S782	D750-A754 WeakPolarHBondContact O-CB 3.45Å; D750-A754 PolarHBondContact O-N 3.09Å; F751-A754 PolarHBondContact O-N 2.8Å; A754-S758 WeakPolarHBondContact O-CB 3.45Å; A754-S758 PolarHBondContact O-N 3.32Å; A754-S758 PolarHBondContact O-OG 2.92Å; A754-S782 PolarHBondContact O-OG 2.88Å; A754-S782 VanDerWaalsContact O-OG 3.09Å
755	F	93.3	Very high	88.8	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-68.5	-44.9	178.7	-179.5	-117.9	0	0	0	112.2	F751 F752 T753 I757 S758 A759 L775 F778 V779 S782 V816 I818 W846	F751-F755 HydrophobicContact CZ-CB 4.47Å; F751-F755 VanDerWaalsContact O-CB 3.28Å; F751-F755 WeakPolarHBondContact O-CB 3.33Å; F751-F755 PolarHBondContact O-N 2.93Å; F752-F755 PolarHBondContact O-N 2.95Å; T753-F755 VanDerWaalsContact C-N 3.32Å; T753-F755 PolarHBondContact O-N 2.89Å; F755-I757 PolarHBondContact O-N 3.25Å; F755-S758 PolarHBondContact O-N 2.7Å; F755-S758 PolarHBondContact O-OG 3.47Å; F755-A759 HydrophobicContact CD2-CB 4.16Å; F755-A759 HydrophobicContact CE2-CB 3.82Å; F755-A759 HydrophobicContact CZ-CB 4.16Å; F755-A759 WeakPolarHBondContact O-CB 3.14Å; F755-A759 PolarHBondContact O-N 2.94Å; F755-L775 HydrophobicContact CZ-CD2 4.48Å; F755-F778 HydrophobicContact CD2-CB 4.16Å; F755-F778 HydrophobicContact CE2-CB 3.95Å; F755-V779 HydrophobicContact CD2-CG2 3.86Å; F755-V779 HydrophobicContact CE2-CB 4.47Å; F755-V779 HydrophobicContact CE2-CG2 3.45Å; F755-V779 VanDerWaalsContact CE2-CG2 3.45Å; F755-V779 HydrophobicContact CZ-CG2 3.98Å; F755-S782 VanDerWaalsContact CA-OG 3.25Å; F755-S782 WeakPolarHBondContact CA-OG 3.38Å; F755-S782 PolarHBondContact N-OG 3.35Å; F755-S782 VanDerWaalsContact N-OG 3.16Å; F755-V816 HydrophobicContact CE1-CG1 4.48Å; F755-I818 HydrophobicContact CD1-CD1 4.35Å; F755-I818 HydrophobicContact CE1-CD1 4.15Å; F755-I818 HydrophobicContact CZ-CD1 4.49Å; F755-W846 AromaticContact CD1-CH2 3.73Å; F755-W846 HydrophobicContact CD1-CH2 3.73Å; F755-W846 AromaticContact CD1-CZ3 3.86Å; F755-W846 HydrophobicContact CD1-CZ3 3.86Å; F755-W846 AromaticContact CE1-CH2 3.63Å; F755-W846 HydrophobicContact CE1-CH2 3.63Å; F755-W846 AromaticContact CE1-CZ3 4Å; F755-W846 HydrophobicContact CE1-CZ3 4Å
756	I	91.8	Very high	88.4	Confident	2 Å²	2	41 Å²	41	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-65.6	-38.5	176.4	-73.1	-170.9	0	0	0	112	F752 T753 R760 L763 Y813 W846 Y853	F752-I756 HydrophobicContact CD1-CD1 4.48Å; F752-I756 HydrophobicContact CD2-CD1 4.41Å; F752-I756 HydrophobicContact CE1-CD1 3.71Å; F752-I756 HydrophobicContact CE2-CD1 3.63Å; F752-I756 HydrophobicContact CE2-CG1 4.35Å; F752-I756 HydrophobicContact CZ-CD1 3.22Å; F752-I756 HydrophobicContact CZ-CG1 4.28Å; F752-I756 PolarHBondContact O-N 3.1Å; T753-I756 PolarHBondContact O-N 3.26Å; I756-R760 WeakPolarHBondContact O-CA 3.19Å; I756-R760 WeakPolarHBondContact O-CB 3.38Å; I756-R760 PolarHBondContact O-N 3.33Å; I756-R760 VanDerWaalsContact O-N 3.12Å; I756-L763 HydrophobicContact CG1-CD1 4.31Å; I756-Y813 HydrophobicContact CD1-CE1 4.32Å; I756-Y813 HydrophobicContact CG1-CE1 4.44Å; I756-Y813 HydrophobicContact CG2-CE1 4.35Å; I756-W846 HydrophobicContact CD1-CH2 4.19Å; I756-W846 HydrophobicContact CG1-CH2 3.95Å; I756-Y853 HydrophobicContact CG2-CD1 4.09Å; I756-Y853 HydrophobicContact CG2-CE1 3.5Å
757	I	90.9	Very high	87.9	Confident	109 Å²	109	41.6 Å²	41.6	56%	0.559	23%	0.225	S	C	*	.	H	α-helix	trans	-66	-44.5	177.8	-70	170.6	0	0	0	111.2	T753 F755	T753-I757 HydrophobicContact CG2-CD1 3.77Å; T753-I757 WeakPolarHBondContact O-CB 3.46Å; T753-I757 VanDerWaalsContact O-CG1 3.27Å; T753-I757 WeakPolarHBondContact O-CG1 3.46Å; T753-I757 PolarHBondContact O-N 3.07Å; F755-I757 PolarHBondContact O-N 3.25Å
758	S	91	Very high	87.9	Confident	28 Å²	28	45 Å²	45	20%	0.196	24%	0.241	C	C	.	.	H	α-helix	trans	-75	-39.6	-178.4	60.6	0	0	0	0	113.4	A754 F755 F778 S782	A754-S758 WeakPolarHBondContact O-CB 3.45Å; A754-S758 PolarHBondContact O-N 3.32Å; A754-S758 PolarHBondContact O-OG 2.92Å; F755-S758 PolarHBondContact O-N 2.7Å; F755-S758 PolarHBondContact O-OG 3.47Å; S758-F778 WeakPolarHBondContact O-CD1 3.37Å; S758-F778 WeakPolarHBondContact O-CE1 3.43Å; S758-S782 PolarHBondContact OG-OG 2.81Å; S758-S782 VanDerWaalsContact OG-OG 3.1Å
759	A	92.2	Very high	88.3	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-89.9	-0.2	-176.6	0	0	0	0	0	114.7	F755 T761 E762 L763 L775 F778	F755-A759 HydrophobicContact CD2-CB 4.16Å; F755-A759 HydrophobicContact CE2-CB 3.82Å; F755-A759 HydrophobicContact CZ-CB 4.16Å; F755-A759 WeakPolarHBondContact O-CB 3.14Å; F755-A759 PolarHBondContact O-N 2.94Å; A759-T761 VanDerWaalsContact C-N 3.32Å; A759-T761 PolarHBondContact O-N 3.28Å; A759-T761 VanDerWaalsContact O-N 3.14Å; A759-E762 WeakPolarHBondContact O-CA 3.48Å; A759-E762 WeakPolarHBondContact O-CB 3.42Å; A759-E762 PolarHBondContact O-N 2.84Å; A759-L763 HydrophobicContact CB-CD1 3.84Å; A759-L763 HydrophobicContact CB-CG 3.94Å; A759-L763 WeakPolarHBondContact O-CG 3.45Å; A759-L763 PolarHBondContact O-N 3.37Å; A759-L775 HydrophobicContact CB-CD2 4.24Å; A759-F778 HydrophobicContact CB-CB 3.8Å; A759-F778 HydrophobicContact CB-CD2 3.65Å; A759-F778 HydrophobicContact CB-CE2 4.42Å; A759-F778 HydrophobicContact CB-CG 3.84Å
760	R	89.4	Confident	88.4	Confident	124 Å²	124	45.5 Å²	45.5	47%	0.468	24%	0.243	S	C	.	.	H	α-helix	trans	-43.6	-52.1	-172.9	-176.9	177	175.9	-179.6	-0.3	113.9	I756 E762 L763 E764	I756-R760 WeakPolarHBondContact O-CA 3.19Å; I756-R760 WeakPolarHBondContact O-CB 3.38Å; I756-R760 PolarHBondContact O-N 3.33Å; I756-R760 VanDerWaalsContact O-N 3.12Å; R760-E762 PolarHBondContact O-N 2.82Å; R760-E762 VanDerWaalsContact O-N 3.16Å; R760-L763 PolarHBondContact O-N 2.7Å; R760-L763 VanDerWaalsContact O-N 3.15Å; R760-E764 HydrophobicContact CG-CG 4.23Å; R760-E764 IonicContact CZ-OE1 2.71Å; R760-E764 IonicContact NE-OE1 2.78Å; R760-E764 PolarHBondContact NE-OE1 3.26Å; R760-E764 IonicContact NE-OE2 2.71Å; R760-E764 IonicContact NH2-OE1 2.69Å; R760-E764 PolarHBondContact NH2-OE1 2.85Å; R760-E764 WeakPolarHBondContact O-CG 3.25Å; R760-E764 PolarHBondContact O-N 2.87Å
761	T	88.9	Confident	88.4	Confident	97 Å²	97	44.2 Å²	44.2	60%	0.595	24%	0.239	S	C	*	.	H	α-helix	trans	-66.6	-14.2	-177.2	51.6	0	0	0	0	114.4	A759	A759-T761 VanDerWaalsContact C-N 3.32Å; A759-T761 PolarHBondContact O-N 3.28Å; A759-T761 VanDerWaalsContact O-N 3.14Å
762	E	89.8	Confident	88.3	Confident	3 Å²	3	48.1 Å²	48.1	1%	0.014	26%	0.259	C	S	.	.	H	α-helix	trans	-99.6	-32.2	175.4	-155	64.9	-149.7	0	0	111.2	A759 R760 K765 A770 S771 Q774 L775 F778	A759-E762 WeakPolarHBondContact O-CA 3.48Å; A759-E762 WeakPolarHBondContact O-CB 3.42Å; A759-E762 PolarHBondContact O-N 2.84Å; R760-E762 PolarHBondContact O-N 2.82Å; R760-E762 VanDerWaalsContact O-N 3.16Å; E762-K765 IonicContact OE1-NZ 3.34Å; E762-K765 PolarHBondContact OE1-NZ 3.42Å; E762-K765 WeakPolarHBondContact OE2-CE 3.33Å; E762-K765 IonicContact OE2-NZ 2.71Å; E762-K765 PolarHBondContact OE2-NZ 3.28Å; E762-A770 WeakPolarHBondContact OE1-CA 3.46Å; E762-S771 PolarHBondContact OE1-N 2.97Å; E762-Q774 HydrophobicContact CG-CB 4.19Å; E762-Q774 PolarHBondContact OE2-NE2 3.18Å; E762-L775 HydrophobicContact CB-CD2 3.9Å; E762-L775 HydrophobicContact CG-CD2 3.77Å; E762-L775 HydrophobicContact CG-CG 3.99Å; E762-F778 HydrophobicContact CB-CE2 4Å; E762-F778 HydrophobicContact CG-CE2 4.47Å
763	L	89.6	Confident	88.2	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-75.7	-30.6	177.6	-64.2	174.7	0	0	0	113.2	I756 A759 R760 K765 L775 T812 Y813 V816 W846	I756-L763 HydrophobicContact CG1-CD1 4.31Å; A759-L763 HydrophobicContact CB-CD1 3.84Å; A759-L763 HydrophobicContact CB-CG 3.94Å; A759-L763 WeakPolarHBondContact O-CG 3.45Å; A759-L763 PolarHBondContact O-N 3.37Å; R760-L763 PolarHBondContact O-N 2.7Å; R760-L763 VanDerWaalsContact O-N 3.15Å; L763-K765 VanDerWaalsContact C-N 3.3Å; L763-K765 PolarHBondContact O-N 3.11Å; L763-L775 HydrophobicContact CD2-CD2 3.88Å; L763-L775 HydrophobicContact CG-CD2 4.37Å; L763-T812 HydrophobicContact CD2-CG2 4.33Å; L763-T812 WeakPolarHBondContact O-CB 3.16Å; L763-T812 PolarHBondContact O-N 3.18Å; L763-T812 VanDerWaalsContact O-N 3.08Å; L763-Y813 VanDerWaalsContact C-CD2 3.48Å; L763-Y813 HydrophobicContact CB-CD1 3.85Å; L763-Y813 HydrophobicContact CB-CD2 3.76Å; L763-Y813 HydrophobicContact CB-CE1 3.6Å; L763-Y813 HydrophobicContact CB-CE2 3.5Å; L763-Y813 VanDerWaalsContact CB-CE2 3.5Å; L763-Y813 HydrophobicContact CB-CG 3.92Å; L763-Y813 VanDerWaalsContact CB-CZ 3.41Å; L763-Y813 HydrophobicContact CD1-CD1 4.04Å; L763-Y813 HydrophobicContact CD1-CE1 3.49Å; L763-Y813 VanDerWaalsContact CD1-CE1 3.49Å; L763-Y813 HydrophobicContact CG-CD1 4.39Å; L763-Y813 HydrophobicContact CG-CE1 4.12Å; L763-Y813 WeakPolarHBondContact O-CD2 3.49Å; L763-Y813 PolarHBondContact O-N 3.12Å; L763-Y813 VanDerWaalsContact O-N 3.11Å; L763-V816 HydrophobicContact CD2-CB 4.46Å; L763-V816 HydrophobicContact CD2-CG2 3.42Å; L763-V816 VanDerWaalsContact CD2-CG2 3.42Å; L763-W846 HydrophobicContact CD1-CH2 4.49Å
764	E	86.4	Confident	88.2	Confident	88 Å²	88	55.8 Å²	55.8	41%	0.411	29%	0.294	S	S	.	.	S	Bend	trans	-71.3	-20.4	176.1	-73.4	177.8	155.3	0	0	113.3	R760 Y813	R760-E764 HydrophobicContact CG-CG 4.23Å; R760-E764 IonicContact CZ-OE1 2.71Å; R760-E764 IonicContact NE-OE1 2.78Å; R760-E764 PolarHBondContact NE-OE1 3.26Å; R760-E764 IonicContact NE-OE2 2.71Å; R760-E764 IonicContact NH2-OE1 2.69Å; R760-E764 PolarHBondContact NH2-OE1 2.85Å; R760-E764 WeakPolarHBondContact O-CG 3.25Å; R760-E764 PolarHBondContact O-N 2.87Å; E764-Y813 HydrophobicContact CG-CE2 3.76Å
765	K	87.8	Confident	88.3	Confident	59 Å²	59	55 Å²	55	26%	0.257	29%	0.288	S	S	.	.	S	Bend	trans	-66.1	155	178.5	-63.4	-178.8	179	178.2	0	112.7	E762 L763 E769 K811 T812	E762-K765 IonicContact OE1-NZ 3.34Å; E762-K765 PolarHBondContact OE1-NZ 3.42Å; E762-K765 WeakPolarHBondContact OE2-CE 3.33Å; E762-K765 IonicContact OE2-NZ 2.71Å; E762-K765 PolarHBondContact OE2-NZ 3.28Å; L763-K765 VanDerWaalsContact C-N 3.3Å; L763-K765 PolarHBondContact O-N 3.11Å; K765-E769 HydrophobicContact CB-CB 4.32Å; K765-E769 HydrophobicContact CD-CB 4.27Å; K765-E769 WeakPolarHBondContact CD-O 3.41Å; K765-E769 PolarHBondContact NZ-O 2.92Å; K765-K811 CarbonylContact O-C 3.59Å; K765-T812 WeakPolarHBondContact O-CB 3.25Å; K765-T812 PolarHBondContact O-N 3.36Å; K765-T812 PolarHBondContact O-OG1 3.26Å
766	P	84.7	Confident	88.2	Confident	47 Å²	47	56.3 Å²	56.3	31%	0.305	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-55.2	143.2	162.1	-20.9	32.9	0	0	0	111.8	P768 E769 T812	P766-P768 VanDerWaalsContact C-CD 3.45Å; P766-P768 HydrophobicContact CB-CG 4.46Å; P766-E769 PolarHBondContact O-N 3.2Å; P766-T812 PolarHBondContact O-OG1 3.27Å
767	L	80	Confident	88.2	Confident	13 Å²	13	58.7 Å²	58.7	7%	0.068	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-42.7	-47.6	178.7	-79.6	163.1	0	0	0	115.9	E769 A770 R810 T812	L767-E769 PolarHBondContact O-N 3.25Å; L767-A770 PolarHBondContact O-N 2.97Å; L767-R810 HydrophobicContact CD1-CB 4.14Å; L767-R810 PolarHBondContact N-O 3.18Å; L767-R810 VanDerWaalsContact N-O 3.09Å; L767-T812 WeakPolarHBondContact CA-OG1 3.44Å; L767-T812 PolarHBondContact N-OG1 3.24Å
768	P	80.2	Confident	88.3	Confident	104 Å²	104	55.5 Å²	55.5	68%	0.675	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-72.1	-9.4	-178.8	28.5	-36.8	0	0	0	115.1	P766	P766-P768 VanDerWaalsContact C-CD 3.45Å; P766-P768 HydrophobicContact CB-CG 4.46Å
769	E	84.1	Confident	88.4	Confident	126 Å²	126	54.3 Å²	54.3	59%	0.589	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-99.3	-6.6	-179.6	-63.7	-178.1	-168.7	0	0	113.5	K765 P766 L767	K765-E769 HydrophobicContact CB-CB 4.32Å; K765-E769 HydrophobicContact CD-CB 4.27Å; K765-E769 WeakPolarHBondContact CD-O 3.41Å; K765-E769 PolarHBondContact NZ-O 2.92Å; P766-E769 PolarHBondContact O-N 3.2Å; L767-E769 PolarHBondContact O-N 3.25Å
770	A	84.8	Confident	88.3	Confident	14 Å²	14	58.3 Å²	58.3	12%	0.116	31%	0.305	C	S	.	.			trans	-86.5	130	-175.9	0	0	0	0	0	113	E762 L767 L803 T812	E762-A770 WeakPolarHBondContact OE1-CA 3.46Å; L767-A770 PolarHBondContact O-N 2.97Å; A770-L803 HydrophobicContact CB-CD1 3.95Å; A770-T812 HydrophobicContact CB-CG2 3.59Å; A770-T812 VanDerWaalsContact CB-OG1 3.29Å; A770-T812 WeakPolarHBondContact CB-OG1 3.44Å
771	S	87.6	Confident	88.5	Confident	36 Å²	36	55.6 Å²	55.6	25%	0.252	30%	0.302	S	S	.	.			trans	-88.5	111.6	-179.9	-179.5	0	0	0	0	111.4	E762 I773 Q774 L775	E762-S771 PolarHBondContact OE1-N 2.97Å; S771-I773 PolarHBondContact O-N 3.44Å; S771-I773 VanDerWaalsContact O-N 3.13Å; S771-Q774 VanDerWaalsContact CB-OE1 3.25Å; S771-Q774 PolarHBondContact O-N 3.22Å; S771-Q774 PolarHBondContact OG-N 3.01Å; S771-L775 PolarHBondContact O-N 3.47Å
772	I	89.1	Confident	88.7	Confident	82 Å²	82	51 Å²	51	42%	0.421	27%	0.273	S	S	.	.	H	α-helix	trans	-51.5	-35.3	171.3	-59.3	175.5	0	0	0	111.3	S776 V801 L803	I772-S776 VanDerWaalsContact O-CB 3.31Å; I772-S776 WeakPolarHBondContact O-CB 3.31Å; I772-S776 PolarHBondContact O-N 3.31Å; I772-V801 HydrophobicContact CG2-CB 4.43Å; I772-V801 WeakPolarHBondContact CG2-O 3.23Å; I772-L803 HydrophobicContact CD1-CB 4.48Å; I772-L803 HydrophobicContact CG1-CB 4.41Å; I772-L803 HydrophobicContact CG1-CD1 3.75Å; I772-L803 HydrophobicContact CG1-CG 3.96Å
773	I	89.7	Confident	88.8	Confident	141 Å²	141	50.9 Å²	50.9	72%	0.723	27%	0.273	S	S	*	.	H	α-helix	trans	-66.7	-41.6	178.1	-57.9	176.4	0	0	0	110.8	S771 S777	S771-I773 PolarHBondContact O-N 3.44Å; S771-I773 VanDerWaalsContact O-N 3.13Å; I773-S777 PolarHBondContact O-N 3.25Å
774	Q	91	Very high	88.8	Confident	82 Å²	82	59.5 Å²	59.5	38%	0.383	31%	0.306	S	S	.	.	H	α-helix	trans	-69	-46	176.5	-69.1	176	-112.3	0	0	111	E762 S771 S776 S777 F778	E762-Q774 HydrophobicContact CG-CB 4.19Å; E762-Q774 PolarHBondContact OE2-NE2 3.18Å; S771-Q774 VanDerWaalsContact CB-OE1 3.25Å; S771-Q774 PolarHBondContact O-N 3.22Å; S771-Q774 PolarHBondContact OG-N 3.01Å; Q774-S776 VanDerWaalsContact C-N 3.34Å; Q774-S776 PolarHBondContact O-N 3.32Å; Q774-S777 CarbonylContact O-C 3.46Å; Q774-S777 WeakPolarHBondContact O-CA 3.14Å; Q774-S777 WeakPolarHBondContact O-CB 3.36Å; Q774-S777 PolarHBondContact O-N 2.98Å; Q774-S777 PolarHBondContact O-OG 3.31Å; Q774-F778 HydrophobicContact CB-CE2 4.1Å; Q774-F778 WeakPolarHBondContact O-CD2 3.35Å; Q774-F778 PolarHBondContact O-N 2.84Å
775	L	91.5	Very high	89	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-57.5	-43.9	174.8	-64.4	174.2	0	0	0	112.1	F755 A759 E762 L763 S771 S777 F778 V779 V801 L803 T812 V816	F755-L775 HydrophobicContact CZ-CD2 4.48Å; A759-L775 HydrophobicContact CB-CD2 4.24Å; E762-L775 HydrophobicContact CB-CD2 3.9Å; E762-L775 HydrophobicContact CG-CD2 3.77Å; E762-L775 HydrophobicContact CG-CG 3.99Å; L763-L775 HydrophobicContact CD2-CD2 3.88Å; L763-L775 HydrophobicContact CG-CD2 4.37Å; S771-L775 PolarHBondContact O-N 3.47Å; L775-S777 VanDerWaalsContact C-N 3.29Å; L775-S777 PolarHBondContact O-N 3.49Å; L775-F778 PolarHBondContact O-N 3.37Å; L775-V779 WeakPolarHBondContact O-CG2 3.12Å; L775-V779 PolarHBondContact O-N 3.01Å; L775-V801 HydrophobicContact CB-CG1 3.9Å; L775-V801 HydrophobicContact CB-CG2 4.49Å; L775-V801 HydrophobicContact CD1-CG1 4.17Å; L775-L803 HydrophobicContact CD1-CD1 4.17Å; L775-L803 HydrophobicContact CD1-CD2 3.92Å; L775-L803 HydrophobicContact CD1-CG 4.27Å; L775-T812 HydrophobicContact CD1-CG2 4.28Å; L775-V816 HydrophobicContact CD1-CG2 4.12Å
776	S	91.4	Very high	89	Confident	28 Å²	28	59.8 Å²	59.8	20%	0.196	31%	0.311	C	S	.	.	H	α-helix	trans	-61.1	-35.6	172.7	178.8	0	0	0	0	112.6	I772 Q774 K780	I772-S776 VanDerWaalsContact O-CB 3.31Å; I772-S776 WeakPolarHBondContact O-CB 3.31Å; I772-S776 PolarHBondContact O-N 3.31Å; Q774-S776 VanDerWaalsContact C-N 3.34Å; Q774-S776 PolarHBondContact O-N 3.32Å; S776-K780 WeakPolarHBondContact O-CD 3.05Å; S776-K780 WeakPolarHBondContact O-CG 3.38Å; S776-K780 PolarHBondContact O-N 3.28Å; S776-K780 PolarHBondContact OG-NZ 3.07Å
777	S	91.7	Very high	89.2	Confident	52 Å²	52	58.9 Å²	58.9	36%	0.364	30%	0.301	S	S	.	.	H	α-helix	trans	-68.7	-36.6	174.5	79.8	0	0	0	0	112.8	I773 Q774 L775 K780 V781	I773-S777 PolarHBondContact O-N 3.25Å; Q774-S777 CarbonylContact O-C 3.46Å; Q774-S777 WeakPolarHBondContact O-CA 3.14Å; Q774-S777 WeakPolarHBondContact O-CB 3.36Å; Q774-S777 PolarHBondContact O-N 2.98Å; Q774-S777 PolarHBondContact O-OG 3.31Å; L775-S777 VanDerWaalsContact C-N 3.29Å; L775-S777 PolarHBondContact O-N 3.49Å; S777-K780 WeakPolarHBondContact O-CB 2.8Å; S777-K780 PolarHBondContact O-N 3.21Å; S777-V781 WeakPolarHBondContact O-CG2 3.38Å; S777-V781 PolarHBondContact O-N 3.28Å; S777-V781 VanDerWaalsContact O-N 3.08Å
778	F	93.3	Very high	89.6	Confident	41 Å²	41	65.5 Å²	65.5	18%	0.18	33%	0.332	C	S	.	.	H	α-helix	trans	-69.1	-40.7	174.9	-64.1	-55.3	0	0	0	112.1	F755 S758 A759 E762 Q774 L775 K780 V781 S782	F755-F778 HydrophobicContact CD2-CB 4.16Å; F755-F778 HydrophobicContact CE2-CB 3.95Å; S758-F778 WeakPolarHBondContact O-CD1 3.37Å; S758-F778 WeakPolarHBondContact O-CE1 3.43Å; A759-F778 HydrophobicContact CB-CB 3.8Å; A759-F778 HydrophobicContact CB-CD2 3.65Å; A759-F778 HydrophobicContact CB-CE2 4.42Å; A759-F778 HydrophobicContact CB-CG 3.84Å; E762-F778 HydrophobicContact CB-CE2 4Å; E762-F778 HydrophobicContact CG-CE2 4.47Å; Q774-F778 HydrophobicContact CB-CE2 4.1Å; Q774-F778 WeakPolarHBondContact O-CD2 3.35Å; Q774-F778 PolarHBondContact O-N 2.84Å; L775-F778 PolarHBondContact O-N 3.37Å; F778-K780 VanDerWaalsContact C-N 3.26Å; F778-K780 PolarHBondContact O-N 3.18Å; F778-V781 PolarHBondContact O-N 3.37Å; F778-V781 VanDerWaalsContact O-N 3.09Å; F778-S782 PolarHBondContact O-N 2.94Å; F778-S782 PolarHBondContact O-OG 2.88Å
779	V	92.3	Very high	90	Very high	3 Å²	3	63.8 Å²	63.8	2%	0.018	33%	0.327	C	S	.	.	H	α-helix	trans	-54.9	-43.3	170.6	172.8	0	0	0	0	111	F751 F755 L775 V781 S782 L783 V801 I818	F751-V779 HydrophobicContact CE2-CG1 4.34Å; F751-V779 HydrophobicContact CZ-CG1 4.25Å; F755-V779 HydrophobicContact CD2-CG2 3.86Å; F755-V779 HydrophobicContact CE2-CB 4.47Å; F755-V779 HydrophobicContact CE2-CG2 3.45Å; F755-V779 VanDerWaalsContact CE2-CG2 3.45Å; F755-V779 HydrophobicContact CZ-CG2 3.98Å; L775-V779 WeakPolarHBondContact O-CG2 3.12Å; L775-V779 PolarHBondContact O-N 3.01Å; V779-V781 PolarHBondContact O-N 2.9Å; V779-S782 PolarHBondContact O-N 3.08Å; V779-L783 HydrophobicContact CG1-CD1 3.89Å; V779-L783 HydrophobicContact CG1-CG 4.32Å; V779-L783 WeakPolarHBondContact O-CB 3.42Å; V779-L783 VanDerWaalsContact O-CG 3.25Å; V779-L783 WeakPolarHBondContact O-CG 3.45Å; V779-L783 PolarHBondContact O-N 2.8Å; V779-V801 HydrophobicContact CG2-CG2 3.81Å; V779-I818 HydrophobicContact CG2-CD1 3.93Å; V779-I818 HydrophobicContact CG2-CG1 4.48Å
780	K	91.8	Very high	90.2	Very high	84 Å²	84	64.4 Å²	64.4	37%	0.365	33%	0.334	S	S	.	.	H	α-helix	trans	-63.4	-37.2	176.6	-73.6	161.5	-175.5	163.6	0	113.4	S776 S777 F778 R784 N796	S776-K780 WeakPolarHBondContact O-CD 3.05Å; S776-K780 WeakPolarHBondContact O-CG 3.38Å; S776-K780 PolarHBondContact O-N 3.28Å; S776-K780 PolarHBondContact OG-NZ 3.07Å; S777-K780 WeakPolarHBondContact O-CB 2.8Å; S777-K780 PolarHBondContact O-N 3.21Å; F778-K780 VanDerWaalsContact C-N 3.26Å; F778-K780 PolarHBondContact O-N 3.18Å; K780-R784 WeakPolarHBondContact O-CG 3.39Å; K780-R784 PolarHBondContact O-N 3.33Å; K780-N796 WeakPolarHBondContact CE-OD1 3.3Å; K780-N796 HydrophobicContact CG-CB 4.45Å; K780-N796 WeakPolarHBondContact CG-OD1 3.38Å
781	V	92.2	Very high	90.3	Very high	67 Å²	67	66.7 Å²	66.7	41%	0.406	34%	0.344	S	S	.	.	H	α-helix	trans	-66.8	-54.1	175.3	172	0	0	0	0	109.9	S777 F778 V779 L783 R784 E785	S777-V781 WeakPolarHBondContact O-CG2 3.38Å; S777-V781 PolarHBondContact O-N 3.28Å; S777-V781 VanDerWaalsContact O-N 3.08Å; F778-V781 PolarHBondContact O-N 3.37Å; F778-V781 VanDerWaalsContact O-N 3.09Å; V779-V781 PolarHBondContact O-N 2.9Å; V781-L783 VanDerWaalsContact C-N 3.3Å; V781-L783 PolarHBondContact O-N 3.49Å; V781-R784 WeakPolarHBondContact O-CA 3.34Å; V781-R784 WeakPolarHBondContact O-CB 3.49Å; V781-R784 PolarHBondContact O-N 3.22Å; V781-E785 HydrophobicContact CG1-CG 4.45Å; V781-E785 PolarHBondContact O-N 3.37Å
782	S	92.6	Very high	90.3	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-65.8	-28.9	-176.4	-56.2	0	0	0	0	113.9	A754 F755 S758 F778 V779 C786	A754-S782 PolarHBondContact O-OG 2.88Å; A754-S782 VanDerWaalsContact O-OG 3.09Å; F755-S782 VanDerWaalsContact CA-OG 3.25Å; F755-S782 WeakPolarHBondContact CA-OG 3.38Å; F755-S782 PolarHBondContact N-OG 3.35Å; F755-S782 VanDerWaalsContact N-OG 3.16Å; S758-S782 PolarHBondContact OG-OG 2.81Å; S758-S782 VanDerWaalsContact OG-OG 3.1Å; F778-S782 PolarHBondContact O-N 2.94Å; F778-S782 PolarHBondContact O-OG 2.88Å; V779-S782 PolarHBondContact O-N 3.08Å; S782-C786 WeakPolarHBondContact O-CB 3.4Å; S782-C786 PolarHBondContact O-N 3.37Å; S782-C786 PolarHBondContact O-SG 3.38Å
783	L	91.9	Very high	90.3	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-64.5	-40.7	168.7	-74.5	171.2	0	0	0	112.1	V743 F751 V779 V781 E785 C786 Y787 A792 M795 N796 L799	V743-L783 HydrophobicContact CG2-CD2 4.32Å; F751-L783 HydrophobicContact CD2-CD2 3.98Å; F751-L783 HydrophobicContact CD2-CG 4.3Å; F751-L783 HydrophobicContact CE2-CD2 3.92Å; F751-L783 HydrophobicContact CE2-CG 3.92Å; V779-L783 HydrophobicContact CG1-CD1 3.89Å; V779-L783 HydrophobicContact CG1-CG 4.32Å; V779-L783 WeakPolarHBondContact O-CB 3.42Å; V779-L783 VanDerWaalsContact O-CG 3.25Å; V779-L783 WeakPolarHBondContact O-CG 3.45Å; V779-L783 PolarHBondContact O-N 2.8Å; V781-L783 VanDerWaalsContact C-N 3.3Å; V781-L783 PolarHBondContact O-N 3.49Å; L783-E785 VanDerWaalsContact C-N 3.34Å; L783-C786 PolarHBondContact O-N 3.08Å; L783-Y787 HydrophobicContact CD2-CD2 4Å; L783-Y787 HydrophobicContact CD2-CE2 4.03Å; L783-Y787 WeakPolarHBondContact O-CB 3.49Å; L783-Y787 WeakPolarHBondContact O-CD2 3.23Å; L783-Y787 PolarHBondContact O-N 2.92Å; L783-A792 HydrophobicContact CB-CB 4.09Å; L783-M795 HydrophobicContact CD1-CB 4.42Å; L783-M795 HydrophobicContact CD2-CB 4.35Å; L783-M795 HydrophobicContact CD2-SD 4.25Å; L783-N796 HydrophobicContact CD1-CB 4.05Å; L783-L799 HydrophobicContact CD1-CD1 3.86Å
784	R	91.4	Very high	90.1	Very high	181 Å²	181	61 Å²	61	68%	0.683	31%	0.313	S	S	*	.	H	α-helix	trans	-73	-24	178.2	-71.3	172.4	174.5	-166.9	-2.2	113.5	K780 V781 A792	K780-R784 WeakPolarHBondContact O-CG 3.39Å; K780-R784 PolarHBondContact O-N 3.33Å; V781-R784 WeakPolarHBondContact O-CA 3.34Å; V781-R784 WeakPolarHBondContact O-CB 3.49Å; V781-R784 PolarHBondContact O-N 3.22Å; R784-A792 HydrophobicContact CG-CB 4.04Å
785	E	89.8	Confident	90	Very high	125 Å²	125	57.2 Å²	57.2	58%	0.584	30%	0.295	S	S	*	.	H	α-helix	trans	-76	-32.6	172.4	-68	174.2	148.9	0	0	112.1	V781 L783	V781-E785 HydrophobicContact CG1-CG 4.45Å; V781-E785 PolarHBondContact O-N 3.37Å; L783-E785 VanDerWaalsContact C-N 3.34Å
786	C	88.8	Confident	89.9	Confident	29 Å²	29	58.5 Å²	58.5	20%	0.196	30%	0.302	C	S	.	.	H	α-helix	trans	-98.7	-18.3	-174.2	-59.8	0	0	0	0	115	F751 S782 L783	F751-C786 VanDerWaalsContact CA-SG 3.58Å; S782-C786 WeakPolarHBondContact O-CB 3.4Å; S782-C786 PolarHBondContact O-N 3.37Å; S782-C786 PolarHBondContact O-SG 3.38Å; L783-C786 PolarHBondContact O-N 3.08Å
787	Y	88.9	Confident	89.6	Confident	27 Å²	27	62.4 Å²	62.4	11%	0.106	32%	0.32	C	S	.	.	S	Bend	trans	-137.7	154.6	-173.4	-57.9	-79.4	0	0	0	112.5	K742 L783 M795	K742-Y787 HydrophobicContact CD-CE1 4.38Å; L783-Y787 HydrophobicContact CD2-CD2 4Å; L783-Y787 HydrophobicContact CD2-CE2 4.03Å; L783-Y787 WeakPolarHBondContact O-CB 3.49Å; L783-Y787 WeakPolarHBondContact O-CD2 3.23Å; L783-Y787 PolarHBondContact O-N 2.92Å; Y787-M795 HydrophobicContact CD1-CE 4.18Å; Y787-M795 HydrophobicContact CD1-SD 4.46Å; Y787-M795 HydrophobicContact CD2-SD 4.11Å; Y787-M795 HydrophobicContact CE1-CE 4.09Å; Y787-M795 HydrophobicContact CE1-SD 4.46Å; Y787-M795 HydrophobicContact CE2-SD 4.12Å; Y787-M795 HydrophobicContact CG-SD 4.29Å
788	E	88.5	Confident	89.3	Confident	152 Å²	152	61.3 Å²	61.3	71%	0.71	31%	0.308	S	S	*	.			trans	-58.4	143.8	173.3	-63.6	173.5	171.9	0	0	110.7	D790 I791 A792	E788-D790 VanDerWaalsContact C-N 3.35Å; E788-D790 PolarHBondContact O-N 2.9Å; E788-I791 HydrophobicContact CB-CD1 4.25Å; E788-I791 HydrophobicContact CB-CG1 4.44Å; E788-I791 WeakPolarHBondContact O-CA 3.47Å; E788-I791 WeakPolarHBondContact O-CB 3.48Å; E788-I791 PolarHBondContact O-N 3.05Å; E788-A792 PolarHBondContact O-N 3.25Å
789	A	87.6	Confident	89.2	Confident	68 Å²	68	60 Å²	60	56%	0.562	30%	0.303	S	S	*	.	H	α-helix	trans	-55.8	-42	-163.4	0	0	0	0	0	114.6	A792 A793	A789-A792 PolarHBondContact O-N 3.46Å; A789-A793 WeakPolarHBondContact O-CB 3.32Å; A789-A793 PolarHBondContact O-N 2.91Å
790	D	87.5	Confident	89.1	Confident	140 Å²	140	63.1 Å²	63.1	75%	0.749	32%	0.319	S	S	*	.	H	α-helix	trans	-68.8	-37.4	179.9	-52.2	-38.2	0	0	0	111.6	E788 R794	E788-D790 VanDerWaalsContact C-N 3.35Å; E788-D790 PolarHBondContact O-N 2.9Å; D790-R794 WeakPolarHBondContact O-CB 3.27Å; D790-R794 PolarHBondContact O-N 3.29Å
791	I	87.4	Confident	89.1	Confident	61 Å²	61	59.6 Å²	59.6	31%	0.313	30%	0.304	S	S	.	.	H	α-helix	trans	-66.9	-46.7	174.4	-60.9	180	0	0	0	109.5	F735 E788 A793 R794 M795	F735-I791 HydrophobicContact CE2-CG2 4.01Å; F735-I791 HydrophobicContact CZ-CG2 3.99Å; E788-I791 HydrophobicContact CB-CD1 4.25Å; E788-I791 HydrophobicContact CB-CG1 4.44Å; E788-I791 WeakPolarHBondContact O-CA 3.47Å; E788-I791 WeakPolarHBondContact O-CB 3.48Å; E788-I791 PolarHBondContact O-N 3.05Å; I791-A793 VanDerWaalsContact C-N 3.32Å; I791-A793 PolarHBondContact O-N 2.99Å; I791-R794 PolarHBondContact O-N 3.18Å; I791-M795 HydrophobicContact CG2-CE 3.69Å; I791-M795 HydrophobicContact CG2-CG 4.34Å; I791-M795 HydrophobicContact CG2-SD 4.32Å; I791-M795 WeakPolarHBondContact O-CB 3.45Å; I791-M795 VanDerWaalsContact O-CG 3.27Å; I791-M795 WeakPolarHBondContact O-CG 3.37Å; I791-M795 PolarHBondContact O-N 3.49Å
792	A	88.3	Confident	88.9	Confident	3 Å²	3	59.3 Å²	59.3	3%	0.025	30%	0.298	C	S	.	.	H	α-helix	trans	-60.3	-39.5	178	0	0	0	0	0	112.3	L783 R784 E788 A789 N796	L783-A792 HydrophobicContact CB-CB 4.09Å; R784-A792 HydrophobicContact CG-CB 4.04Å; E788-A792 PolarHBondContact O-N 3.25Å; A789-A792 PolarHBondContact O-N 3.46Å; A792-N796 WeakPolarHBondContact O-CB 3.36Å; A792-N796 PolarHBondContact O-N 2.97Å
793	A	88.2	Confident	88.5	Confident	44 Å²	44	60.6 Å²	60.6	36%	0.364	31%	0.305	S	S	.	.	H	α-helix	trans	-63.9	-52.9	173.7	0	0	0	0	0	111.6	A789 I791 M795 N796 D797	A789-A793 WeakPolarHBondContact O-CB 3.32Å; A789-A793 PolarHBondContact O-N 2.91Å; I791-A793 VanDerWaalsContact C-N 3.32Å; I791-A793 PolarHBondContact O-N 2.99Å; A793-M795 VanDerWaalsContact C-N 3.28Å; A793-M795 PolarHBondContact O-N 3.35Å; A793-N796 WeakPolarHBondContact O-CB 3.26Å; A793-N796 PolarHBondContact O-N 3.29Å; A793-D797 PolarHBondContact O-N 2.94Å; A793-D797 VanDerWaalsContact O-N 3.12Å
794	R	86.4	Confident	87.8	Confident	94 Å²	94	62.3 Å²	62.3	36%	0.355	32%	0.316	S	S	.	.	H	α-helix	trans	-60.9	-35.1	179.2	-167.1	-175.8	-177	-150.8	9.9	113	D732 F735 D790 I791	D732-R794 IonicContact OD2-CZ 3.14Å; D732-R794 IonicContact OD2-NH1 2.63Å; D732-R794 PolarHBondContact OD2-NH1 2.87Å; D732-R794 IonicContact OD2-NH2 2.76Å; D732-R794 PolarHBondContact OD2-NH2 3.45Å; F735-R794 HydrophobicContact CE1-CB 4.26Å; F735-R794 HydrophobicContact CE1-CG 3.84Å; D790-R794 WeakPolarHBondContact O-CB 3.27Å; D790-R794 PolarHBondContact O-N 3.29Å; I791-R794 PolarHBondContact O-N 3.18Å
795	M	88.7	Confident	86.6	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-66.2	-46.3	172.3	-72	-167.9	178.1	0	0	111.7	F735 V739 L783 Y787 I791 A793 D797 W798 L799	F735-M795 HydrophobicContact CE1-CG 4.28Å; F735-M795 HydrophobicContact CE2-CE 3.84Å; F735-M795 HydrophobicContact CZ-CE 3.9Å; F735-M795 HydrophobicContact CZ-CG 3.71Å; V739-M795 HydrophobicContact CG2-CB 4.5Å; V739-M795 HydrophobicContact CG2-CE 4.11Å; V739-M795 HydrophobicContact CG2-CG 3.72Å; V739-M795 HydrophobicContact CG2-SD 4.27Å; L783-M795 HydrophobicContact CD1-CB 4.42Å; L783-M795 HydrophobicContact CD2-CB 4.35Å; L783-M795 HydrophobicContact CD2-SD 4.25Å; Y787-M795 HydrophobicContact CD1-CE 4.18Å; Y787-M795 HydrophobicContact CD1-SD 4.46Å; Y787-M795 HydrophobicContact CD2-SD 4.11Å; Y787-M795 HydrophobicContact CE1-CE 4.09Å; Y787-M795 HydrophobicContact CE1-SD 4.46Å; Y787-M795 HydrophobicContact CE2-SD 4.12Å; Y787-M795 HydrophobicContact CG-SD 4.29Å; I791-M795 HydrophobicContact CG2-CE 3.69Å; I791-M795 HydrophobicContact CG2-CG 4.34Å; I791-M795 HydrophobicContact CG2-SD 4.32Å; I791-M795 WeakPolarHBondContact O-CB 3.45Å; I791-M795 VanDerWaalsContact O-CG 3.27Å; I791-M795 WeakPolarHBondContact O-CG 3.37Å; I791-M795 PolarHBondContact O-N 3.49Å; A793-M795 VanDerWaalsContact C-N 3.28Å; A793-M795 PolarHBondContact O-N 3.35Å; M795-D797 VanDerWaalsContact C-N 3.29Å; M795-D797 PolarHBondContact O-N 3.02Å; M795-W798 PolarHBondContact O-N 2.87Å; M795-L799 WeakPolarHBondContact O-CD1 3.22Å; M795-L799 VanDerWaalsContact O-CG 3.31Å; M795-L799 WeakPolarHBondContact O-CG 3.26Å
796	N	88.3	Confident	85.3	Confident	28 Å²	28	62.4 Å²	62.4	15%	0.15	33%	0.328	C	S	.	.	H	α-helix	trans	-57	-40.5	179.5	163.6	81.9	0	0	0	112.7	K780 L783 A792 A793 W798 L799	K780-N796 WeakPolarHBondContact CE-OD1 3.3Å; K780-N796 HydrophobicContact CG-CB 4.45Å; K780-N796 WeakPolarHBondContact CG-OD1 3.38Å; L783-N796 HydrophobicContact CD1-CB 4.05Å; A792-N796 WeakPolarHBondContact O-CB 3.36Å; A792-N796 PolarHBondContact O-N 2.97Å; A793-N796 WeakPolarHBondContact O-CB 3.26Å; A793-N796 PolarHBondContact O-N 3.29Å; N796-W798 PolarHBondContact O-N 3.41Å; N796-W798 VanDerWaalsContact O-N 3.1Å; N796-L799 PolarHBondContact O-N 3.02Å
797	D	86.2	Confident	83.7	Confident	109 Å²	109	71 Å²	71	58%	0.583	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-14.6	-173.8	-63	-14.5	0	0	0	113.1	A793 M795	A793-D797 PolarHBondContact O-N 2.94Å; A793-D797 VanDerWaalsContact O-N 3.12Å; M795-D797 VanDerWaalsContact C-N 3.29Å; M795-D797 PolarHBondContact O-N 3.02Å
798	W	86.1	Confident	82.1	Confident	29 Å²	29	71.8 Å²	71.8	11%	0.11	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	0.5	172	-66.1	-17.8	0	0	0	114.3	F735 F736 V739 M795 N796 Y820 K821	F735-W798 HydrophobicContact CD1-CE3 4.32Å; F735-W798 AromaticContact CD1-CH2 3.67Å; F735-W798 HydrophobicContact CD1-CH2 3.67Å; F735-W798 AromaticContact CD1-CZ3 3.33Å; F735-W798 HydrophobicContact CD1-CZ3 3.33Å; F735-W798 HydrophobicContact CE1-CE3 4.38Å; F735-W798 HydrophobicContact CE1-CH2 4.34Å; F735-W798 AromaticContact CE1-CZ3 3.79Å; F735-W798 HydrophobicContact CE1-CZ3 3.79Å; F735-W798 HydrophobicContact CG-CZ3 4.35Å; F736-W798 VanDerWaalsContact CA-CZ3 3.42Å; F736-W798 HydrophobicContact CB-CE3 4.36Å; F736-W798 HydrophobicContact CB-CH2 3.94Å; F736-W798 HydrophobicContact CB-CZ3 3.7Å; F736-W798 HydrophobicContact CD2-CD2 4.27Å; F736-W798 AromaticContact CD2-CE3 3.89Å; F736-W798 HydrophobicContact CD2-CE3 3.89Å; F736-W798 HydrophobicContact CD2-CZ3 4.1Å; F736-W798 HydrophobicContact CG-CZ3 4.42Å; V739-W798 HydrophobicContact CG2-CE3 4.09Å; V739-W798 HydrophobicContact CG2-CZ3 4.19Å; M795-W798 PolarHBondContact O-N 2.87Å; N796-W798 PolarHBondContact O-N 3.41Å; N796-W798 VanDerWaalsContact O-N 3.1Å; W798-Y820 CarbonylContact O-C 3.57Å; W798-Y820 WeakPolarHBondContact O-CA 3.44Å; W798-Y820 WeakPolarHBondContact O-CB 3.44Å; W798-K821 PolarHBondContact O-N 3.28Å
799	L	90	Very high	80.5	Confident	15 Å²	15	70.3 Å²	70.3	8%	0.079	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.8	-173.8	-68	165.8	0	0	0	112	V739 V743 I744 L783 M795 N796 I818	V739-L799 HydrophobicContact CG1-CD2 4.32Å; V743-L799 HydrophobicContact CB-CD2 4.46Å; V743-L799 HydrophobicContact CG1-CD1 3.97Å; V743-L799 HydrophobicContact CG1-CD2 3.84Å; V743-L799 HydrophobicContact CG2-CD1 4.46Å; I744-L799 HydrophobicContact CD1-CD2 3.89Å; I744-L799 HydrophobicContact CG1-CD2 4.32Å; L783-L799 HydrophobicContact CD1-CD1 3.86Å; M795-L799 WeakPolarHBondContact O-CD1 3.22Å; M795-L799 VanDerWaalsContact O-CG 3.31Å; M795-L799 WeakPolarHBondContact O-CG 3.26Å; N796-L799 PolarHBondContact O-N 3.02Å; L799-I818 HydrophobicContact CD2-CG2 3.93Å
800	I	90.7	Very high	79.7	Confident	68 Å²	68	72.6 Å²	72.6	35%	0.349	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	147.4	173.5	-69.4	179.3	0	0	0	108	E802 I818 T819 K821	I800-E802 HydrophobicContact CG2-CG 3.96Å; I800-I818 CarbonylContact O-C 3.59Å; I800-I818 WeakPolarHBondContact O-CA 3.45Å; I800-T819 PolarHBondContact N-O 3.17Å; I800-T819 PolarHBondContact O-N 3.37Å; I800-K821 HydrophobicContact CD1-CB 3.76Å; I800-K821 HydrophobicContact CD1-CD 4.27Å; I800-K821 HydrophobicContact CD1-CG 4.19Å; I800-K821 HydrophobicContact CG1-CB 4.08Å
801	V	91.2	Very high	79.3	Confident	10 Å²	10	70.4 Å²	70.4	6%	0.061	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	128.6	163.5	-177.3	0	0	0	0	107.9	I772 L775 V779 V816	I772-V801 HydrophobicContact CG2-CB 4.43Å; I772-V801 WeakPolarHBondContact CG2-O 3.23Å; L775-V801 HydrophobicContact CB-CG1 3.9Å; L775-V801 HydrophobicContact CB-CG2 4.49Å; L775-V801 HydrophobicContact CD1-CG1 4.17Å; V779-V801 HydrophobicContact CG2-CG2 3.81Å; V801-V816 HydrophobicContact CG1-CG1 4.07Å
802	E	87.7	Confident	78.9	Confident	60 Å²	60	67.5 Å²	67.5	28%	0.28	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	146	172.5	-65.1	176.3	-151.4	0	0	109.6	I800 I817 T819 K839	I800-E802 HydrophobicContact CG2-CG 3.96Å; E802-I817 HydrophobicContact CB-CB 4.46Å; E802-I817 PolarHBondContact N-O 3.26Å; E802-I817 PolarHBondContact O-N 3.49Å; E802-T819 HydrophobicContact CB-CG2 4.37Å; E802-T819 VanDerWaalsContact CD-CG2 3.49Å; E802-T819 HydrophobicContact CG-CG2 4.02Å; E802-T819 WeakPolarHBondContact OE1-CB 3.43Å; E802-T819 VanDerWaalsContact OE1-CG2 3.29Å; E802-T819 WeakPolarHBondContact OE1-CG2 3.36Å; E802-T819 PolarHBondContact OE1-OG1 3.36Å; E802-K839 WeakPolarHBondContact OE1-CE 3.3Å; E802-K839 IonicContact OE1-NZ 2.73Å; E802-K839 PolarHBondContact OE1-NZ 2.71Å; E802-K839 IonicContact OE2-NZ 2.82Å; E802-K839 PolarHBondContact OE2-NZ 3.38Å
803	L	84.3	Confident	78.6	Confident	28 Å²	28	68.2 Å²	68.2	15%	0.147	35%	0.346	C	S	.	.			trans	-120.4	140.3	164.5	-66.5	177.7	0	0	0	107.4	A770 I772 L775 T812 V816	A770-L803 HydrophobicContact CB-CD1 3.95Å; I772-L803 HydrophobicContact CD1-CB 4.48Å; I772-L803 HydrophobicContact CG1-CB 4.41Å; I772-L803 HydrophobicContact CG1-CD1 3.75Å; I772-L803 HydrophobicContact CG1-CG 3.96Å; L775-L803 HydrophobicContact CD1-CD1 4.17Å; L775-L803 HydrophobicContact CD1-CD2 3.92Å; L775-L803 HydrophobicContact CD1-CG 4.27Å; L803-T812 HydrophobicContact CD2-CG2 3.92Å; L803-V816 HydrophobicContact CD2-CB 4.5Å; L803-V816 HydrophobicContact CD2-CG2 3.92Å
804	P	77.2	Confident	78.1	Confident	36 Å²	36	68.5 Å²	68.5	23%	0.234	34%	0.342	C	S	.	.			trans	-79.9	142.9	177.3	32	-36.1	0	0	0	111.4	F806 G815	P804-F806 HydrophobicContact CB-CD2 3.59Å; P804-F806 HydrophobicContact CB-CE2 3.61Å; P804-F806 HydrophobicContact CB-CG 4.38Å; P804-F806 HydrophobicContact CB-CZ 4.41Å; P804-F806 HydrophobicContact CG-CD2 3.68Å; P804-F806 HydrophobicContact CG-CE2 3.98Å; P804-F806 PolarHBondContact O-N 2.85Å; P804-G815 WeakPolarHBondContact CD-O 3.27Å
805	D	67.5	Low	77.7	Confident	170 Å²	170	64.2 Å²	64.2	91%	0.909	33%	0.327	S	S	*	.			trans	-74.5	51.3	-178.2	-58.7	-58.5	0	0	0	113.6
806	F	61.7	Low	77.6	Confident	138 Å²	138	64.2 Å²	64.2	61%	0.605	33%	0.327	S	S	*	.			trans	-98.4	122.6	178.9	-63.6	-46.6	0	0	0	112.2	P804 C808	P804-F806 HydrophobicContact CB-CD2 3.59Å; P804-F806 HydrophobicContact CB-CE2 3.61Å; P804-F806 HydrophobicContact CB-CG 4.38Å; P804-F806 HydrophobicContact CB-CZ 4.41Å; P804-F806 HydrophobicContact CG-CD2 3.68Å; P804-F806 HydrophobicContact CG-CE2 3.98Å; P804-F806 PolarHBondContact O-N 2.85Å; F806-C808 HydrophobicContact CB-CB 4.32Å; F806-C808 PolarHBondContact O-N 3.31Å
807	Q	55.3	Low	77.7	Confident	209 Å²	209	63.7 Å²	63.7	98%	0.977	32%	0.324	S	S	*	.			trans	-73.8	60.3	166.9	-64.9	-176	-5.7	0	0	111.2
808	C	54.5	Low	78	Confident	45 Å²	45	58.5 Å²	58.5	30%	0.304	30%	0.296	S	S	.	.			trans	-118.7	135	-179.6	-160.9	0	0	0	0	110.3	F806 R810	F806-C808 HydrophobicContact CB-CB 4.32Å; F806-C808 PolarHBondContact O-N 3.31Å; C808-R810 PolarHBondContact O-N 3Å; C808-R810 VanDerWaalsContact SG-CD 3.55Å
809	S	55.7	Low	78.2	Confident	121 Å²	121	57.5 Å²	57.5	85%	0.846	29%	0.293	S	S	*	.			trans	-70.5	18.4	177.7	51.3	0	0	0	0	114.4
810	R	69.7	Low	78.1	Confident	115 Å²	115	58 Å²	58	43%	0.434	29%	0.294	S	S	.	.			trans	-73.2	145.8	176.5	-75.1	166.2	-179.7	-98.6	-3	110.5	L767 C808 D814	L767-R810 HydrophobicContact CD1-CB 4.14Å; L767-R810 PolarHBondContact N-O 3.18Å; L767-R810 VanDerWaalsContact N-O 3.09Å; C808-R810 PolarHBondContact O-N 3Å; C808-R810 VanDerWaalsContact SG-CD 3.55Å; R810-D814 HydrophobicContact CB-CB 4.13Å; R810-D814 VanDerWaalsContact CD-OD2 3.22Å; R810-D814 WeakPolarHBondContact CD-OD2 3.39Å; R810-D814 WeakPolarHBondContact CG-OD2 3.39Å; R810-D814 IonicContact CZ-OD2 2.63Å; R810-D814 IonicContact NE-OD2 3.05Å; R810-D814 IonicContact NH1-OD2 2.62Å; R810-D814 PolarHBondContact NH1-OD2 3.07Å
811	K	79.3	Confident	77.8	Confident	95 Å²	95	61.4 Å²	61.4	41%	0.413	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-56.5	143.2	169.2	-61	164.8	-178.6	166.3	0	108.9	K765 Y813 D814 D965	K765-K811 CarbonylContact O-C 3.59Å; K811-Y813 HydrophobicContact CB-CD2 4.41Å; K811-Y813 PolarHBondContact O-N 2.84Å; K811-Y813 VanDerWaalsContact O-N 3.09Å; K811-D814 PolarHBondContact O-N 2.88Å; K811-D965 IonicContact NZ-OD1 3.83Å; K811-D965 PolarHBondContact NZ-OD1 2.99Å; K811-D965 IonicContact NZ-OD2 3.9Å; K811-D965 PolarHBondContact NZ-OD2 2.93Å
812	T	79.5	Confident	77	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-58	-28.3	-176.9	-66.9	0	0	0	0	112.6	L763 K765 P766 L767 A770 L775 L803 D814 G815 V816	L763-T812 HydrophobicContact CD2-CG2 4.33Å; L763-T812 WeakPolarHBondContact O-CB 3.16Å; L763-T812 PolarHBondContact O-N 3.18Å; L763-T812 VanDerWaalsContact O-N 3.08Å; K765-T812 WeakPolarHBondContact O-CB 3.25Å; K765-T812 PolarHBondContact O-N 3.36Å; K765-T812 PolarHBondContact O-OG1 3.26Å; P766-T812 PolarHBondContact O-OG1 3.27Å; L767-T812 WeakPolarHBondContact CA-OG1 3.44Å; L767-T812 PolarHBondContact N-OG1 3.24Å; A770-T812 HydrophobicContact CB-CG2 3.59Å; A770-T812 VanDerWaalsContact CB-OG1 3.29Å; A770-T812 WeakPolarHBondContact CB-OG1 3.44Å; L775-T812 HydrophobicContact CD1-CG2 4.28Å; L803-T812 HydrophobicContact CD2-CG2 3.92Å; T812-D814 PolarHBondContact O-N 2.9Å; T812-G815 PolarHBondContact O-N 2.89Å; T812-V816 HydrophobicContact CG2-CG2 3.65Å; T812-V816 WeakPolarHBondContact O-CG2 3.46Å; T812-V816 PolarHBondContact O-N 3.27Å
813	Y	82.5	Confident	76.3	Confident	18 Å²	18	61.6 Å²	61.6	7%	0.071	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-42.3	-34.8	165.3	-78.6	-71.7	0	0	0	115.7	I756 L763 E764 K811 G815 W846 H850	I756-Y813 HydrophobicContact CD1-CE1 4.32Å; I756-Y813 HydrophobicContact CG1-CE1 4.44Å; I756-Y813 HydrophobicContact CG2-CE1 4.35Å; L763-Y813 VanDerWaalsContact C-CD2 3.48Å; L763-Y813 HydrophobicContact CB-CD1 3.85Å; L763-Y813 HydrophobicContact CB-CD2 3.76Å; L763-Y813 HydrophobicContact CB-CE1 3.6Å; L763-Y813 HydrophobicContact CB-CE2 3.5Å; L763-Y813 VanDerWaalsContact CB-CE2 3.5Å; L763-Y813 HydrophobicContact CB-CG 3.92Å; L763-Y813 VanDerWaalsContact CB-CZ 3.41Å; L763-Y813 HydrophobicContact CD1-CD1 4.04Å; L763-Y813 HydrophobicContact CD1-CE1 3.49Å; L763-Y813 VanDerWaalsContact CD1-CE1 3.49Å; L763-Y813 HydrophobicContact CG-CD1 4.39Å; L763-Y813 HydrophobicContact CG-CE1 4.12Å; L763-Y813 WeakPolarHBondContact O-CD2 3.49Å; L763-Y813 PolarHBondContact O-N 3.12Å; L763-Y813 VanDerWaalsContact O-N 3.11Å; E764-Y813 HydrophobicContact CG-CE2 3.76Å; K811-Y813 HydrophobicContact CB-CD2 4.41Å; K811-Y813 PolarHBondContact O-N 2.84Å; K811-Y813 VanDerWaalsContact O-N 3.09Å; Y813-G815 VanDerWaalsContact C-N 3.3Å; Y813-G815 PolarHBondContact O-N 2.97Å; Y813-W846 HydrophobicContact CD1-CZ2 4.28Å; Y813-W846 PolarHBondContact O-NE1 2.92Å; Y813-H850 AromaticContact CD1-CD2 3.87Å; Y813-H850 AromaticContact CD1-CE1 3.48Å; Y813-H850 VanDerWaalsContact CD1-CE1 3.48Å; Y813-H850 WeakPolarHBondContact CD1-CE1 3.31Å; Y813-H850 AromaticContact CD1-NE2 3.24Å; Y813-H850 WeakPolarHBondContact CD1-NE2 3.32Å; Y813-H850 AromaticContact CE1-CD2 3.98Å; Y813-H850 AromaticContact CE1-NE2 3.37Å; Y813-H850 WeakPolarHBondContact CE1-NE2 3.19Å; Y813-H850 AromaticContact CG-CE1 3.57Å; Y813-H850 AromaticContact CG-NE2 3.74Å; Y813-H850 AromaticContact CZ-NE2 3.98Å
814	D	77.3	Confident	75.8	Confident	50 Å²	50	69 Å²	69	27%	0.267	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-74.8	-17.1	-178.7	-102.2	-1	0	0	0	113.6	R810 K811 T812 R847	R810-D814 HydrophobicContact CB-CB 4.13Å; R810-D814 VanDerWaalsContact CD-OD2 3.22Å; R810-D814 WeakPolarHBondContact CD-OD2 3.39Å; R810-D814 WeakPolarHBondContact CG-OD2 3.39Å; R810-D814 IonicContact CZ-OD2 2.63Å; R810-D814 IonicContact NE-OD2 3.05Å; R810-D814 IonicContact NH1-OD2 2.62Å; R810-D814 PolarHBondContact NH1-OD2 3.07Å; K811-D814 PolarHBondContact O-N 2.88Å; T812-D814 PolarHBondContact O-N 2.9Å; D814-R847 IonicContact OD1-CZ 3.56Å; D814-R847 IonicContact OD1-NH1 3.15Å; D814-R847 PolarHBondContact OD1-NH1 3.09Å; D814-R847 IonicContact OD1-NH2 2.68Å
815	G	78.4	Confident	75.6	Confident	4 Å²	4	68.1 Å²	68.1	4%	0.041	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.9	-11.3	-168.2	0	0	0	0	0	117	P804 T812 Y813 I817	P804-G815 WeakPolarHBondContact CD-O 3.27Å; T812-G815 PolarHBondContact O-N 2.89Å; Y813-G815 VanDerWaalsContact C-N 3.3Å; Y813-G815 PolarHBondContact O-N 2.97Å; G815-I817 WeakPolarHBondContact O-CG1 3.47Å; G815-I817 PolarHBondContact O-N 3.18Å
816	V	87.6	Confident	76.2	Confident	0 Å²	0	60 Å²	60	0%	0	29%	0.294	C	S	.	.			trans	-60.1	129.6	178.3	-176.4	0	0	0	0	111.1	F755 L763 L775 V801 L803 T812 F842	F755-V816 HydrophobicContact CE1-CG1 4.48Å; L763-V816 HydrophobicContact CD2-CB 4.46Å; L763-V816 HydrophobicContact CD2-CG2 3.42Å; L763-V816 VanDerWaalsContact CD2-CG2 3.42Å; L775-V816 HydrophobicContact CD1-CG2 4.12Å; V801-V816 HydrophobicContact CG1-CG1 4.07Å; L803-V816 HydrophobicContact CD2-CB 4.5Å; L803-V816 HydrophobicContact CD2-CG2 3.92Å; T812-V816 HydrophobicContact CG2-CG2 3.65Å; T812-V816 WeakPolarHBondContact O-CG2 3.46Å; T812-V816 PolarHBondContact O-N 3.27Å; V816-F842 VanDerWaalsContact O-CE1 3.29Å; V816-F842 WeakPolarHBondContact O-CE1 3.36Å
817	I	90.2	Very high	77.1	Confident	17 Å²	17	58.9 Å²	58.9	9%	0.087	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	126.4	168.9	-38.4	-176.2	0	0	0	109	E802 G815 T819 K839 F842 L843	E802-I817 HydrophobicContact CB-CB 4.46Å; E802-I817 PolarHBondContact N-O 3.26Å; E802-I817 PolarHBondContact O-N 3.49Å; G815-I817 WeakPolarHBondContact O-CG1 3.47Å; G815-I817 PolarHBondContact O-N 3.18Å; I817-T819 HydrophobicContact CB-CG2 3.99Å; I817-T819 HydrophobicContact CG2-CG2 3.52Å; I817-K839 HydrophobicContact CG2-CB 4.38Å; I817-K839 HydrophobicContact CG2-CG 4.17Å; I817-F842 HydrophobicContact CB-CD1 4.36Å; I817-F842 HydrophobicContact CG2-CB 4.08Å; I817-F842 HydrophobicContact CG2-CD1 3.78Å; I817-F842 HydrophobicContact CG2-CG 3.97Å; I817-L843 HydrophobicContact CD1-CD1 3.91Å; I817-L843 HydrophobicContact CD1-CD2 4.22Å; I817-L843 HydrophobicContact CD1-CG 4.09Å; I817-L843 HydrophobicContact CG1-CD1 4.49Å; I817-L843 HydrophobicContact CG1-CD2 3.9Å; I817-L843 HydrophobicContact CG1-CG 4.16Å
818	I	91.5	Very high	78.1	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	111.3	167.2	-54.7	177.1	0	0	0	107.4	V743 F751 F755 V779 L799 I800 F842	V743-I818 HydrophobicContact CG1-CG2 4.11Å; F751-I818 HydrophobicContact CE1-CD1 4.06Å; F751-I818 HydrophobicContact CZ-CD1 3.96Å; F755-I818 HydrophobicContact CD1-CD1 4.35Å; F755-I818 HydrophobicContact CE1-CD1 4.15Å; F755-I818 HydrophobicContact CZ-CD1 4.49Å; V779-I818 HydrophobicContact CG2-CD1 3.93Å; V779-I818 HydrophobicContact CG2-CG1 4.48Å; L799-I818 HydrophobicContact CD2-CG2 3.93Å; I800-I818 CarbonylContact O-C 3.59Å; I800-I818 WeakPolarHBondContact O-CA 3.45Å; I818-F842 HydrophobicContact CB-CD2 4.32Å; I818-F842 HydrophobicContact CB-CE2 3.61Å; I818-F842 HydrophobicContact CB-CZ 3.88Å; I818-F842 HydrophobicContact CD1-CE2 4.3Å; I818-F842 HydrophobicContact CD1-CZ 4.15Å; I818-F842 HydrophobicContact CG1-CE2 3.99Å; I818-F842 HydrophobicContact CG1-CZ 3.78Å
819	T	89.6	Confident	79.2	Confident	7 Å²	7	50.5 Å²	50.5	4%	0.043	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	178.8	-176.3	72	0	0	0	0	110.1	I800 E802 I817 K839	I800-T819 PolarHBondContact N-O 3.17Å; I800-T819 PolarHBondContact O-N 3.37Å; E802-T819 HydrophobicContact CB-CG2 4.37Å; E802-T819 VanDerWaalsContact CD-CG2 3.49Å; E802-T819 HydrophobicContact CG-CG2 4.02Å; E802-T819 WeakPolarHBondContact OE1-CB 3.43Å; E802-T819 VanDerWaalsContact OE1-CG2 3.29Å; E802-T819 WeakPolarHBondContact OE1-CG2 3.36Å; E802-T819 PolarHBondContact OE1-OG1 3.36Å; I817-T819 HydrophobicContact CB-CG2 3.99Å; I817-T819 HydrophobicContact CG2-CG2 3.52Å; T819-K839 HydrophobicContact CG2-CD 4.17Å; T819-K839 HydrophobicContact CG2-CG 3.83Å
820	Y	88.6	Confident	80.3	Confident	27 Å²	27	45 Å²	45	11%	0.106	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	146.6	-177	57.8	-106.3	0	0	0	113.3	F736 I744 W798 V822 L830 P835 Y838	F736-Y820 HydrophobicContact CE2-CD2 4.43Å; F736-Y820 HydrophobicContact CE2-CG 4.4Å; F736-Y820 HydrophobicContact CZ-CD1 4.49Å; F736-Y820 HydrophobicContact CZ-CD2 4.08Å; F736-Y820 HydrophobicContact CZ-CE2 4.29Å; F736-Y820 HydrophobicContact CZ-CG 4.17Å; I744-Y820 HydrophobicContact CD1-CD1 3.98Å; W798-Y820 CarbonylContact O-C 3.57Å; W798-Y820 WeakPolarHBondContact O-CA 3.44Å; W798-Y820 WeakPolarHBondContact O-CB 3.44Å; Y820-V822 HydrophobicContact CD2-CG2 3.25Å; Y820-V822 HydrophobicContact CE2-CG2 3.32Å; Y820-V822 HydrophobicContact CG-CG2 4.49Å; Y820-L830 HydrophobicContact CE2-CD1 4.02Å; Y820-P835 HydrophobicContact CE2-CG 4.49Å; Y820-Y838 AromaticContact CE1-CD2 3.52Å; Y820-Y838 HydrophobicContact CE1-CD2 3.52Å; Y820-Y838 HydrophobicContact CE1-CE2 4.14Å; Y820-Y838 HydrophobicContact CE1-CG 4.01Å; Y820-Y838 AromaticContact CZ-CD2 3.88Å; Y820-Y838 WeakPolarHBondContact OH-CD2 3.49Å
821	K	84.2	Confident	80.7	Confident	139 Å²	139	41.6 Å²	41.6	60%	0.604	20%	0.2	S	C	*	.			trans	-108.5	104.1	168.8	-166.5	-177.1	-175.5	179.6	0	109.3	W798 I800	W798-K821 PolarHBondContact O-N 3.28Å; I800-K821 HydrophobicContact CD1-CB 3.76Å; I800-K821 HydrophobicContact CD1-CD 4.27Å; I800-K821 HydrophobicContact CD1-CG 4.19Å; I800-K821 HydrophobicContact CG1-CB 4.08Å
822	V	75.2	Confident	80.7	Confident	27 Å²	27	41.7 Å²	41.7	16%	0.164	21%	0.21	C	C	.	.			trans	-84.6	138.8	179.8	-153.1	0	0	0	0	110.8	F736 Y820 I826 Y827 L830	F736-V822 HydrophobicContact CE2-CG1 4.48Å; F736-V822 HydrophobicContact CE2-CG2 4.45Å; F736-V822 HydrophobicContact CZ-CG2 4.27Å; Y820-V822 HydrophobicContact CD2-CG2 3.25Å; Y820-V822 HydrophobicContact CE2-CG2 3.32Å; Y820-V822 HydrophobicContact CG-CG2 4.49Å; V822-I826 HydrophobicContact CG1-CB 3.43Å; V822-I826 VanDerWaalsContact CG1-CB 3.43Å; V822-I826 HydrophobicContact CG1-CG2 3.48Å; V822-I826 VanDerWaalsContact CG1-CG2 3.48Å; V822-Y827 HydrophobicContact CB-CD2 4.43Å; V822-Y827 HydrophobicContact CG2-CD2 4.23Å; V822-L830 HydrophobicContact CG1-CD1 4.43Å; V822-L830 HydrophobicContact CG2-CD1 3.93Å
823	P	73.6	Confident	80.9	Confident	46 Å²	46	43 Å²	43	30%	0.299	22%	0.223	S	C	.	.			trans	-55.6	142.1	155.2	-23.8	35	0	0	0	111	P825 I826 Y827	P823-P825 VanDerWaalsContact C-N 3.26Å; P823-P825 VanDerWaalsContact O-N 3.08Å; P823-I826 PolarHBondContact O-N 3.13Å; P823-Y827 PolarHBondContact O-N 3.3Å
824	K	72.6	Confident	81.2	Confident	185 Å²	185	42.1 Å²	42.1	80%	0.804	22%	0.22	S	C	*	.	H	α-helix	trans	-45.7	-40.1	178.1	-67.8	-175.8	178.4	-176.6	0	114.6	Y827	K824-Y827 WeakPolarHBondContact O-CB 3.32Å; K824-Y827 PolarHBondContact O-N 3.18Å
825	P	73.8	Confident	81.7	Confident	16 Å²	16	41 Å²	41	10%	0.104	22%	0.216	C	C	.	.	H	α-helix	trans	-50	-61.6	175.7	-32.9	39.4	0	0	0	114.3	Y670 I674 F731 P823 Y827 T828	Y670-P825 WeakPolarHBondContact CE2-O 3.47Å; I674-P825 HydrophobicContact CB-CG 4.42Å; I674-P825 HydrophobicContact CD1-CB 3.8Å; I674-P825 HydrophobicContact CD1-CG 4.09Å; I674-P825 HydrophobicContact CG1-CB 4.25Å; I674-P825 HydrophobicContact CG1-CG 3.97Å; I674-P825 HydrophobicContact CG2-CB 4.1Å; I674-P825 HydrophobicContact CG2-CG 3.7Å; F731-P825 HydrophobicContact CD1-CB 3.96Å; F731-P825 HydrophobicContact CD1-CG 4.05Å; F731-P825 HydrophobicContact CD2-CB 3.82Å; F731-P825 HydrophobicContact CD2-CG 4.44Å; F731-P825 HydrophobicContact CE1-CB 3.93Å; F731-P825 HydrophobicContact CE1-CG 3.57Å; F731-P825 HydrophobicContact CE2-CB 3.78Å; F731-P825 HydrophobicContact CE2-CG 3.99Å; F731-P825 HydrophobicContact CG-CB 3.93Å; F731-P825 HydrophobicContact CG-CG 4.48Å; F731-P825 HydrophobicContact CZ-CB 3.85Å; F731-P825 HydrophobicContact CZ-CG 3.54Å; P823-P825 VanDerWaalsContact C-N 3.26Å; P823-P825 VanDerWaalsContact O-N 3.08Å; P825-Y827 PolarHBondContact O-N 3Å; P825-T828 PolarHBondContact O-N 3.43Å; P825-T828 PolarHBondContact O-OG1 3.36Å
826	I	79.3	Confident	82.1	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.7	-27.7	-178.5	-66.6	162.9	0	0	0	111.3	F731 F733 F736 V822 P823 T828 V829 L830	F731-I826 HydrophobicContact CB-CD1 3.94Å; F731-I826 HydrophobicContact CB-CG1 3.99Å; F733-I826 HydrophobicContact CD2-CB 4.41Å; F733-I826 HydrophobicContact CD2-CD1 4.49Å; F733-I826 HydrophobicContact CD2-CG1 4.15Å; F733-I826 HydrophobicContact CD2-CG2 3.48Å; F733-I826 VanDerWaalsContact CD2-CG2 3.48Å; F733-I826 HydrophobicContact CE2-CG2 3.65Å; F736-I826 HydrophobicContact CB-CD1 4.21Å; F736-I826 HydrophobicContact CD1-CG2 3.97Å; F736-I826 HydrophobicContact CE1-CG2 4.17Å; F736-I826 HydrophobicContact CG-CD1 4.44Å; F736-I826 HydrophobicContact CG-CG2 4.31Å; V822-I826 HydrophobicContact CG1-CB 3.43Å; V822-I826 VanDerWaalsContact CG1-CB 3.43Å; V822-I826 HydrophobicContact CG1-CG2 3.48Å; V822-I826 VanDerWaalsContact CG1-CG2 3.48Å; P823-I826 PolarHBondContact O-N 3.13Å; I826-T828 PolarHBondContact O-N 2.8Å; I826-V829 WeakPolarHBondContact O-CB 3.12Å; I826-V829 PolarHBondContact O-N 3.07Å; I826-L830 HydrophobicContact CG2-CD1 4.26Å; I826-L830 HydrophobicContact CG2-CG 4.36Å; I826-L830 PolarHBondContact O-N 3.04Å
827	Y	80.8	Confident	82.3	Confident	115 Å²	115	47.8 Å²	47.8	45%	0.451	25%	0.25	S	C	.	.	H	α-helix	trans	-59.5	-30.7	-179.2	-172.5	-91.6	0	0	0	113.1	V822 P823 K824 P825 V829 L830 P835	V822-Y827 HydrophobicContact CB-CD2 4.43Å; V822-Y827 HydrophobicContact CG2-CD2 4.23Å; P823-Y827 PolarHBondContact O-N 3.3Å; K824-Y827 WeakPolarHBondContact O-CB 3.32Å; K824-Y827 PolarHBondContact O-N 3.18Å; P825-Y827 PolarHBondContact O-N 3Å; Y827-V829 VanDerWaalsContact C-N 3.34Å; Y827-L830 PolarHBondContact O-N 3.18Å; Y827-P835 HydrophobicContact CE2-CG 4.39Å
828	T	77.3	Confident	82.4	Confident	77 Å²	77	47.1 Å²	47.1	47%	0.472	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-19	177.1	65.6	0	0	0	0	114.2	Y670 P825 I826	Y670-T828 VanDerWaalsContact CD2-OG1 3.29Å; Y670-T828 WeakPolarHBondContact CD2-OG1 3.49Å; Y670-T828 WeakPolarHBondContact CE2-OG1 3.44Å; P825-T828 PolarHBondContact O-N 3.43Å; P825-T828 PolarHBondContact O-OG1 3.36Å; I826-T828 PolarHBondContact O-N 2.8Å
829	V	76.6	Confident	82.4	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-30.6	175.1	-167.7	0	0	0	0	110.6	M727 F733 I826 Y827 F922 V925 V926	M727-V829 HydrophobicContact SD-CG1 4.13Å; M727-V829 HydrophobicContact SD-CG2 3.82Å; F733-V829 HydrophobicContact CE1-CG1 4.12Å; F733-V829 HydrophobicContact CE2-CB 4.46Å; F733-V829 HydrophobicContact CE2-CG1 4.29Å; F733-V829 HydrophobicContact CZ-CB 4.49Å; F733-V829 HydrophobicContact CZ-CG1 3.86Å; I826-V829 WeakPolarHBondContact O-CB 3.12Å; I826-V829 PolarHBondContact O-N 3.07Å; Y827-V829 VanDerWaalsContact C-N 3.34Å; V829-F922 HydrophobicContact CB-CZ 4.45Å; V829-F922 HydrophobicContact CG2-CE2 3.73Å; V829-F922 HydrophobicContact CG2-CZ 3.88Å; V829-V925 HydrophobicContact CG1-CG1 3.78Å; V829-V926 HydrophobicContact CG1-CG2 4.29Å
830	L	78.5	Confident	82.4	Confident	6 Å²	6	56.1 Å²	56.1	3%	0.031	28%	0.281	C	S	.	.	S	Bend	trans	-81.7	136.8	178.3	-60.2	174.1	0	0	0	109.8	F733 F736 Y820 V822 I826 Y827	F733-L830 HydrophobicContact CE2-CD2 4.14Å; F733-L830 HydrophobicContact CZ-CD2 4.4Å; F736-L830 HydrophobicContact CE1-CD1 3.86Å; F736-L830 HydrophobicContact CE1-CD2 4.18Å; F736-L830 HydrophobicContact CZ-CD1 3.98Å; Y820-L830 HydrophobicContact CE2-CD1 4.02Å; V822-L830 HydrophobicContact CG1-CD1 4.43Å; V822-L830 HydrophobicContact CG2-CD1 3.93Å; I826-L830 HydrophobicContact CG2-CD1 4.26Å; I826-L830 HydrophobicContact CG2-CG 4.36Å; I826-L830 PolarHBondContact O-N 3.04Å; Y827-L830 PolarHBondContact O-N 3.18Å
831	D	77.8	Confident	82.6	Confident	44 Å²	44	54.9 Å²	54.9	24%	0.235	28%	0.276	C	S	.	.			trans	-60	140.2	173.5	-171	85.9	0	0	0	111.5	G833 A834 R930	D831-G833 PolarHBondContact O-N 2.71Å; D831-G833 VanDerWaalsContact O-N 3.09Å; D831-G833 PolarHBondContact OD2-N 3.04Å; D831-A834 HydrophobicContact CB-CB 4.33Å; D831-A834 WeakPolarHBondContact O-CB 3.47Å; D831-A834 PolarHBondContact O-N 3.25Å; D831-R930 HydrophobicContact CB-CG 4.11Å; D831-R930 IonicContact OD1-CZ 4Å; D831-R930 IonicContact OD1-NE 3.05Å; D831-R930 PolarHBondContact OD1-NE 3.18Å; D831-R930 IonicContact OD1-NH2 2.98Å; D831-R930 PolarHBondContact OD1-NH2 3.01Å
832	P	80	Confident	83	Confident	97 Å²	97	48.3 Å²	48.3	63%	0.63	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-25.9	179	-28.1	36.4	0	0	0	115
833	G	83.8	Confident	83.7	Confident	26 Å²	26	50.1 Å²	50.1	27%	0.268	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-22.5	172.9	0	0	0	0	0	114.2	D831 P835 L836 D837	D831-G833 PolarHBondContact O-N 2.71Å; D831-G833 VanDerWaalsContact O-N 3.09Å; D831-G833 PolarHBondContact OD2-N 3.04Å; G833-P835 VanDerWaalsContact C-CD 3.45Å; G833-L836 WeakPolarHBondContact O-CB 3.45Å; G833-L836 PolarHBondContact O-N 2.94Å; G833-D837 PolarHBondContact O-N 2.89Å
834	A	88.8	Confident	84.6	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-55.2	-39.6	-170.2	0	0	0	0	0	115.5	D831 L836 D837 Y838 L933	D831-A834 HydrophobicContact CB-CB 4.33Å; D831-A834 WeakPolarHBondContact O-CB 3.47Å; D831-A834 PolarHBondContact O-N 3.25Å; A834-L836 PolarHBondContact O-N 3.1Å; A834-D837 PolarHBondContact O-N 3.03Å; A834-Y838 HydrophobicContact CB-CD2 4.23Å; A834-Y838 HydrophobicContact CB-CE2 4.22Å; A834-Y838 WeakPolarHBondContact O-CB 3.43Å; A834-Y838 WeakPolarHBondContact O-CD2 3.19Å; A834-Y838 PolarHBondContact O-N 2.96Å; A834-L933 HydrophobicContact CB-CD2 3.66Å
835	P	87.1	Confident	85.6	Confident	28 Å²	28	40.4 Å²	40.4	18%	0.182	21%	0.209	C	C	.	.	H	α-helix	trans	-59.6	-32.6	176.5	-23.9	34.6	0	0	0	113.3	Y820 Y827 G833 K839	Y820-P835 HydrophobicContact CE2-CG 4.49Å; Y827-P835 HydrophobicContact CE2-CG 4.39Å; G833-P835 VanDerWaalsContact C-CD 3.45Å; P835-K839 WeakPolarHBondContact O-CG 3.3Å; P835-K839 PolarHBondContact O-N 3.19Å
836	L	87.5	Confident	86.4	Confident	103 Å²	103	39.9 Å²	39.9	54%	0.539	21%	0.205	S	C	.	.	H	α-helix	trans	-75.2	-40.6	178.5	-63.8	175.8	0	0	0	111.5	G833 A834 K839 R840	G833-L836 WeakPolarHBondContact O-CB 3.45Å; G833-L836 PolarHBondContact O-N 2.94Å; A834-L836 PolarHBondContact O-N 3.1Å; L836-K839 PolarHBondContact O-N 3.24Å; L836-R840 WeakPolarHBondContact O-CG 3.29Å; L836-R840 PolarHBondContact O-N 3.29Å
837	D	90.8	Very high	87	Confident	42 Å²	42	42.4 Å²	42.4	23%	0.225	22%	0.215	C	C	.	.	H	α-helix	trans	-72.7	-34.9	178.9	-69.9	-39.5	0	0	0	112.6	G833 A834 K839 R840 L841 L933 T937	G833-D837 PolarHBondContact O-N 2.89Å; A834-D837 PolarHBondContact O-N 3.03Å; D837-K839 VanDerWaalsContact C-N 3.34Å; D837-K839 PolarHBondContact O-N 2.81Å; D837-R840 PolarHBondContact O-N 3.07Å; D837-R840 WeakPolarHBondContact OD1-CD 3.09Å; D837-R840 IonicContact OD1-CZ 2.61Å; D837-R840 IonicContact OD1-NE 2.71Å; D837-R840 IonicContact OD1-NH1 2.72Å; D837-R840 PolarHBondContact OD1-NH1 3.36Å; D837-L841 WeakPolarHBondContact O-CB 3.09Å; D837-L841 VanDerWaalsContact O-CG 3.25Å; D837-L841 WeakPolarHBondContact O-CG 3.3Å; D837-L841 PolarHBondContact O-N 3.49Å; D837-L933 HydrophobicContact CB-CD1 4.06Å; D837-L933 HydrophobicContact CB-CD2 4.15Å; D837-L933 HydrophobicContact CB-CG 4.32Å; D837-T937 HydrophobicContact CB-CG2 4.13Å
838	Y	93.1	Very high	87.6	Confident	3 Å²	3	37 Å²	37	1%	0.012	19%	0.194	C	C	.	.	H	α-helix	trans	-63.9	-35.2	168.4	-76.4	-58	0	0	0	112.9	V740 I744 L745 Y820 A834 L841 F842 H929 F932 L933	V740-Y838 HydrophobicContact CG1-CD1 4.05Å; V740-Y838 HydrophobicContact CG1-CE1 3.44Å; V740-Y838 VanDerWaalsContact CG1-CE1 3.44Å; V740-Y838 HydrophobicContact CG1-CE2 4.43Å; I744-Y838 HydrophobicContact CG2-CD1 4.44Å; L745-Y838 HydrophobicContact CD1-CE1 4.49Å; L745-Y838 HydrophobicContact CD2-CD1 4.11Å; L745-Y838 HydrophobicContact CD2-CE1 4.31Å; Y820-Y838 AromaticContact CE1-CD2 3.52Å; Y820-Y838 HydrophobicContact CE1-CD2 3.52Å; Y820-Y838 HydrophobicContact CE1-CE2 4.14Å; Y820-Y838 HydrophobicContact CE1-CG 4.01Å; Y820-Y838 AromaticContact CZ-CD2 3.88Å; Y820-Y838 WeakPolarHBondContact OH-CD2 3.49Å; A834-Y838 HydrophobicContact CB-CD2 4.23Å; A834-Y838 HydrophobicContact CB-CE2 4.22Å; A834-Y838 WeakPolarHBondContact O-CB 3.43Å; A834-Y838 WeakPolarHBondContact O-CD2 3.19Å; A834-Y838 PolarHBondContact O-N 2.96Å; Y838-L841 HydrophobicContact CD1-CD1 4.17Å; Y838-L841 PolarHBondContact O-N 3.36Å; Y838-F842 WeakPolarHBondContact O-CB 3.29Å; Y838-F842 PolarHBondContact O-N 2.95Å; Y838-H929 AromaticContact CE2-NE2 3.67Å; Y838-H929 AromaticContact CZ-NE2 3.64Å; Y838-H929 PolarHBondContact OH-NE2 2.97Å; Y838-F932 HydrophobicContact CE1-CE1 4.36Å; Y838-L933 HydrophobicContact CD1-CD1 4.18Å; Y838-L933 HydrophobicContact CE1-CD1 4.04Å; Y838-L933 HydrophobicContact CE2-CD1 4.46Å; Y838-L933 HydrophobicContact CG-CD1 4.44Å
839	K	90.3	Very high	88.2	Confident	56 Å²	56	35.2 Å²	35.2	24%	0.243	18%	0.178	C	C	.	.	H	α-helix	trans	-65.7	-41.8	172.3	-72	174.8	-167.4	-151.2	0	112.1	E802 I817 T819 P835 L836 D837 F842 L843	E802-K839 WeakPolarHBondContact OE1-CE 3.3Å; E802-K839 IonicContact OE1-NZ 2.73Å; E802-K839 PolarHBondContact OE1-NZ 2.71Å; E802-K839 IonicContact OE2-NZ 2.82Å; E802-K839 PolarHBondContact OE2-NZ 3.38Å; I817-K839 HydrophobicContact CG2-CB 4.38Å; I817-K839 HydrophobicContact CG2-CG 4.17Å; T819-K839 HydrophobicContact CG2-CD 4.17Å; T819-K839 HydrophobicContact CG2-CG 3.83Å; P835-K839 WeakPolarHBondContact O-CG 3.3Å; P835-K839 PolarHBondContact O-N 3.19Å; L836-K839 PolarHBondContact O-N 3.24Å; D837-K839 VanDerWaalsContact C-N 3.34Å; D837-K839 PolarHBondContact O-N 2.81Å; K839-F842 PolarHBondContact O-N 3.28Å; K839-L843 PolarHBondContact O-N 2.64Å; K839-L843 VanDerWaalsContact O-N 3.08Å
840	R	89.6	Confident	88.9	Confident	142 Å²	142	35.9 Å²	35.9	54%	0.536	18%	0.181	S	C	.	.	H	α-helix	trans	-62.5	-44	174.6	-69.5	162.3	174.1	166.3	-1.6	111.8	L836 D837 F844 L942	L836-R840 WeakPolarHBondContact O-CG 3.29Å; L836-R840 PolarHBondContact O-N 3.29Å; D837-R840 PolarHBondContact O-N 3.07Å; D837-R840 WeakPolarHBondContact OD1-CD 3.09Å; D837-R840 IonicContact OD1-CZ 2.61Å; D837-R840 IonicContact OD1-NE 2.71Å; D837-R840 IonicContact OD1-NH1 2.72Å; D837-R840 PolarHBondContact OD1-NH1 3.36Å; R840-F844 PolarHBondContact O-N 2.83Å; R840-L942 HydrophobicContact CB-CD1 4.28Å
841	L	93.1	Very high	89.5	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-62.2	-46.1	175	-76.3	165.7	0	0	0	111.9	L745 D837 Y838 F844 L845 L933 I936 T937 L940 L942	L745-L841 HydrophobicContact CD2-CB 4.05Å; L745-L841 HydrophobicContact CD2-CD1 4.06Å; D837-L841 WeakPolarHBondContact O-CB 3.09Å; D837-L841 VanDerWaalsContact O-CG 3.25Å; D837-L841 WeakPolarHBondContact O-CG 3.3Å; D837-L841 PolarHBondContact O-N 3.49Å; Y838-L841 HydrophobicContact CD1-CD1 4.17Å; Y838-L841 PolarHBondContact O-N 3.36Å; L841-F844 PolarHBondContact O-N 3.37Å; L841-L845 WeakPolarHBondContact O-CB 3.23Å; L841-L845 VanDerWaalsContact O-CG 3.29Å; L841-L845 WeakPolarHBondContact O-CG 3.13Å; L841-L845 PolarHBondContact O-N 3.47Å; L841-L933 HydrophobicContact CD1-CD1 3.78Å; L841-I936 HydrophobicContact CD1-CG2 4.24Å; L841-I936 HydrophobicContact CD2-CG2 3.69Å; L841-T937 HydrophobicContact CD1-CG2 3.86Å; L841-T937 HydrophobicContact CD2-CG2 4.23Å; L841-T937 HydrophobicContact CG-CG2 4.04Å; L841-L940 HydrophobicContact CD2-CD1 3.74Å; L841-L942 HydrophobicContact CD2-CD1 3.66Å; L841-L942 HydrophobicContact CG-CD1 3.95Å
842	F	93.5	Very high	90.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-55.9	-55.1	176.6	-174.2	-80.1	0	0	0	110.7	I744 L746 V816 I817 I818 Y838 K839 F844 L845 W846	I744-F842 VanDerWaalsContact O-CD2 3.26Å; I744-F842 WeakPolarHBondContact O-CD2 3.29Å; L746-F842 HydrophobicContact CD2-CE2 4.17Å; L746-F842 HydrophobicContact CG-CE2 4.37Å; V816-F842 VanDerWaalsContact O-CE1 3.29Å; V816-F842 WeakPolarHBondContact O-CE1 3.36Å; I817-F842 HydrophobicContact CB-CD1 4.36Å; I817-F842 HydrophobicContact CG2-CB 4.08Å; I817-F842 HydrophobicContact CG2-CD1 3.78Å; I817-F842 HydrophobicContact CG2-CG 3.97Å; I818-F842 HydrophobicContact CB-CD2 4.32Å; I818-F842 HydrophobicContact CB-CE2 3.61Å; I818-F842 HydrophobicContact CB-CZ 3.88Å; I818-F842 HydrophobicContact CD1-CE2 4.3Å; I818-F842 HydrophobicContact CD1-CZ 4.15Å; I818-F842 HydrophobicContact CG1-CE2 3.99Å; I818-F842 HydrophobicContact CG1-CZ 3.78Å; Y838-F842 WeakPolarHBondContact O-CB 3.29Å; Y838-F842 PolarHBondContact O-N 2.95Å; K839-F842 PolarHBondContact O-N 3.28Å; F842-F844 VanDerWaalsContact C-N 3.31Å; F842-F844 PolarHBondContact O-N 2.85Å; F842-L845 PolarHBondContact O-N 3.01Å; F842-W846 HydrophobicContact CD1-CB 4.09Å; F842-W846 HydrophobicContact CE1-CB 3.83Å; F842-W846 AromaticContact CE1-CD2 3.95Å; F842-W846 HydrophobicContact CE1-CD2 3.95Å; F842-W846 AromaticContact CE1-CE3 3.92Å; F842-W846 HydrophobicContact CE1-CE3 3.92Å; F842-W846 AromaticContact CE1-CG 3.92Å; F842-W846 HydrophobicContact CE1-CG 3.92Å; F842-W846 HydrophobicContact CZ-CB 4.48Å; F842-W846 HydrophobicContact CZ-CD2 4.22Å; F842-W846 AromaticContact CZ-CE3 3.7Å; F842-W846 HydrophobicContact CZ-CE3 3.7Å; F842-W846 HydrophobicContact CZ-CZ3 4.37Å; F842-W846 WeakPolarHBondContact O-CB 3.43Å; F842-W846 PolarHBondContact O-N 3.42Å
843	L	90.1	Very high	90.8	Very high	65 Å²	65	31.9 Å²	31.9	34%	0.34	15%	0.152	S	C	.	.	H	α-helix	trans	-57.7	-40.9	-177.9	-76.4	169.8	0	0	0	112.9	I817 K839 R847	I817-L843 HydrophobicContact CD1-CD1 3.91Å; I817-L843 HydrophobicContact CD1-CD2 4.22Å; I817-L843 HydrophobicContact CD1-CG 4.09Å; I817-L843 HydrophobicContact CG1-CD1 4.49Å; I817-L843 HydrophobicContact CG1-CD2 3.9Å; I817-L843 HydrophobicContact CG1-CG 4.16Å; K839-L843 PolarHBondContact O-N 2.64Å; K839-L843 VanDerWaalsContact O-N 3.08Å; L843-R847 WeakPolarHBondContact O-CB 3.41Å; L843-R847 PolarHBondContact O-N 2.92Å
844	F	91.2	Very high	91.2	Very high	27 Å²	27	32.1 Å²	32.1	12%	0.118	15%	0.147	C	C	.	.	H	α-helix	trans	-66.1	-51.4	177	174.6	-106.2	0	0	0	112.4	R840 L841 F842 W846 R847 L848 L940 F941 L942 L953	R840-F844 PolarHBondContact O-N 2.83Å; L841-F844 PolarHBondContact O-N 3.37Å; F842-F844 VanDerWaalsContact C-N 3.31Å; F842-F844 PolarHBondContact O-N 2.85Å; F844-W846 VanDerWaalsContact C-N 3.33Å; F844-W846 PolarHBondContact O-N 3.39Å; F844-R847 PolarHBondContact O-N 3.3Å; F844-L848 PolarHBondContact O-N 2.95Å; F844-L940 HydrophobicContact CD1-CB 4.23Å; F844-L940 HydrophobicContact CD1-CD1 4.41Å; F844-L940 HydrophobicContact CE1-CB 3.92Å; F844-L940 HydrophobicContact CE1-CD1 4.44Å; F844-L940 HydrophobicContact CE1-CD2 4.36Å; F844-L940 HydrophobicContact CE1-CG 4.46Å; F844-F941 HydrophobicContact CZ-CD2 4.3Å; F844-L942 HydrophobicContact CB-CD1 4.3Å; F844-L942 HydrophobicContact CB-CD2 4.28Å; F844-L942 HydrophobicContact CD2-CD2 4.46Å; F844-L942 HydrophobicContact CG-CD2 4.26Å; F844-L953 HydrophobicContact CE2-CD2 3.63Å; F844-L953 HydrophobicContact CE2-CG 4.37Å; F844-L953 HydrophobicContact CZ-CD2 3.67Å
845	L	93.7	Very high	91.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-66.8	-35.2	-179	-68.1	168.2	0	0	0	112	L745 L746 L841 F842 R849 A900 F901 I905 L940	L745-L845 HydrophobicContact CB-CD1 4.38Å; L745-L845 HydrophobicContact CD2-CD1 4.16Å; L746-L845 HydrophobicContact CD1-CB 4.13Å; L841-L845 WeakPolarHBondContact O-CB 3.23Å; L841-L845 VanDerWaalsContact O-CG 3.29Å; L841-L845 WeakPolarHBondContact O-CG 3.13Å; L841-L845 PolarHBondContact O-N 3.47Å; F842-L845 PolarHBondContact O-N 3.01Å; L845-R849 VanDerWaalsContact O-CB 3.29Å; L845-R849 WeakPolarHBondContact O-CB 2.99Å; L845-R849 WeakPolarHBondContact O-CG 3.41Å; L845-R849 PolarHBondContact O-N 3.38Å; L845-A900 HydrophobicContact CD2-CB 4.18Å; L845-F901 HydrophobicContact CB-CZ 4.29Å; L845-F901 HydrophobicContact CD2-CE1 4.43Å; L845-F901 HydrophobicContact CD2-CE2 4.18Å; L845-F901 HydrophobicContact CD2-CZ 3.9Å; L845-I905 HydrophobicContact CD1-CD1 3.63Å; L845-I905 HydrophobicContact CD2-CD1 3.81Å; L845-I905 HydrophobicContact CG-CD1 4.39Å; L845-L940 HydrophobicContact CD1-CD1 4.33Å; L845-L940 HydrophobicContact CD2-CD1 3.89Å; L845-L940 HydrophobicContact CG-CD1 4.28Å
846	W	92.2	Very high	91.6	Very high	5 Å²	5	37 Å²	37	2%	0.019	16%	0.163	C	C	.	.	H	α-helix	trans	-62.5	-51.4	173.9	176.3	-98.2	0	0	0	111.1	L746 F752 F755 I756 L763 Y813 F842 F844 L848 R849 H850	L746-W846 HydrophobicContact CD1-CB 4.12Å; L746-W846 HydrophobicContact CD1-CE3 4.29Å; F752-W846 AromaticContact CD2-CE3 3.96Å; F752-W846 HydrophobicContact CD2-CE3 3.96Å; F752-W846 AromaticContact CD2-CZ3 3.77Å; F752-W846 HydrophobicContact CD2-CZ3 3.77Å; F752-W846 HydrophobicContact CE2-CD2 4.29Å; F752-W846 AromaticContact CE2-CE3 3.6Å; F752-W846 HydrophobicContact CE2-CE3 3.6Å; F752-W846 HydrophobicContact CE2-CH2 4.26Å; F752-W846 AromaticContact CE2-CZ3 3.58Å; F752-W846 HydrophobicContact CE2-CZ3 3.58Å; F755-W846 AromaticContact CD1-CH2 3.73Å; F755-W846 HydrophobicContact CD1-CH2 3.73Å; F755-W846 AromaticContact CD1-CZ3 3.86Å; F755-W846 HydrophobicContact CD1-CZ3 3.86Å; F755-W846 AromaticContact CE1-CH2 3.63Å; F755-W846 HydrophobicContact CE1-CH2 3.63Å; F755-W846 AromaticContact CE1-CZ3 4Å; F755-W846 HydrophobicContact CE1-CZ3 4Å; I756-W846 HydrophobicContact CD1-CH2 4.19Å; I756-W846 HydrophobicContact CG1-CH2 3.95Å; L763-W846 HydrophobicContact CD1-CH2 4.49Å; Y813-W846 HydrophobicContact CD1-CZ2 4.28Å; Y813-W846 PolarHBondContact O-NE1 2.92Å; F842-W846 HydrophobicContact CD1-CB 4.09Å; F842-W846 HydrophobicContact CE1-CB 3.83Å; F842-W846 AromaticContact CE1-CD2 3.95Å; F842-W846 HydrophobicContact CE1-CD2 3.95Å; F842-W846 AromaticContact CE1-CE3 3.92Å; F842-W846 HydrophobicContact CE1-CE3 3.92Å; F842-W846 AromaticContact CE1-CG 3.92Å; F842-W846 HydrophobicContact CE1-CG 3.92Å; F842-W846 HydrophobicContact CZ-CB 4.48Å; F842-W846 HydrophobicContact CZ-CD2 4.22Å; F842-W846 AromaticContact CZ-CE3 3.7Å; F842-W846 HydrophobicContact CZ-CE3 3.7Å; F842-W846 HydrophobicContact CZ-CZ3 4.37Å; F842-W846 WeakPolarHBondContact O-CB 3.43Å; F842-W846 PolarHBondContact O-N 3.42Å; F844-W846 VanDerWaalsContact C-N 3.33Å; F844-W846 PolarHBondContact O-N 3.39Å; W846-L848 VanDerWaalsContact C-N 3.32Å; W846-L848 PolarHBondContact O-N 3.39Å; W846-R849 PolarHBondContact O-N 2.82Å; W846-H850 VanDerWaalsContact O-CB 3.24Å; W846-H850 WeakPolarHBondContact O-CB 3.44Å; W846-H850 PolarHBondContact O-N 3.43Å
847	R	91.7	Very high	91.8	Very high	54 Å²	54	35.4 Å²	35.4	20%	0.204	15%	0.153	C	C	.	.	H	α-helix	trans	-59	-42.5	177.5	-167.3	174.7	-163.5	71.2	1.9	111.7	D814 L843 F844 A851 L957 D958 F961	D814-R847 IonicContact OD1-CZ 3.56Å; D814-R847 IonicContact OD1-NH1 3.15Å; D814-R847 PolarHBondContact OD1-NH1 3.09Å; D814-R847 IonicContact OD1-NH2 2.68Å; L843-R847 WeakPolarHBondContact O-CB 3.41Å; L843-R847 PolarHBondContact O-N 2.92Å; F844-R847 PolarHBondContact O-N 3.3Å; R847-A851 PolarHBondContact O-N 2.93Å; R847-A851 VanDerWaalsContact O-N 3.16Å; R847-L957 HydrophobicContact CG-CD1 4.39Å; R847-D958 IonicContact CZ-OD1 3.91Å; R847-D958 IonicContact NE-OD1 2.69Å; R847-D958 PolarHBondContact NE-OD1 3.2Å; R847-D958 IonicContact NH2-OD1 3.66Å; R847-D958 PolarHBondContact NH2-OD1 3.37Å; R847-F961 HydrophobicContact CG-CE2 3.65Å; R847-F961 HydrophobicContact CG-CZ 4.04Å
848	L	92.2	Very high	91.8	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	14%	0.142	C	C	.	.	H	α-helix	trans	-67.2	-44.6	177.7	-178.7	62.3	0	0	0	112.9	F844 W846 H850 A851 D852 V893 L896 V897 A900 L957	F844-L848 PolarHBondContact O-N 2.95Å; W846-L848 VanDerWaalsContact C-N 3.32Å; W846-L848 PolarHBondContact O-N 3.39Å; L848-H850 VanDerWaalsContact C-N 3.35Å; L848-A851 PolarHBondContact O-N 3.31Å; L848-D852 PolarHBondContact O-N 3.45Å; L848-V893 HydrophobicContact CD1-CG1 4.35Å; L848-L896 HydrophobicContact CD1-CB 4.04Å; L848-L896 HydrophobicContact CD1-CD1 4.45Å; L848-L896 HydrophobicContact CD2-CB 4.37Å; L848-V897 HydrophobicContact CD1-CG2 4.22Å; L848-V897 HydrophobicContact CD2-CG2 4.22Å; L848-V897 HydrophobicContact CG-CG2 3.83Å; L848-A900 HydrophobicContact CD2-CB 4.17Å; L848-L957 HydrophobicContact CD1-CD2 4.22Å
849	R	91.3	Very high	91.8	Very high	39 Å²	39	35.5 Å²	35.5	15%	0.147	16%	0.155	C	C	.	.	H	α-helix	trans	-65.9	-35.9	175.7	-81	-71.3	-165.7	-171.1	-0.7	112.8	L746 F752 L845 W846 D852 Y853 F901	L746-R849 HydrophobicContact CD1-CG 4.39Å; F752-R849 HydrophobicContact CD1-CB 4.36Å; F752-R849 HydrophobicContact CD2-CB 4.27Å; F752-R849 HydrophobicContact CE1-CB 3.8Å; F752-R849 HydrophobicContact CE2-CB 3.69Å; F752-R849 HydrophobicContact CZ-CB 3.43Å; F752-R849 VanDerWaalsContact CZ-CB 3.43Å; L845-R849 VanDerWaalsContact O-CB 3.29Å; L845-R849 WeakPolarHBondContact O-CB 2.99Å; L845-R849 WeakPolarHBondContact O-CG 3.41Å; L845-R849 PolarHBondContact O-N 3.38Å; W846-R849 PolarHBondContact O-N 2.82Å; R849-D852 PolarHBondContact O-N 2.89Å; R849-Y853 WeakPolarHBondContact O-CB 3.15Å; R849-Y853 PolarHBondContact O-N 3.07Å; R849-F901 HydrophobicContact CG-CE2 3.73Å; R849-F901 HydrophobicContact CG-CZ 3.55Å
850	H	90.4	Very high	91.8	Very high	14 Å²	14	40.2 Å²	40.2	7%	0.065	17%	0.172	C	C	.	.	H	α-helix	trans	-65.1	-42	177.4	-171.8	-140	0	0	0	111.3	Y813 W846 L848 Y853 L854 F961	Y813-H850 AromaticContact CD1-CD2 3.87Å; Y813-H850 AromaticContact CD1-CE1 3.48Å; Y813-H850 VanDerWaalsContact CD1-CE1 3.48Å; Y813-H850 WeakPolarHBondContact CD1-CE1 3.31Å; Y813-H850 AromaticContact CD1-NE2 3.24Å; Y813-H850 WeakPolarHBondContact CD1-NE2 3.32Å; Y813-H850 AromaticContact CE1-CD2 3.98Å; Y813-H850 AromaticContact CE1-NE2 3.37Å; Y813-H850 WeakPolarHBondContact CE1-NE2 3.19Å; Y813-H850 AromaticContact CG-CE1 3.57Å; Y813-H850 AromaticContact CG-NE2 3.74Å; Y813-H850 AromaticContact CZ-NE2 3.98Å; W846-H850 VanDerWaalsContact O-CB 3.24Å; W846-H850 WeakPolarHBondContact O-CB 3.44Å; W846-H850 PolarHBondContact O-N 3.43Å; L848-H850 VanDerWaalsContact C-N 3.35Å; H850-Y853 PolarHBondContact O-N 3.36Å; H850-L854 WeakPolarHBondContact O-CB 3.2Å; H850-L854 WeakPolarHBondContact O-CG 3.41Å; H850-L854 PolarHBondContact O-N 3.46Å; H850-F961 HydrophobicContact CB-CZ 4.5Å; H850-F961 AromaticContact ND1-CE1 3.64Å
851	A	92.2	Very high	91.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.6	-45.1	173.1	0	0	0	0	0	112.6	R847 L848 Y853 L854 M855 V893 L957 V960 F961	R847-A851 PolarHBondContact O-N 2.93Å; R847-A851 VanDerWaalsContact O-N 3.16Å; L848-A851 PolarHBondContact O-N 3.31Å; A851-Y853 PolarHBondContact O-N 3.29Å; A851-L854 PolarHBondContact O-N 3.06Å; A851-M855 VanDerWaalsContact O-CB 3.29Å; A851-M855 WeakPolarHBondContact O-CB 3.34Å; A851-M855 VanDerWaalsContact O-CG 3.26Å; A851-M855 WeakPolarHBondContact O-CG 3.35Å; A851-M855 PolarHBondContact O-N 3.37Å; A851-V893 HydrophobicContact CB-CG1 4.29Å; A851-L957 HydrophobicContact CB-CD2 4Å; A851-V960 HydrophobicContact CB-CG1 4.38Å; A851-F961 HydrophobicContact CB-CE1 4.29Å; A851-F961 HydrophobicContact CB-CZ 4Å
852	D	92.8	Very high	91.7	Very high	27 Å²	27	34.7 Å²	34.7	14%	0.144	15%	0.152	C	C	.	.	H	α-helix	trans	-61	-42.9	177.1	-175.1	36	0	0	0	112.4	L848 R849 Y856 V893 K894 V897	L848-D852 PolarHBondContact O-N 3.45Å; R849-D852 PolarHBondContact O-N 2.89Å; D852-Y856 WeakPolarHBondContact O-CB 3.42Å; D852-Y856 PolarHBondContact O-N 3.47Å; D852-V893 HydrophobicContact CB-CG1 3.86Å; D852-K894 WeakPolarHBondContact OD1-CE 3.47Å; D852-K894 WeakPolarHBondContact OD1-CG 3.46Å; D852-K894 IonicContact OD1-NZ 3.93Å; D852-V897 HydrophobicContact CB-CG2 4.08Å
853	Y	92.4	Very high	91.5	Very high	36 Å²	36	37.5 Å²	37.5	14%	0.141	17%	0.172	C	C	.	.	H	α-helix	trans	-66	-47.8	177.6	178.3	-94.2	0	0	0	112.7	T753 I756 R849 H850 A851 Y856 Q857	T753-Y853 HydrophobicContact CG2-CE2 4.27Å; I756-Y853 HydrophobicContact CG2-CD1 4.09Å; I756-Y853 HydrophobicContact CG2-CE1 3.5Å; R849-Y853 WeakPolarHBondContact O-CB 3.15Å; R849-Y853 PolarHBondContact O-N 3.07Å; H850-Y853 PolarHBondContact O-N 3.36Å; A851-Y853 PolarHBondContact O-N 3.29Å; Y853-Y856 WeakPolarHBondContact O-CB 3.34Å; Y853-Y856 PolarHBondContact O-N 2.92Å; Y853-Q857 HydrophobicContact CD1-CG 4.49Å; Y853-Q857 VanDerWaalsContact CE1-CD 3.42Å; Y853-Q857 HydrophobicContact CE1-CG 4.12Å; Y853-Q857 PolarHBondContact O-N 3.49Å; Y853-Q857 PolarHBondContact OH-NE2 3.45Å; Y853-Q857 VanDerWaalsContact OH-NE2 3.09Å
854	L	91.8	Very high	91.3	Very high	30 Å²	30	39.2 Å²	39.2	16%	0.157	17%	0.174	C	C	.	.	H	α-helix	trans	-67.1	-40.2	178.3	-70.1	-175.8	0	0	0	111.9	H850 A851 Y856 Q857 L858 F961 I964	H850-L854 WeakPolarHBondContact O-CB 3.2Å; H850-L854 WeakPolarHBondContact O-CG 3.41Å; H850-L854 PolarHBondContact O-N 3.46Å; A851-L854 PolarHBondContact O-N 3.06Å; L854-Y856 VanDerWaalsContact C-N 3.28Å; L854-Y856 PolarHBondContact O-N 3.27Å; L854-Q857 PolarHBondContact O-N 3.14Å; L854-L858 WeakPolarHBondContact O-CB 3.25Å; L854-L858 PolarHBondContact O-N 2.8Å; L854-F961 HydrophobicContact CD1-CD1 4.31Å; L854-F961 HydrophobicContact CD1-CE1 4.16Å; L854-I964 HydrophobicContact CB-CD1 3.83Å; L854-I964 HydrophobicContact CB-CG2 4.12Å; L854-I964 HydrophobicContact CD1-CD1 4.44Å; L854-I964 HydrophobicContact CD1-CG2 4.1Å
855	M	93.1	Very high	91.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.8	-37	172.7	-75.5	-56.8	-55.9	0	0	111.9	A851 L858 V859 Y886 V889 T890 V960 I964	A851-M855 VanDerWaalsContact O-CB 3.29Å; A851-M855 WeakPolarHBondContact O-CB 3.34Å; A851-M855 VanDerWaalsContact O-CG 3.26Å; A851-M855 WeakPolarHBondContact O-CG 3.35Å; A851-M855 PolarHBondContact O-N 3.37Å; M855-L858 HydrophobicContact SD-CD2 4.36Å; M855-V859 WeakPolarHBondContact O-CB 3.38Å; M855-V859 VanDerWaalsContact O-CG2 3.24Å; M855-V859 WeakPolarHBondContact O-CG2 3.42Å; M855-V859 PolarHBondContact O-N 2.96Å; M855-Y886 HydrophobicContact CE-CD1 4.11Å; M855-Y886 HydrophobicContact CE-CG 4.35Å; M855-V889 HydrophobicContact CE-CB 4.08Å; M855-V889 HydrophobicContact CE-CG1 3.78Å; M855-V889 HydrophobicContact CG-CG1 4.24Å; M855-V889 HydrophobicContact SD-CG1 3.84Å; M855-T890 WeakPolarHBondContact CE-OG1 3.42Å; M855-V960 HydrophobicContact CG-CG1 4.28Å; M855-V960 HydrophobicContact SD-CG1 4.25Å; M855-I964 HydrophobicContact CG-CD1 4.13Å; M855-I964 HydrophobicContact SD-CD1 3.94Å; M855-I964 HydrophobicContact SD-CG1 3.73Å
856	Y	92	Very high	90.7	Very high	131 Å²	131	43.1 Å²	43.1	51%	0.514	19%	0.193	S	C	.	.	H	α-helix	trans	-64.5	-44.3	173.3	174.4	-99.1	0	0	0	112.5	D852 Y853 L854 Y860	D852-Y856 WeakPolarHBondContact O-CB 3.42Å; D852-Y856 PolarHBondContact O-N 3.47Å; Y853-Y856 WeakPolarHBondContact O-CB 3.34Å; Y853-Y856 PolarHBondContact O-N 2.92Å; L854-Y856 VanDerWaalsContact C-N 3.28Å; L854-Y856 PolarHBondContact O-N 3.27Å; Y856-Y860 WeakPolarHBondContact O-CB 3.31Å; Y856-Y860 PolarHBondContact O-N 3.44Å; Y856-Y860 VanDerWaalsContact O-N 3.1Å
857	Q	91.2	Very high	90.3	Very high	69 Å²	69	49.1 Å²	49.1	32%	0.322	22%	0.224	S	C	.	.	H	α-helix	trans	-63.1	-45.3	176	-70.9	-169.8	-38.9	0	0	112.2	Y853 L854 Y860 K861	Y853-Q857 HydrophobicContact CD1-CG 4.49Å; Y853-Q857 VanDerWaalsContact CE1-CD 3.42Å; Y853-Q857 HydrophobicContact CE1-CG 4.12Å; Y853-Q857 PolarHBondContact O-N 3.49Å; Y853-Q857 PolarHBondContact OH-NE2 3.45Å; Y853-Q857 VanDerWaalsContact OH-NE2 3.09Å; L854-Q857 PolarHBondContact O-N 3.14Å; Q857-Y860 WeakPolarHBondContact O-CB 3.37Å; Q857-Y860 PolarHBondContact O-N 3.07Å; Q857-K861 PolarHBondContact O-N 3.4Å
858	L	91.3	Very high	89.9	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-62.8	-48.4	179.9	-175.5	65.2	0	0	0	111.5	L854 M855 Y860 K861 H862 Y886 I964	L854-L858 WeakPolarHBondContact O-CB 3.25Å; L854-L858 PolarHBondContact O-N 2.8Å; M855-L858 HydrophobicContact SD-CD2 4.36Å; L858-Y860 PolarHBondContact O-N 2.84Å; L858-K861 PolarHBondContact O-N 3.29Å; L858-H862 VanDerWaalsContact O-CB 3.28Å; L858-H862 WeakPolarHBondContact O-CB 3.49Å; L858-H862 PolarHBondContact O-N 2.87Å; L858-Y886 HydrophobicContact CD2-CD1 4.3Å; L858-Y886 HydrophobicContact CD2-CE1 3.55Å; L858-Y886 HydrophobicContact CD2-CE2 4.33Å; L858-Y886 HydrophobicContact CG-CE1 4.13Å; L858-Y886 HydrophobicContact CG-CE2 4.02Å; L858-I964 HydrophobicContact CD2-CG1 4.12Å
859	V	91.9	Very high	89.5	Confident	47 Å²	47	51.2 Å²	51.2	29%	0.285	24%	0.236	S	C	.	.	H	α-helix	trans	-59.5	-36	175.4	168.7	0	0	0	0	111.5	M855 S863 Y886	M855-V859 WeakPolarHBondContact O-CB 3.38Å; M855-V859 VanDerWaalsContact O-CG2 3.24Å; M855-V859 WeakPolarHBondContact O-CG2 3.42Å; M855-V859 PolarHBondContact O-N 2.96Å; V859-S863 VanDerWaalsContact O-CB 3.22Å; V859-S863 WeakPolarHBondContact O-CB 3.04Å; V859-S863 PolarHBondContact O-N 2.88Å; V859-S863 PolarHBondContact O-OG 2.69Å; V859-Y886 HydrophobicContact CG2-CD2 4Å; V859-Y886 HydrophobicContact CG2-CG 4.22Å
860	Y	90.9	Very high	89.1	Confident	154 Å²	154	54.1 Å²	54.1	60%	0.604	26%	0.262	S	S	*	.	H	α-helix	trans	-68.5	-45	174.9	-178.4	-94.6	0	0	0	112.6	Y856 Q857 L858 S863 R864	Y856-Y860 WeakPolarHBondContact O-CB 3.31Å; Y856-Y860 PolarHBondContact O-N 3.44Å; Y856-Y860 VanDerWaalsContact O-N 3.1Å; Q857-Y860 WeakPolarHBondContact O-CB 3.37Å; Q857-Y860 PolarHBondContact O-N 3.07Å; L858-Y860 PolarHBondContact O-N 2.84Å; Y860-S863 PolarHBondContact O-N 3.24Å; Y860-R864 PolarHBondContact O-N 2.97Å; Y860-R864 VanDerWaalsContact O-N 3.08Å
861	K	89.9	Confident	88.6	Confident	24 Å²	24	55.5 Å²	55.5	10%	0.104	27%	0.272	C	S	.	.	H	α-helix	trans	-60.2	-51.7	177	-169.9	-174.5	-175.9	-169.5	0	111.1	Q857 L858 S863 R864 I865 N968 D971 D972 E975	Q857-K861 PolarHBondContact O-N 3.4Å; L858-K861 PolarHBondContact O-N 3.29Å; K861-S863 VanDerWaalsContact C-N 3.35Å; K861-S863 PolarHBondContact O-N 3.5Å; K861-R864 WeakPolarHBondContact O-CB 3.26Å; K861-R864 PolarHBondContact O-N 2.66Å; K861-R864 VanDerWaalsContact O-N 3.09Å; K861-I865 HydrophobicContact CG-CD1 4.19Å; K861-I865 PolarHBondContact O-N 3.16Å; K861-N968 PolarHBondContact NZ-O 2.89Å; K861-D971 HydrophobicContact CD-CB 3.62Å; K861-D971 HydrophobicContact CG-CB 4.22Å; K861-D972 IonicContact NZ-OD1 2.81Å; K861-D972 PolarHBondContact NZ-OD1 2.89Å; K861-D972 IonicContact NZ-OD2 3.82Å; K861-D972 PolarHBondContact NZ-OD2 3.43Å; K861-E975 WeakPolarHBondContact CE-OE2 3.42Å
862	H	89.8	Confident	88.2	Confident	4 Å²	4	55.5 Å²	55.5	2%	0.019	27%	0.272	C	S	.	.	H	α-helix	trans	-59.9	-40.1	177.8	-176.1	90.1	0	0	0	113.2	L858 R864 I865 Q866 H879 S883 Y886 D971	L858-H862 VanDerWaalsContact O-CB 3.28Å; L858-H862 WeakPolarHBondContact O-CB 3.49Å; L858-H862 PolarHBondContact O-N 2.87Å; H862-R864 VanDerWaalsContact C-N 3.32Å; H862-R864 PolarHBondContact O-N 3.15Å; H862-I865 PolarHBondContact O-N 3.49Å; H862-Q866 PolarHBondContact O-N 3.1Å; H862-H879 AromaticContact CD2-CE1 3.55Å; H862-H879 AromaticContact CD2-NE2 3.68Å; H862-H879 AromaticContact CE1-CD2 3.28Å; H862-H879 PolarHBondContact CE1-CD2 3.39Å; H862-H879 AromaticContact CE1-CE1 3.35Å; H862-H879 PolarHBondContact CE1-CE1 3.05Å; H862-H879 AromaticContact CE1-CG 3.65Å; H862-H879 AromaticContact CE1-ND1 3.72Å; H862-H879 AromaticContact CE1-NE2 3.09Å; H862-H879 PolarHBondContact CE1-NE2 3.19Å; H862-H879 PolarHBondContact CE1-O 2.61Å; H862-H879 AromaticContact CG-CE1 3.92Å; H862-H879 AromaticContact CG-NE2 3.56Å; H862-H879 AromaticContact ND1-CD2 3.61Å; H862-H879 AromaticContact ND1-CE1 3.82Å; H862-H879 AromaticContact ND1-NE2 3.21Å; H862-H879 PolarHBondContact ND1-NE2 3.18Å; H862-H879 AromaticContact NE2-CD2 3.91Å; H862-H879 AromaticContact NE2-CE1 3.15Å; H862-H879 PolarHBondContact NE2-CE1 3.2Å; H862-H879 AromaticContact NE2-ND1 3.6Å; H862-H879 AromaticContact NE2-NE2 3.38Å; H862-H879 PolarHBondContact NE2-NE2 2.85Å; H862-H879 PolarHBondContact NE2-O 3.07Å; H862-H879 PolarHBondContact O-NE2 2.74Å; H862-S883 PolarHBondContact NE2-OG 3.27Å; H862-Y886 HydrophobicContact CB-CD2 4.34Å; H862-Y886 HydrophobicContact CB-CE2 3.63Å; H862-Y886 AromaticContact CD2-CD2 3.96Å; H862-Y886 AromaticContact CD2-CE2 3.78Å; H862-Y886 AromaticContact CE1-CE2 3.92Å; H862-Y886 AromaticContact CG-CE2 3.43Å; H862-Y886 VanDerWaalsContact CG-CE2 3.43Å; H862-Y886 AromaticContact ND1-CE2 3.54Å; H862-D971 IonicContact ND1-OD1 2.72Å
863	S	88.9	Confident	87.8	Confident	58 Å²	58	57.6 Å²	57.6	41%	0.406	29%	0.287	S	S	.	.	H	α-helix	trans	-66	-33.2	175.4	-61.5	0	0	0	0	112.7	V859 Y860 K861 Q866	V859-S863 VanDerWaalsContact O-CB 3.22Å; V859-S863 WeakPolarHBondContact O-CB 3.04Å; V859-S863 PolarHBondContact O-N 2.88Å; V859-S863 PolarHBondContact O-OG 2.69Å; Y860-S863 PolarHBondContact O-N 3.24Å; K861-S863 VanDerWaalsContact C-N 3.35Å; K861-S863 PolarHBondContact O-N 3.5Å; S863-Q866 WeakPolarHBondContact O-CB 3.48Å
864	R	87	Confident	87.4	Confident	102 Å²	102	60.1 Å²	60.1	39%	0.385	30%	0.3	S	S	.	.	H	α-helix	trans	-71.1	-43.3	174	177.2	178.3	58.5	120.5	6.2	111.3	Y860 K861 H862 Q866 L867 E975	Y860-R864 PolarHBondContact O-N 2.97Å; Y860-R864 VanDerWaalsContact O-N 3.08Å; K861-R864 WeakPolarHBondContact O-CB 3.26Å; K861-R864 PolarHBondContact O-N 2.66Å; K861-R864 VanDerWaalsContact O-N 3.09Å; H862-R864 VanDerWaalsContact C-N 3.32Å; H862-R864 PolarHBondContact O-N 3.15Å; R864-Q866 VanDerWaalsContact C-N 3.26Å; R864-Q866 PolarHBondContact O-N 3.12Å; R864-L867 WeakPolarHBondContact O-CB 3.35Å; R864-L867 PolarHBondContact O-N 3.42Å; R864-L867 VanDerWaalsContact O-N 3.17Å; R864-E975 IonicContact CZ-OE1 3.77Å; R864-E975 IonicContact CZ-OE2 2.77Å; R864-E975 IonicContact NH1-OE1 2.74Å; R864-E975 PolarHBondContact NH1-OE1 2.94Å; R864-E975 IonicContact NH1-OE2 2.82Å; R864-E975 IonicContact NH2-OE1 3.81Å; R864-E975 PolarHBondContact NH2-OE1 3.42Å; R864-E975 IonicContact NH2-OE2 3.66Å; R864-E975 PolarHBondContact NH2-OE2 3.31Å
865	I	86.5	Confident	87.2	Confident	6 Å²	6	58.9 Å²	58.9	3%	0.031	29%	0.294	C	S	.	.	H	α-helix	trans	-58.9	-39.5	174.1	-71.5	166	0	0	0	110.9	K861 H862 L867 H868 L869 D971 L974 L978	K861-I865 HydrophobicContact CG-CD1 4.19Å; K861-I865 PolarHBondContact O-N 3.16Å; H862-I865 PolarHBondContact O-N 3.49Å; I865-L867 PolarHBondContact O-N 3.37Å; I865-L867 VanDerWaalsContact O-N 3.07Å; I865-H868 PolarHBondContact O-N 2.83Å; I865-L869 PolarHBondContact O-N 3.07Å; I865-L869 VanDerWaalsContact O-N 3.13Å; I865-D971 HydrophobicContact CD1-CB 3.54Å; I865-D971 WeakPolarHBondContact CD1-O 3.44Å; I865-L974 HydrophobicContact CG2-CB 4.24Å; I865-L974 HydrophobicContact CG2-CD1 3.98Å; I865-L978 HydrophobicContact CG2-CD1 3.94Å
866	Q	86.6	Confident	86.9	Confident	103 Å²	103	60.9 Å²	60.9	48%	0.481	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-24.6	178.1	-154.7	-175.2	-67.9	0	0	114.1	H862 S863 R864 H868	H862-Q866 PolarHBondContact O-N 3.1Å; S863-Q866 WeakPolarHBondContact O-CB 3.48Å; R864-Q866 VanDerWaalsContact C-N 3.26Å; R864-Q866 PolarHBondContact O-N 3.12Å; Q866-H868 VanDerWaalsContact C-N 3.29Å; Q866-H868 PolarHBondContact O-N 3.07Å
867	L	83.8	Confident	86.7	Confident	131 Å²	131	58.8 Å²	58.8	69%	0.686	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-24.1	178.5	-60.6	174	0	0	0	113.1	R864 I865	R864-L867 WeakPolarHBondContact O-CB 3.35Å; R864-L867 PolarHBondContact O-N 3.42Å; R864-L867 VanDerWaalsContact O-N 3.17Å; I865-L867 PolarHBondContact O-N 3.37Å; I865-L867 VanDerWaalsContact O-N 3.07Å
868	H	83	Confident	86.6	Confident	99 Å²	99	57 Å²	57	46%	0.458	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-15.4	-176	-61.2	-81.7	0	0	0	113.1	I865 Q866 S870 T871 L978	I865-H868 PolarHBondContact O-N 2.83Å; Q866-H868 VanDerWaalsContact C-N 3.29Å; Q866-H868 PolarHBondContact O-N 3.07Å; H868-S870 PolarHBondContact O-N 3.04Å; H868-T871 PolarHBondContact O-N 3.23Å; H868-T871 PolarHBondContact O-OG1 3.45Å; H868-L978 HydrophobicContact CB-CD1 4.16Å; H868-L978 HydrophobicContact CB-CD2 4.12Å
869	L	84.1	Confident	86.5	Confident	1 Å²	1	57 Å²	57	1%	0.005	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-63.9	-3.7	-175.3	-160.7	67.9	0	0	0	115	I865 T871 L872 I875 L876 H879 L974	I865-L869 PolarHBondContact O-N 3.07Å; I865-L869 VanDerWaalsContact O-N 3.13Å; L869-T871 PolarHBondContact O-N 3.48Å; L869-L872 HydrophobicContact CD1-CB 4.15Å; L869-L872 HydrophobicContact CD1-CD1 4.49Å; L869-L872 CarbonylContact O-C 3.56Å; L869-L872 PolarHBondContact O-N 2.77Å; L869-L872 VanDerWaalsContact O-N 3.07Å; L869-I875 HydrophobicContact CD1-CG2 4.49Å; L869-L876 HydrophobicContact CD2-CD1 4.06Å; L869-H879 HydrophobicContact CD2-CB 3.44Å; L869-H879 VanDerWaalsContact CD2-CB 3.44Å; L869-L974 HydrophobicContact CD1-CD1 4.37Å
870	S	81.1	Confident	86.3	Confident	99 Å²	99	62.1 Å²	62.1	69%	0.692	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-59.5	-20.5	170.8	45.5	0	0	0	0	113.9	H868 L872	H868-S870 PolarHBondContact O-N 3.04Å; S870-L872 VanDerWaalsContact C-N 3.34Å
871	T	80.3	Confident	86.2	Confident	43 Å²	43	59.8 Å²	59.8	26%	0.264	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-74.4	-20.9	174.4	55.4	0	0	0	0	113.6	H868 L869 P873 L978 I981 R1011	H868-T871 PolarHBondContact O-N 3.23Å; H868-T871 PolarHBondContact O-OG1 3.45Å; L869-T871 PolarHBondContact O-N 3.48Å; T871-P873 VanDerWaalsContact C-CD 3.42Å; T871-P873 WeakPolarHBondContact O-CD 3.2Å; T871-L978 WeakPolarHBondContact OG1-CD2 3.32Å; T871-I981 HydrophobicContact CG2-CG2 4.2Å; T871-R1011 PolarHBondContact O-NH1 3.45Å; T871-R1011 PolarHBondContact O-NH2 3.26Å
872	L	84	Confident	86.3	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.005	30%	0.298	C	S	.	.			trans	-124.2	64.5	-173.8	-63.5	174.7	0	0	0	111.8	L869 S870 E874 I875 L876 L978 I981 R1011 L1014	L869-L872 HydrophobicContact CD1-CB 4.15Å; L869-L872 HydrophobicContact CD1-CD1 4.49Å; L869-L872 CarbonylContact O-C 3.56Å; L869-L872 PolarHBondContact O-N 2.77Å; L869-L872 VanDerWaalsContact O-N 3.07Å; S870-L872 VanDerWaalsContact C-N 3.34Å; L872-E874 PolarHBondContact O-N 2.8Å; L872-E874 VanDerWaalsContact O-N 3.1Å; L872-I875 HydrophobicContact CB-CD1 4.41Å; L872-I875 HydrophobicContact CD1-CD1 4.23Å; L872-I875 PolarHBondContact O-N 3.18Å; L872-I875 VanDerWaalsContact O-N 3.13Å; L872-L876 PolarHBondContact O-N 3.34Å; L872-L978 HydrophobicContact CD1-CD2 4.22Å; L872-I981 HydrophobicContact CD1-CD1 4.17Å; L872-I981 HydrophobicContact CD2-CD1 4.06Å; L872-I981 HydrophobicContact CG-CD1 4.12Å; L872-R1011 HydrophobicContact CD2-CG 4.08Å; L872-L1014 HydrophobicContact CD1-CD2 3.93Å
873	P	84.1	Confident	86.3	Confident	71 Å²	71	60 Å²	60	46%	0.461	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-21.6	-177.3	24.7	-36.3	0	0	0	115	T871 I875 P877	T871-P873 VanDerWaalsContact C-CD 3.42Å; T871-P873 WeakPolarHBondContact O-CD 3.2Å; P873-I875 VanDerWaalsContact C-N 3.34Å; P873-P877 WeakPolarHBondContact O-CD 3.19Å
874	E	85.3	Confident	86.3	Confident	88 Å²	88	63 Å²	63	41%	0.411	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-28.9	178.8	-53.8	83.5	174.1	0	0	112.5	L872 P877 R1011 I1015	L872-E874 PolarHBondContact O-N 2.8Å; L872-E874 VanDerWaalsContact O-N 3.1Å; E874-P877 WeakPolarHBondContact O-CD 3.46Å; E874-R1011 VanDerWaalsContact CD-NH2 3.26Å; E874-R1011 IonicContact OE1-CZ 3.55Å; E874-R1011 IonicContact OE1-NE 3.32Å; E874-R1011 IonicContact OE1-NH2 2.75Å; E874-R1011 PolarHBondContact OE1-NH2 3.14Å; E874-R1011 IonicContact OE2-CZ 3.64Å; E874-R1011 IonicContact OE2-NE 3.11Å; E874-R1011 IonicContact OE2-NH2 2.95Å; E874-R1011 PolarHBondContact OE2-NH2 2.76Å; E874-I1015 HydrophobicContact CB-CD1 3.93Å; E874-I1015 HydrophobicContact CB-CG1 4.33Å; E874-I1015 HydrophobicContact CG-CD1 3.86Å
875	I	87.5	Confident	86.5	Confident	5 Å²	5	58.3 Å²	58.3	3%	0.026	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-25.8	-178.4	-57.1	-177.8	0	0	0	110.9	L869 L872 P873 P877 L878 H879 F970 L974 L1014 I1015	L869-I875 HydrophobicContact CD1-CG2 4.49Å; L872-I875 HydrophobicContact CB-CD1 4.41Å; L872-I875 HydrophobicContact CD1-CD1 4.23Å; L872-I875 PolarHBondContact O-N 3.18Å; L872-I875 VanDerWaalsContact O-N 3.13Å; P873-I875 VanDerWaalsContact C-N 3.34Å; I875-P877 VanDerWaalsContact C-N 3.34Å; I875-L878 WeakPolarHBondContact O-CB 3.29Å; I875-L878 PolarHBondContact O-N 2.99Å; I875-H879 PolarHBondContact O-N 2.76Å; I875-F970 HydrophobicContact CG2-CE2 4.43Å; I875-F970 HydrophobicContact CG2-CZ 3.93Å; I875-L974 HydrophobicContact CD1-CD2 3.76Å; I875-L974 HydrophobicContact CG2-CD1 4.41Å; I875-L974 HydrophobicContact CG2-CD2 4.17Å; I875-L1014 HydrophobicContact CD1-CD2 3.67Å; I875-L1014 HydrophobicContact CD1-CG 3.94Å; I875-I1015 HydrophobicContact CG1-CG1 4.46Å
876	L	85.9	Confident	86.9	Confident	42 Å²	42	58.1 Å²	58.1	22%	0.22	30%	0.3	C	S	.	.	H	α-helix	trans	-50.7	-36.9	-178.5	-174.1	61.4	0	0	0	115.3	L869 L872 R880	L869-L876 HydrophobicContact CD2-CD1 4.06Å; L872-L876 PolarHBondContact O-N 3.34Å; L876-R880 HydrophobicContact CD1-CG 4.42Å; L876-R880 WeakPolarHBondContact O-CB 2.95Å; L876-R880 WeakPolarHBondContact O-CD 3.29Å; L876-R880 WeakPolarHBondContact O-CG 3.23Å; L876-R880 PolarHBondContact O-N 2.9Å
877	P	88.8	Confident	87	Confident	86 Å²	86	60.7 Å²	60.7	56%	0.558	31%	0.31	S	S	*	.	H	α-helix	trans	-65.6	-38.5	174.3	-21.5	34.2	0	0	0	113.4	P873 E874 I875 R881	P873-P877 WeakPolarHBondContact O-CD 3.19Å; E874-P877 WeakPolarHBondContact O-CD 3.46Å; I875-P877 VanDerWaalsContact C-N 3.34Å; P877-R881 PolarHBondContact O-N 2.96Å; P877-R881 VanDerWaalsContact O-N 3.16Å
878	L	88.1	Confident	87.3	Confident	33 Å²	33	54.8 Å²	54.8	17%	0.173	28%	0.28	C	S	.	.	H	α-helix	trans	-72.5	-42.9	178.5	-170.8	66.7	0	0	0	110.8	I875 R880 R881 L882 V1018 F1022 A1023 L1026	I875-L878 WeakPolarHBondContact O-CB 3.29Å; I875-L878 PolarHBondContact O-N 2.99Å; L878-R880 VanDerWaalsContact C-N 3.32Å; L878-R880 PolarHBondContact O-N 3.35Å; L878-R881 WeakPolarHBondContact O-CB 3.42Å; L878-R881 PolarHBondContact O-N 3.47Å; L878-R881 VanDerWaalsContact O-N 3.13Å; L878-L882 PolarHBondContact O-N 2.85Å; L878-V1018 HydrophobicContact CD2-CG1 3.42Å; L878-V1018 VanDerWaalsContact CD2-CG1 3.42Å; L878-F1022 HydrophobicContact CD2-CD1 3.92Å; L878-F1022 HydrophobicContact CD2-CE1 4.33Å; L878-A1023 HydrophobicContact CD1-CB 4.27Å; L878-A1023 HydrophobicContact CD2-CB 4.12Å; L878-L1026 HydrophobicContact CD1-CD2 3.99Å; L878-L1026 HydrophobicContact CG-CD2 4.44Å
879	H	88.7	Confident	87.7	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58.2	-42.4	174.5	-174.1	-82	0	0	0	112	H862 L869 I875 L882 S883	H862-H879 AromaticContact CD2-CE1 3.55Å; H862-H879 AromaticContact CD2-NE2 3.68Å; H862-H879 AromaticContact CE1-CD2 3.28Å; H862-H879 PolarHBondContact CE1-CD2 3.39Å; H862-H879 AromaticContact CE1-CE1 3.35Å; H862-H879 PolarHBondContact CE1-CE1 3.05Å; H862-H879 AromaticContact CE1-CG 3.65Å; H862-H879 AromaticContact CE1-ND1 3.72Å; H862-H879 AromaticContact CE1-NE2 3.09Å; H862-H879 PolarHBondContact CE1-NE2 3.19Å; H862-H879 PolarHBondContact CE1-O 2.61Å; H862-H879 AromaticContact CG-CE1 3.92Å; H862-H879 AromaticContact CG-NE2 3.56Å; H862-H879 AromaticContact ND1-CD2 3.61Å; H862-H879 AromaticContact ND1-CE1 3.82Å; H862-H879 AromaticContact ND1-NE2 3.21Å; H862-H879 PolarHBondContact ND1-NE2 3.18Å; H862-H879 AromaticContact NE2-CD2 3.91Å; H862-H879 AromaticContact NE2-CE1 3.15Å; H862-H879 PolarHBondContact NE2-CE1 3.2Å; H862-H879 AromaticContact NE2-ND1 3.6Å; H862-H879 AromaticContact NE2-NE2 3.38Å; H862-H879 PolarHBondContact NE2-NE2 2.85Å; H862-H879 PolarHBondContact NE2-O 3.07Å; H862-H879 PolarHBondContact O-NE2 2.74Å; L869-H879 HydrophobicContact CD2-CB 3.44Å; L869-H879 VanDerWaalsContact CD2-CB 3.44Å; I875-H879 PolarHBondContact O-N 2.76Å; H879-L882 WeakPolarHBondContact O-CB 3.28Å; H879-L882 PolarHBondContact O-N 3.29Å; H879-S883 PolarHBondContact O-N 3.49Å; H879-S883 PolarHBondContact O-OG 3.44Å; H879-S883 VanDerWaalsContact O-OG 3.12Å
880	R	87.6	Confident	88.1	Confident	154 Å²	154	50.9 Å²	50.9	58%	0.581	26%	0.263	S	S	*	.	H	α-helix	trans	-62.9	-40.2	173.2	-74.5	169.2	178.9	-179.2	1.1	113.3	L876 L878 L882 S883 L884	L876-R880 HydrophobicContact CD1-CG 4.42Å; L876-R880 WeakPolarHBondContact O-CB 2.95Å; L876-R880 WeakPolarHBondContact O-CD 3.29Å; L876-R880 WeakPolarHBondContact O-CG 3.23Å; L876-R880 PolarHBondContact O-N 2.9Å; L878-R880 VanDerWaalsContact C-N 3.32Å; L878-R880 PolarHBondContact O-N 3.35Å; R880-L882 VanDerWaalsContact C-N 3.33Å; R880-S883 WeakPolarHBondContact O-CB 3.28Å; R880-S883 PolarHBondContact O-N 2.94Å; R880-L884 PolarHBondContact O-N 3.16Å
881	R	89.6	Confident	88.6	Confident	105 Å²	105	48.2 Å²	48.2	40%	0.396	24%	0.241	S	C	.	.	H	α-helix	trans	-62	-43.2	174	-178.2	177.8	179.1	153.3	-0.1	110.9	P877 L878 L884 L885 E1030	P877-R881 PolarHBondContact O-N 2.96Å; P877-R881 VanDerWaalsContact O-N 3.16Å; L878-R881 WeakPolarHBondContact O-CB 3.42Å; L878-R881 PolarHBondContact O-N 3.47Å; L878-R881 VanDerWaalsContact O-N 3.13Å; R881-L884 PolarHBondContact O-N 3.31Å; R881-L885 PolarHBondContact O-N 2.97Å; R881-L885 VanDerWaalsContact O-N 3.07Å; R881-E1030 IonicContact CZ-OE2 2.85Å; R881-E1030 IonicContact NE-OE2 3.9Å; R881-E1030 PolarHBondContact NE-OE2 3.45Å; R881-E1030 IonicContact NH2-OE2 2.68Å; R881-E1030 PolarHBondContact NH2-OE2 3.03Å
882	L	91.1	Very high	89.1	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63	-41.5	176.7	-171.1	59.1	0	0	0	111.9	L878 H879 R880 L884 L885 Y886 L963 F970 F1022 L1026	L878-L882 PolarHBondContact O-N 2.85Å; H879-L882 WeakPolarHBondContact O-CB 3.28Å; H879-L882 PolarHBondContact O-N 3.29Å; R880-L882 VanDerWaalsContact C-N 3.33Å; L882-L884 VanDerWaalsContact C-N 3.29Å; L882-L884 PolarHBondContact O-N 2.87Å; L882-L885 PolarHBondContact O-N 3.15Å; L882-Y886 HydrophobicContact CD1-CD1 4.06Å; L882-Y886 HydrophobicContact CD1-CE1 3.4Å; L882-Y886 VanDerWaalsContact CD1-CE1 3.4Å; L882-Y886 HydrophobicContact CD2-CE1 4.45Å; L882-Y886 WeakPolarHBondContact CD2-OH 3.3Å; L882-Y886 HydrophobicContact CG-CD1 4.35Å; L882-Y886 HydrophobicContact CG-CE1 3.71Å; L882-Y886 HydrophobicContact CG-CE2 4.02Å; L882-Y886 VanDerWaalsContact O-CG 3.31Å; L882-Y886 PolarHBondContact O-N 3.34Å; L882-L963 HydrophobicContact CD1-CD1 4.25Å; L882-F970 HydrophobicContact CD2-CD1 3.92Å; L882-F970 HydrophobicContact CD2-CE1 3.85Å; L882-F1022 HydrophobicContact CD2-CE1 4.14Å; L882-F1022 HydrophobicContact CD2-CZ 3.96Å; L882-L1026 HydrophobicContact CB-CD2 4.36Å; L882-L1026 HydrophobicContact CD1-CD1 3.68Å; L882-L1026 HydrophobicContact CD1-CD2 4.02Å
883	S	90.4	Very high	89.5	Confident	33 Å²	33	46.2 Å²	46.2	23%	0.231	23%	0.229	C	C	.	.	H	α-helix	trans	-56	-39.5	172.2	-57.6	0	0	0	0	113.3	H862 H879 R880 F887	H862-S883 PolarHBondContact NE2-OG 3.27Å; H879-S883 PolarHBondContact O-N 3.49Å; H879-S883 PolarHBondContact O-OG 3.44Å; H879-S883 VanDerWaalsContact O-OG 3.12Å; R880-S883 WeakPolarHBondContact O-CB 3.28Å; R880-S883 PolarHBondContact O-N 2.94Å; S883-F887 PolarHBondContact O-N 3.43Å; S883-F887 VanDerWaalsContact O-N 3.09Å
884	L	89.6	Confident	89.9	Confident	122 Å²	122	45.3 Å²	45.3	64%	0.639	22%	0.218	S	C	*	.	H	α-helix	trans	-72.4	-40.7	179	-67.1	173	0	0	0	111.9	R880 R881 L882 F887 S888	R880-L884 PolarHBondContact O-N 3.16Å; R881-L884 PolarHBondContact O-N 3.31Å; L882-L884 VanDerWaalsContact C-N 3.29Å; L882-L884 PolarHBondContact O-N 2.87Å; L884-F887 PolarHBondContact O-N 3.47Å; L884-S888 PolarHBondContact O-N 3.42Å; L884-S888 VanDerWaalsContact O-N 3.13Å
885	L	91.1	Very high	90.1	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-62.2	-47.3	174.4	-179	59	0	0	0	110.9	R881 L882 F887 S888 V889 L963 L1026 E1030 Y1033	R881-L885 PolarHBondContact O-N 2.97Å; R881-L885 VanDerWaalsContact O-N 3.07Å; L882-L885 PolarHBondContact O-N 3.15Å; L885-F887 VanDerWaalsContact C-N 3.29Å; L885-F887 PolarHBondContact O-N 3.33Å; L885-S888 PolarHBondContact O-N 2.94Å; L885-S888 VanDerWaalsContact O-N 3.14Å; L885-V889 HydrophobicContact CD1-CG2 4.04Å; L885-V889 HydrophobicContact CG-CG2 4.3Å; L885-V889 WeakPolarHBondContact O-CG2 3.44Å; L885-V889 PolarHBondContact O-N 2.86Å; L885-L963 HydrophobicContact CD2-CD1 3.79Å; L885-L963 HydrophobicContact CD2-CD2 4.02Å; L885-L963 HydrophobicContact CG-CD2 4.11Å; L885-L1026 HydrophobicContact CD2-CD1 3.73Å; L885-E1030 HydrophobicContact CD1-CG 4.16Å; L885-E1030 HydrophobicContact CD2-CB 4.13Å; L885-E1030 HydrophobicContact CD2-CG 4.46Å; L885-Y1033 HydrophobicContact CD1-CD1 3.94Å; L885-Y1033 HydrophobicContact CD1-CE1 4.42Å
886	Y	93.3	Very high	90.4	Very high	3 Å²	3	42.2 Å²	42.2	1%	0.012	20%	0.203	C	C	.	.	H	α-helix	trans	-56.5	-41.2	174.7	-70.3	-9	0	0	0	112.6	M855 L858 V859 H862 L882 T890 L963 S967	M855-Y886 HydrophobicContact CE-CD1 4.11Å; M855-Y886 HydrophobicContact CE-CG 4.35Å; L858-Y886 HydrophobicContact CD2-CD1 4.3Å; L858-Y886 HydrophobicContact CD2-CE1 3.55Å; L858-Y886 HydrophobicContact CD2-CE2 4.33Å; L858-Y886 HydrophobicContact CG-CE1 4.13Å; L858-Y886 HydrophobicContact CG-CE2 4.02Å; V859-Y886 HydrophobicContact CG2-CD2 4Å; V859-Y886 HydrophobicContact CG2-CG 4.22Å; H862-Y886 HydrophobicContact CB-CD2 4.34Å; H862-Y886 HydrophobicContact CB-CE2 3.63Å; H862-Y886 AromaticContact CD2-CD2 3.96Å; H862-Y886 AromaticContact CD2-CE2 3.78Å; H862-Y886 AromaticContact CE1-CE2 3.92Å; H862-Y886 AromaticContact CG-CE2 3.43Å; H862-Y886 VanDerWaalsContact CG-CE2 3.43Å; H862-Y886 AromaticContact ND1-CE2 3.54Å; L882-Y886 HydrophobicContact CD1-CD1 4.06Å; L882-Y886 HydrophobicContact CD1-CE1 3.4Å; L882-Y886 VanDerWaalsContact CD1-CE1 3.4Å; L882-Y886 HydrophobicContact CD2-CE1 4.45Å; L882-Y886 WeakPolarHBondContact CD2-OH 3.3Å; L882-Y886 HydrophobicContact CG-CD1 4.35Å; L882-Y886 HydrophobicContact CG-CE1 3.71Å; L882-Y886 HydrophobicContact CG-CE2 4.02Å; L882-Y886 VanDerWaalsContact O-CG 3.31Å; L882-Y886 PolarHBondContact O-N 3.34Å; Y886-T890 WeakPolarHBondContact O-CA 3.47Å; Y886-T890 WeakPolarHBondContact O-CB 3.49Å; Y886-T890 PolarHBondContact O-N 3.35Å; Y886-T890 PolarHBondContact O-OG1 3.32Å; Y886-L963 HydrophobicContact CD1-CD2 4.36Å; Y886-L963 HydrophobicContact CE1-CD1 4.46Å; Y886-L963 HydrophobicContact CE1-CG 4.46Å; Y886-S967 WeakPolarHBondContact OH-CB 3.19Å; Y886-S967 PolarHBondContact OH-OG 3.12Å
887	F	89.5	Confident	90.7	Very high	157 Å²	157	40.5 Å²	40.5	69%	0.689	19%	0.194	S	C	*	.	H	α-helix	trans	-61.5	-44.8	177	179.6	-96.8	0	0	0	111.6	S883 L884 L885 N891	S883-F887 PolarHBondContact O-N 3.43Å; S883-F887 VanDerWaalsContact O-N 3.09Å; L884-F887 PolarHBondContact O-N 3.47Å; L885-F887 VanDerWaalsContact C-N 3.29Å; L885-F887 PolarHBondContact O-N 3.33Å; F887-N891 WeakPolarHBondContact O-CB 3.45Å; F887-N891 PolarHBondContact O-N 2.95Å
888	S	90	Very high	90.8	Very high	6 Å²	6	42.4 Å²	42.4	4%	0.042	19%	0.191	C	C	.	.	H	α-helix	trans	-62.2	-52.8	177.2	-157.5	0	0	0	0	111.8	L884 L885 T890 N891 F892 Y1065	L884-S888 PolarHBondContact O-N 3.42Å; L884-S888 VanDerWaalsContact O-N 3.13Å; L885-S888 PolarHBondContact O-N 2.94Å; L885-S888 VanDerWaalsContact O-N 3.14Å; S888-T890 PolarHBondContact O-N 3.33Å; S888-N891 PolarHBondContact O-N 2.9Å; S888-F892 PolarHBondContact O-N 3.35Å; S888-Y1065 PolarHBondContact O-OH 2.95Å; S888-Y1065 PolarHBondContact OG-OH 3.21Å; S888-Y1065 VanDerWaalsContact OG-OH 3.1Å
889	V	92.6	Very high	91	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.7	-46.4	179.8	172.8	0	0	0	0	111.2	M855 L885 N891 F892 V893 V960 L963 Y1033	M855-V889 HydrophobicContact CE-CB 4.08Å; M855-V889 HydrophobicContact CE-CG1 3.78Å; M855-V889 HydrophobicContact CG-CG1 4.24Å; M855-V889 HydrophobicContact SD-CG1 3.84Å; L885-V889 HydrophobicContact CD1-CG2 4.04Å; L885-V889 HydrophobicContact CG-CG2 4.3Å; L885-V889 WeakPolarHBondContact O-CG2 3.44Å; L885-V889 PolarHBondContact O-N 2.86Å; V889-N891 VanDerWaalsContact C-N 3.33Å; V889-N891 PolarHBondContact O-N 3.03Å; V889-F892 PolarHBondContact O-N 2.94Å; V889-V893 HydrophobicContact CG1-CG2 4.36Å; V889-V893 WeakPolarHBondContact O-CG2 3.27Å; V889-V893 PolarHBondContact O-N 3.35Å; V889-V960 HydrophobicContact CG1-CB 4.45Å; V889-V960 HydrophobicContact CG1-CG1 3.96Å; V889-V960 HydrophobicContact CG1-CG2 3.63Å; V889-L963 HydrophobicContact CG2-CD2 3.93Å; V889-Y1033 HydrophobicContact CG2-CD1 4.14Å; V889-Y1033 HydrophobicContact CG2-CD2 4.08Å; V889-Y1033 HydrophobicContact CG2-CE1 3.84Å; V889-Y1033 HydrophobicContact CG2-CE2 3.79Å; V889-Y1033 HydrophobicContact CG2-CG 4.25Å
890	T	92.3	Very high	91.1	Very high	19 Å²	19	41.5 Å²	41.5	12%	0.117	19%	0.186	C	C	.	.	H	α-helix	trans	-64.1	-37.3	179.9	-60.6	0	0	0	0	111.7	M855 Y886 S888 K894	M855-T890 WeakPolarHBondContact CE-OG1 3.42Å; Y886-T890 WeakPolarHBondContact O-CA 3.47Å; Y886-T890 WeakPolarHBondContact O-CB 3.49Å; Y886-T890 PolarHBondContact O-N 3.35Å; Y886-T890 PolarHBondContact O-OG1 3.32Å; S888-T890 PolarHBondContact O-N 3.33Å; T890-K894 HydrophobicContact CG2-CD 3.86Å; T890-K894 VanDerWaalsContact O-CB 3.28Å; T890-K894 WeakPolarHBondContact O-CB 3.05Å; T890-K894 WeakPolarHBondContact O-CD 3.3Å; T890-K894 VanDerWaalsContact O-CG 3.23Å; T890-K894 WeakPolarHBondContact O-CG 3.48Å; T890-K894 PolarHBondContact O-N 3.38Å; T890-K894 VanDerWaalsContact O-N 3.16Å
891	N	90.2	Very high	91.4	Very high	42 Å²	42	34.9 Å²	34.9	23%	0.225	16%	0.162	C	C	.	.	H	α-helix	trans	-66.8	-46.5	173.3	178	55	0	0	0	111.3	F887 S888 V889 K894 Q895	F887-N891 WeakPolarHBondContact O-CB 3.45Å; F887-N891 PolarHBondContact O-N 2.95Å; S888-N891 PolarHBondContact O-N 2.9Å; V889-N891 VanDerWaalsContact C-N 3.33Å; V889-N891 PolarHBondContact O-N 3.03Å; N891-K894 PolarHBondContact O-N 3.4Å; N891-Q895 WeakPolarHBondContact O-CG 3.22Å; N891-Q895 PolarHBondContact O-N 3.08Å; N891-Q895 PolarHBondContact OD1-NE2 3.15Å
892	F	91.8	Very high	91.3	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-57	-53.9	179.7	-174.7	-87.4	0	0	0	112.1	S888 V889 K894 Q895 L896 I956 Y1033 A1037 F1040 I1059	S888-F892 PolarHBondContact O-N 3.35Å; V889-F892 PolarHBondContact O-N 2.94Å; F892-K894 VanDerWaalsContact C-N 3.25Å; F892-K894 PolarHBondContact O-N 3.5Å; F892-Q895 PolarHBondContact O-N 2.86Å; F892-L896 HydrophobicContact CD1-CD1 3.81Å; F892-L896 HydrophobicContact CE1-CD1 3.33Å; F892-L896 HydrophobicContact CE1-CG 4.27Å; F892-L896 HydrophobicContact CZ-CD1 4.06Å; F892-L896 PolarHBondContact O-N 2.86Å; F892-I956 HydrophobicContact CD1-CG2 4.18Å; F892-I956 HydrophobicContact CE1-CD1 4.06Å; F892-I956 HydrophobicContact CE1-CG2 3.66Å; F892-I956 HydrophobicContact CZ-CD1 3.67Å; F892-I956 HydrophobicContact CZ-CG2 4.31Å; F892-Y1033 VanDerWaalsContact CB-OH 3.29Å; F892-Y1033 WeakPolarHBondContact CB-OH 3.19Å; F892-A1037 HydrophobicContact CE2-CB 4.24Å; F892-F1040 HydrophobicContact CE2-CD1 4.41Å; F892-F1040 AromaticContact CZ-CD1 3.96Å; F892-F1040 HydrophobicContact CZ-CD1 3.96Å; F892-F1040 HydrophobicContact CZ-CE1 4.27Å; F892-I1059 HydrophobicContact CD2-CG2 3.52Å; F892-I1059 HydrophobicContact CE2-CD1 4.3Å; F892-I1059 HydrophobicContact CE2-CG2 3.7Å
893	V	92.9	Very high	91.2	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	18%	0.181	C	C	.	.	H	α-helix	trans	-59	-38.6	177.7	174.4	0	0	0	0	110.8	L848 A851 D852 V889 L896 V897	L848-V893 HydrophobicContact CD1-CG1 4.35Å; A851-V893 HydrophobicContact CB-CG1 4.29Å; D852-V893 HydrophobicContact CB-CG1 3.86Å; V889-V893 HydrophobicContact CG1-CG2 4.36Å; V889-V893 WeakPolarHBondContact O-CG2 3.27Å; V889-V893 PolarHBondContact O-N 3.35Å; V893-L896 PolarHBondContact O-N 2.92Å; V893-V897 HydrophobicContact CG1-CG2 4.45Å; V893-V897 WeakPolarHBondContact O-CG2 3.19Å; V893-V897 PolarHBondContact O-N 3.45Å
894	K	91.1	Very high	91.3	Very high	53 Å²	53	35.8 Å²	35.8	23%	0.23	17%	0.171	C	C	.	.	H	α-helix	trans	-70.3	-37.7	178.4	-76.5	172	-175.4	166.1	0	114	D852 T890 N891 F892 L896 V897 Y898	D852-K894 WeakPolarHBondContact OD1-CE 3.47Å; D852-K894 WeakPolarHBondContact OD1-CG 3.46Å; D852-K894 IonicContact OD1-NZ 3.93Å; T890-K894 HydrophobicContact CG2-CD 3.86Å; T890-K894 VanDerWaalsContact O-CB 3.28Å; T890-K894 WeakPolarHBondContact O-CB 3.05Å; T890-K894 WeakPolarHBondContact O-CD 3.3Å; T890-K894 VanDerWaalsContact O-CG 3.23Å; T890-K894 WeakPolarHBondContact O-CG 3.48Å; T890-K894 PolarHBondContact O-N 3.38Å; T890-K894 VanDerWaalsContact O-N 3.16Å; N891-K894 PolarHBondContact O-N 3.4Å; F892-K894 VanDerWaalsContact C-N 3.25Å; F892-K894 PolarHBondContact O-N 3.5Å; K894-L896 VanDerWaalsContact C-N 3.31Å; K894-L896 PolarHBondContact O-N 3.27Å; K894-V897 PolarHBondContact O-N 2.72Å; K894-Y898 HydrophobicContact CB-CD2 4.41Å; K894-Y898 HydrophobicContact CB-CE2 4.06Å; K894-Y898 WeakPolarHBondContact O-CD2 3.38Å; K894-Y898 PolarHBondContact O-N 3.36Å
895	Q	90.9	Very high	91.4	Very high	23 Å²	23	30 Å²	30	11%	0.107	14%	0.141	C	C	.	.	H	α-helix	trans	-63.7	-39.5	173.7	-58.9	-42.9	-36.3	0	0	111.2	N891 F892 Y898 Y899 I1059	N891-Q895 WeakPolarHBondContact O-CG 3.22Å; N891-Q895 PolarHBondContact O-N 3.08Å; N891-Q895 PolarHBondContact OD1-NE2 3.15Å; F892-Q895 PolarHBondContact O-N 2.86Å; Q895-Y898 PolarHBondContact O-N 3.15Å; Q895-Y899 WeakPolarHBondContact O-CB 3.3Å; Q895-Y899 PolarHBondContact O-N 3.01Å; Q895-I1059 HydrophobicContact CB-CG1 3.93Å
896	L	92.4	Very high	91.5	Very high	5 Å²	5	33.7 Å²	33.7	3%	0.026	16%	0.157	C	C	.	.	H	α-helix	trans	-64.2	-41.6	173.6	-69.6	173.9	0	0	0	112.9	L848 F892 V893 K894 A900 L953 F1040 L1055 I1059	L848-L896 HydrophobicContact CD1-CB 4.04Å; L848-L896 HydrophobicContact CD1-CD1 4.45Å; L848-L896 HydrophobicContact CD2-CB 4.37Å; F892-L896 HydrophobicContact CD1-CD1 3.81Å; F892-L896 HydrophobicContact CE1-CD1 3.33Å; F892-L896 HydrophobicContact CE1-CG 4.27Å; F892-L896 HydrophobicContact CZ-CD1 4.06Å; F892-L896 PolarHBondContact O-N 2.86Å; V893-L896 PolarHBondContact O-N 2.92Å; K894-L896 VanDerWaalsContact C-N 3.31Å; K894-L896 PolarHBondContact O-N 3.27Å; L896-A900 VanDerWaalsContact O-CB 3.29Å; L896-A900 WeakPolarHBondContact O-CB 3.41Å; L896-A900 PolarHBondContact O-N 3.35Å; L896-L953 HydrophobicContact CD1-CD1 3.5Å; L896-F1040 HydrophobicContact CD2-CE1 4.36Å; L896-F1040 HydrophobicContact CD2-CZ 4.36Å; L896-L1055 HydrophobicContact CD2-CD1 4.46Å; L896-L1055 HydrophobicContact CD2-CD2 4.19Å; L896-I1059 HydrophobicContact CD2-CD1 4.05Å; L896-I1059 HydrophobicContact CG-CD1 4.49Å
897	V	92.3	Very high	91.4	Very high	6 Å²	6	38.3 Å²	38.3	4%	0.036	18%	0.175	C	C	.	.	H	α-helix	trans	-63.1	-47.1	173.6	167.6	0	0	0	0	110.8	L848 D852 V893 K894 Y899 A900 F901	L848-V897 HydrophobicContact CD1-CG2 4.22Å; L848-V897 HydrophobicContact CD2-CG2 4.22Å; L848-V897 HydrophobicContact CG-CG2 3.83Å; D852-V897 HydrophobicContact CB-CG2 4.08Å; V893-V897 HydrophobicContact CG1-CG2 4.45Å; V893-V897 WeakPolarHBondContact O-CG2 3.19Å; V893-V897 PolarHBondContact O-N 3.45Å; K894-V897 PolarHBondContact O-N 2.72Å; V897-Y899 PolarHBondContact O-N 3.48Å; V897-A900 PolarHBondContact O-N 3.45Å; V897-F901 HydrophobicContact CG1-CD2 3.84Å; V897-F901 HydrophobicContact CG1-CE2 4.29Å; V897-F901 VanDerWaalsContact O-CD2 3.27Å; V897-F901 WeakPolarHBondContact O-CD2 3.37Å; V897-F901 PolarHBondContact O-N 2.99Å
898	Y	91	Very high	91.5	Very high	125 Å²	125	31 Å²	31	49%	0.49	14%	0.144	S	C	.	.	H	α-helix	trans	-61.4	-44.6	178.4	-68.6	-49.3	0	0	0	111.8	K894 Q895 I902	K894-Y898 HydrophobicContact CB-CD2 4.41Å; K894-Y898 HydrophobicContact CB-CE2 4.06Å; K894-Y898 WeakPolarHBondContact O-CD2 3.38Å; K894-Y898 PolarHBondContact O-N 3.36Å; Q895-Y898 PolarHBondContact O-N 3.15Å; Y898-I902 HydrophobicContact CD1-CD1 3.86Å; Y898-I902 WeakPolarHBondContact O-CA 3.43Å; Y898-I902 VanDerWaalsContact O-CB 3.26Å; Y898-I902 WeakPolarHBondContact O-CB 3.47Å; Y898-I902 PolarHBondContact O-N 3.49Å
899	Y	91.6	Very high	91.6	Very high	12 Å²	12	30.9 Å²	30.9	5%	0.047	14%	0.143	C	C	.	.	I	π-helix	trans	-57.8	-54.1	174	172.3	-101.4	0	0	0	112.1	Q895 V897 F901 D903 V904 K939 F941 L1052 L1055	Q895-Y899 WeakPolarHBondContact O-CB 3.3Å; Q895-Y899 PolarHBondContact O-N 3.01Å; V897-Y899 PolarHBondContact O-N 3.48Å; Y899-F901 PolarHBondContact O-N 3.22Å; Y899-D903 HydrophobicContact CD2-CB 3.94Å; Y899-D903 HydrophobicContact CE2-CB 4.37Å; Y899-D903 PolarHBondContact O-N 3.12Å; Y899-D903 VanDerWaalsContact O-N 3.1Å; Y899-V904 HydrophobicContact CD1-CG2 4.12Å; Y899-V904 HydrophobicContact CD2-CG2 4.37Å; Y899-V904 HydrophobicContact CE1-CG2 3.57Å; Y899-V904 HydrophobicContact CE2-CG2 3.86Å; Y899-V904 HydrophobicContact CG-CG2 4.48Å; Y899-V904 VanDerWaalsContact CZ-CG2 3.4Å; Y899-V904 PolarHBondContact O-N 2.93Å; Y899-K939 WeakPolarHBondContact CE1-O 3.34Å; Y899-K939 PolarHBondContact OH-O 3.35Å; Y899-K939 VanDerWaalsContact OH-O 3.04Å; Y899-F941 HydrophobicContact CE1-CZ 4.3Å; Y899-L1052 VanDerWaalsContact OH-CD2 3.27Å; Y899-L1052 WeakPolarHBondContact OH-CD2 3.23Å; Y899-L1055 HydrophobicContact CD1-CD1 4.36Å; Y899-L1055 HydrophobicContact CD1-CD2 3.77Å; Y899-L1055 HydrophobicContact CD2-CB 4.31Å; Y899-L1055 HydrophobicContact CD2-CD1 4.14Å; Y899-L1055 HydrophobicContact CD2-CD2 4.31Å; Y899-L1055 HydrophobicContact CD2-CG 4.49Å; Y899-L1055 HydrophobicContact CE1-CD2 3.95Å; Y899-L1055 HydrophobicContact CE2-CB 4.45Å; Y899-L1055 HydrophobicContact CE2-CD2 4.47Å; Y899-L1055 HydrophobicContact CG-CD1 3.8Å; Y899-L1055 HydrophobicContact CG-CD2 3.98Å; Y899-L1055 HydrophobicContact CG-CG 4.37Å
900	A	92.2	Very high	91.6	Very high	2 Å²	2	36.1 Å²	36.1	2%	0.017	17%	0.17	C	C	.	.	I	π-helix	trans	-62.5	-41.5	-175.3	0	0	0	0	0	112.9	L845 L848 L896 V897 V904 I905 L940	L845-A900 HydrophobicContact CD2-CB 4.18Å; L848-A900 HydrophobicContact CD2-CB 4.17Å; L896-A900 VanDerWaalsContact O-CB 3.29Å; L896-A900 WeakPolarHBondContact O-CB 3.41Å; L896-A900 PolarHBondContact O-N 3.35Å; V897-A900 PolarHBondContact O-N 3.45Å; A900-V904 WeakPolarHBondContact O-CB 3.36Å; A900-I905 WeakPolarHBondContact O-CB 3.48Å; A900-I905 WeakPolarHBondContact O-CD1 3.45Å; A900-I905 WeakPolarHBondContact O-CG1 3.45Å; A900-I905 PolarHBondContact O-N 2.95Å; A900-L940 HydrophobicContact CB-CD2 3.69Å
901	F	92.5	Very high	91.6	Very high	16 Å²	16	39.4 Å²	39.4	7%	0.07	18%	0.184	C	C	.	.	I	π-helix	trans	-88.5	-35	-175.3	-71.9	-81.8	0	0	0	113.9	L745 L746 L845 R849 V897 Y899 I905 E906	L745-F901 VanDerWaalsContact O-CE1 3.28Å; L745-F901 WeakPolarHBondContact O-CE1 3.25Å; L746-F901 HydrophobicContact CB-CE1 3.91Å; L746-F901 HydrophobicContact CB-CZ 4.1Å; L746-F901 WeakPolarHBondContact O-CE1 3.35Å; L845-F901 HydrophobicContact CB-CZ 4.29Å; L845-F901 HydrophobicContact CD2-CE1 4.43Å; L845-F901 HydrophobicContact CD2-CE2 4.18Å; L845-F901 HydrophobicContact CD2-CZ 3.9Å; R849-F901 HydrophobicContact CG-CE2 3.73Å; R849-F901 HydrophobicContact CG-CZ 3.55Å; V897-F901 HydrophobicContact CG1-CD2 3.84Å; V897-F901 HydrophobicContact CG1-CE2 4.29Å; V897-F901 VanDerWaalsContact O-CD2 3.27Å; V897-F901 WeakPolarHBondContact O-CD2 3.37Å; V897-F901 PolarHBondContact O-N 2.99Å; Y899-F901 PolarHBondContact O-N 3.22Å; F901-I905 HydrophobicContact CD1-CD1 4.04Å; F901-I905 HydrophobicContact CE1-CD1 4.17Å; F901-E906 WeakPolarHBondContact O-CB 3.23Å; F901-E906 PolarHBondContact O-N 3Å; F901-E906 VanDerWaalsContact O-N 3.1Å
902	I	88.9	Confident	91.7	Very high	99 Å²	99	37.7 Å²	37.7	51%	0.508	17%	0.174	S	C	.	.	I	π-helix	trans	-98.9	-57.6	-175.1	-55	170.9	0	0	0	111.2	Y898 V904 R907	Y898-I902 HydrophobicContact CD1-CD1 3.86Å; Y898-I902 WeakPolarHBondContact O-CA 3.43Å; Y898-I902 VanDerWaalsContact O-CB 3.26Å; Y898-I902 WeakPolarHBondContact O-CB 3.47Å; Y898-I902 PolarHBondContact O-N 3.49Å; I902-V904 VanDerWaalsContact C-N 3.35Å; I902-V904 PolarHBondContact O-N 2.84Å; I902-R907 PolarHBondContact O-N 3.34Å
903	D	88.6	Confident	91.7	Very high	56 Å²	56	39.4 Å²	39.4	30%	0.299	18%	0.182	S	C	.	.	I	π-helix	trans	-73	-28.6	-176.3	-78.3	-55	0	0	0	113.1	Y899 R907	Y899-D903 HydrophobicContact CD2-CB 3.94Å; Y899-D903 HydrophobicContact CE2-CB 4.37Å; Y899-D903 PolarHBondContact O-N 3.12Å; Y899-D903 VanDerWaalsContact O-N 3.1Å; D903-R907 WeakPolarHBondContact O-CB 3.13Å; D903-R907 WeakPolarHBondContact O-CD 3.36Å; D903-R907 PolarHBondContact O-NE 3.23Å; D903-R907 IonicContact OD1-CZ 3.64Å; D903-R907 IonicContact OD1-NH2 3.61Å; D903-R907 PolarHBondContact OD1-NH2 3.44Å
904	V	92.2	Very high	91.5	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	20%	0.202	C	C	.	.	I	π-helix	trans	-98	-79.9	176.6	-175.9	0	0	0	0	111.4	Y899 A900 I902 E906 R907 A908 W935 I936 K939 L940	Y899-V904 HydrophobicContact CD1-CG2 4.12Å; Y899-V904 HydrophobicContact CD2-CG2 4.37Å; Y899-V904 HydrophobicContact CE1-CG2 3.57Å; Y899-V904 HydrophobicContact CE2-CG2 3.86Å; Y899-V904 HydrophobicContact CG-CG2 4.48Å; Y899-V904 VanDerWaalsContact CZ-CG2 3.4Å; Y899-V904 PolarHBondContact O-N 2.93Å; A900-V904 WeakPolarHBondContact O-CB 3.36Å; I902-V904 VanDerWaalsContact C-N 3.35Å; I902-V904 PolarHBondContact O-N 2.84Å; V904-E906 PolarHBondContact O-N 2.84Å; V904-R907 PolarHBondContact O-N 3.38Å; V904-A908 PolarHBondContact O-N 2.8Å; V904-W935 HydrophobicContact CB-CZ3 4.1Å; V904-W935 HydrophobicContact CG1-CE3 4.15Å; V904-W935 HydrophobicContact CG1-CH2 4.33Å; V904-W935 HydrophobicContact CG1-CZ3 3.51Å; V904-W935 VanDerWaalsContact O-CZ3 3.3Å; V904-W935 WeakPolarHBondContact O-CZ3 3.43Å; V904-I936 HydrophobicContact CG1-CG1 4.34Å; V904-I936 HydrophobicContact CG1-CG2 4.36Å; V904-K939 HydrophobicContact CB-CB 4.48Å; V904-K939 HydrophobicContact CG1-CB 3.74Å; V904-K939 HydrophobicContact CG2-CB 3.86Å; V904-L940 HydrophobicContact CB-CD2 4.02Å; V904-L940 HydrophobicContact CG1-CD2 3.83Å; V904-L940 HydrophobicContact CG1-CG 3.92Å; V904-L940 HydrophobicContact CG2-CD2 4.09Å
905	I	92.8	Very high	91.5	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	21%	0.209	C	C	.	.	I	π-helix	trans	-61.4	-43.1	-165.9	-67.4	161.5	0	0	0	113.3	L745 L845 A900 F901 S909 I936 L940	L745-I905 HydrophobicContact CB-CD1 4.39Å; L745-I905 HydrophobicContact CB-CG2 4.25Å; L745-I905 HydrophobicContact CD1-CG2 4.21Å; L845-I905 HydrophobicContact CD1-CD1 3.63Å; L845-I905 HydrophobicContact CD2-CD1 3.81Å; L845-I905 HydrophobicContact CG-CD1 4.39Å; A900-I905 WeakPolarHBondContact O-CB 3.48Å; A900-I905 WeakPolarHBondContact O-CD1 3.45Å; A900-I905 WeakPolarHBondContact O-CG1 3.45Å; A900-I905 PolarHBondContact O-N 2.95Å; F901-I905 HydrophobicContact CD1-CD1 4.04Å; F901-I905 HydrophobicContact CE1-CD1 4.17Å; I905-S909 VanDerWaalsContact O-CB 3.23Å; I905-S909 WeakPolarHBondContact O-CB 3.18Å; I905-S909 PolarHBondContact O-N 2.84Å; I905-I936 HydrophobicContact CG1-CG2 4.37Å; I905-L940 HydrophobicContact CD1-CD1 4.39Å; I905-L940 HydrophobicContact CG1-CD1 4.49Å
906	E	91.8	Very high	91.3	Very high	78 Å²	78	43.1 Å²	43.1	36%	0.364	21%	0.209	S	C	.	.	I	π-helix	trans	-68.1	-43.5	178.2	-168.8	59.8	-138.4	0	0	111.7	K741 F901 V904 S909 I910	K741-E906 WeakPolarHBondContact CE-OE2 3.27Å; K741-E906 IonicContact NZ-OE1 2.86Å; K741-E906 PolarHBondContact NZ-OE1 3.3Å; K741-E906 IonicContact NZ-OE2 3.63Å; K741-E906 PolarHBondContact NZ-OE2 3.36Å; F901-E906 WeakPolarHBondContact O-CB 3.23Å; F901-E906 PolarHBondContact O-N 3Å; F901-E906 VanDerWaalsContact O-N 3.1Å; V904-E906 PolarHBondContact O-N 2.84Å; E906-S909 PolarHBondContact O-N 2.96Å; E906-I910 HydrophobicContact CG-CD1 4.14Å; E906-I910 WeakPolarHBondContact O-CG1 3.14Å; E906-I910 PolarHBondContact O-N 3.14Å
907	R	91.5	Very high	91	Very high	100 Å²	100	49 Å²	49	38%	0.377	24%	0.241	S	C	.	.	H	α-helix	trans	-58.1	-52.4	177.9	-164.8	-171.2	-65.8	-178.2	3.9	111.6	I902 D903 V904 S909 I910 E911 W935 D1051	I902-R907 PolarHBondContact O-N 3.34Å; D903-R907 WeakPolarHBondContact O-CB 3.13Å; D903-R907 WeakPolarHBondContact O-CD 3.36Å; D903-R907 PolarHBondContact O-NE 3.23Å; D903-R907 IonicContact OD1-CZ 3.64Å; D903-R907 IonicContact OD1-NH2 3.61Å; D903-R907 PolarHBondContact OD1-NH2 3.44Å; V904-R907 PolarHBondContact O-N 3.38Å; R907-S909 VanDerWaalsContact C-N 3.32Å; R907-S909 PolarHBondContact O-N 3.2Å; R907-I910 PolarHBondContact O-N 2.97Å; R907-E911 PolarHBondContact O-N 3.3Å; R907-E911 VanDerWaalsContact O-N 3.15Å; R907-W935 HydrophobicContact CB-CH2 4.22Å; R907-W935 HydrophobicContact CG-CH2 4.43Å; R907-D1051 IonicContact CZ-OD1 2.7Å; R907-D1051 IonicContact NH1-OD1 3.33Å; R907-D1051 PolarHBondContact NH1-OD1 3.31Å; R907-D1051 IonicContact NH1-OD2 2.7Å; R907-D1051 IonicContact NH2-OD1 3.04Å
908	A	92.6	Very high	90.8	Very high	5 Å²	5	53.1 Å²	53.1	4%	0.041	27%	0.27	C	S	.	.	H	α-helix	trans	-61.9	-38.2	175.9	0	0	0	0	0	112.8	V904 I910 E911 F912 F932 W935 I936	V904-A908 PolarHBondContact O-N 2.8Å; A908-I910 VanDerWaalsContact C-N 3.33Å; A908-I910 PolarHBondContact O-N 3.2Å; A908-E911 PolarHBondContact O-N 3.44Å; A908-F912 VanDerWaalsContact O-CB 3.3Å; A908-F912 WeakPolarHBondContact O-CB 3.24Å; A908-F912 PolarHBondContact O-N 2.99Å; A908-F932 HydrophobicContact CB-CD2 3.88Å; A908-F932 HydrophobicContact CB-CE2 4.06Å; A908-W935 HydrophobicContact CB-CD2 4.45Å; A908-W935 HydrophobicContact CB-CE3 3.58Å; A908-W935 HydrophobicContact CB-CH2 4.49Å; A908-W935 HydrophobicContact CB-CZ3 3.58Å; A908-I936 HydrophobicContact CB-CD1 3.75Å; A908-I936 HydrophobicContact CB-CG1 3.6Å
909	S	91.5	Very high	90.4	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.014	25%	0.254	C	S	.	.	H	α-helix	trans	-64.6	-37.7	177.6	173.1	0	0	0	0	112.4	K741 I905 E906 R907 F913	K741-S909 VanDerWaalsContact CD-OG 3.3Å; K741-S909 WeakPolarHBondContact CD-OG 3.47Å; K741-S909 VanDerWaalsContact CE-OG 3.28Å; K741-S909 WeakPolarHBondContact CE-OG 3.16Å; K741-S909 PolarHBondContact NZ-OG 3.17Å; I905-S909 VanDerWaalsContact O-CB 3.23Å; I905-S909 WeakPolarHBondContact O-CB 3.18Å; I905-S909 PolarHBondContact O-N 2.84Å; E906-S909 PolarHBondContact O-N 2.96Å; R907-S909 VanDerWaalsContact C-N 3.32Å; R907-S909 PolarHBondContact O-N 3.2Å; S909-F913 WeakPolarHBondContact O-CD2 3.48Å; S909-F913 PolarHBondContact O-N 3.44Å; S909-F913 WeakPolarHBondContact OG-CD2 3.18Å; S909-F913 WeakPolarHBondContact OG-CE2 3.31Å
910	I	92.3	Very high	89.9	Confident	110 Å²	110	51.3 Å²	51.3	56%	0.564	28%	0.278	S	S	*	.	H	α-helix	trans	-66.3	-44.5	176.4	-68.9	164.1	0	0	0	110.1	E906 R907 A908 G914	E906-I910 HydrophobicContact CG-CD1 4.14Å; E906-I910 WeakPolarHBondContact O-CG1 3.14Å; E906-I910 PolarHBondContact O-N 3.14Å; R907-I910 PolarHBondContact O-N 2.97Å; A908-I910 VanDerWaalsContact C-N 3.33Å; A908-I910 PolarHBondContact O-N 3.2Å; I910-G914 PolarHBondContact O-N 3.02Å
911	E	92.3	Very high	89.2	Confident	89 Å²	89	53.3 Å²	53.3	42%	0.416	29%	0.289	S	S	.	.	H	α-helix	trans	-63.9	-44.3	176.9	-165.2	-168.7	134.3	0	0	112.1	R907 A908 G914 K915	R907-E911 PolarHBondContact O-N 3.3Å; R907-E911 VanDerWaalsContact O-N 3.15Å; A908-E911 PolarHBondContact O-N 3.44Å; E911-G914 PolarHBondContact O-N 3.28Å; E911-K915 HydrophobicContact CG-CD 4.41Å; E911-K915 PolarHBondContact O-N 3.14Å; E911-K915 VanDerWaalsContact OE1-CE 3.31Å; E911-K915 WeakPolarHBondContact OE1-CE 3.46Å; E911-K915 IonicContact OE1-NZ 3.25Å; E911-K915 PolarHBondContact OE1-NZ 2.72Å
912	F	92.8	Very high	88.4	Confident	5 Å²	5	53.6 Å²	53.6	2%	0.022	29%	0.29	C	S	.	.	H	α-helix	trans	-59.5	-50.6	176	171.7	-97.1	0	0	0	111.9	F733 M737 A908 G914 K915 F916 A928 H929 F932	F733-F912 HydrophobicContact CE1-CZ 4.01Å; F733-F912 HydrophobicContact CZ-CZ 4.49Å; M737-F912 HydrophobicContact CB-CE1 3.86Å; M737-F912 HydrophobicContact CB-CZ 4.47Å; M737-F912 HydrophobicContact CE-CD1 4.18Å; M737-F912 HydrophobicContact CE-CE1 3.74Å; M737-F912 HydrophobicContact CE-CE2 4.24Å; M737-F912 HydrophobicContact CE-CZ 3.78Å; M737-F912 HydrophobicContact CG-CE1 3.72Å; M737-F912 HydrophobicContact CG-CZ 3.82Å; M737-F912 HydrophobicContact SD-CZ 4.37Å; A908-F912 VanDerWaalsContact O-CB 3.3Å; A908-F912 WeakPolarHBondContact O-CB 3.24Å; A908-F912 PolarHBondContact O-N 2.99Å; F912-G914 PolarHBondContact O-N 3.16Å; F912-K915 PolarHBondContact O-N 3.17Å; F912-F916 HydrophobicContact CE1-CB 4.4Å; F912-F916 HydrophobicContact CZ-CB 4.38Å; F912-F916 VanDerWaalsContact O-CB 3.22Å; F912-F916 WeakPolarHBondContact O-CB 3.17Å; F912-F916 PolarHBondContact O-N 3.27Å; F912-A928 HydrophobicContact CD2-CB 4.18Å; F912-A928 HydrophobicContact CE2-CB 4.21Å; F912-H929 HydrophobicContact CE2-CB 4.09Å; F912-F932 HydrophobicContact CB-CB 4.1Å; F912-F932 HydrophobicContact CB-CD2 3.61Å; F912-F932 HydrophobicContact CB-CE2 4.32Å; F912-F932 HydrophobicContact CB-CG 4.08Å; F912-F932 HydrophobicContact CD2-CB 3.88Å; F912-F932 HydrophobicContact CD2-CG 4.24Å; F912-F932 HydrophobicContact CG-CB 4.24Å; F912-F932 HydrophobicContact CG-CD2 4.12Å; F912-F932 HydrophobicContact CG-CG 4.21Å
913	F	90.5	Very high	88.1	Confident	38 Å²	38	52.4 Å²	52.4	17%	0.167	28%	0.284	C	S	.	.	H	α-helix	trans	-67.3	-27.4	177.9	-76.1	-58.3	0	0	0	112.2	M737 N738 S909 F916 N917	M737-F913 HydrophobicContact CB-CE1 4.12Å; M737-F913 HydrophobicContact CB-CZ 3.93Å; N738-F913 WeakPolarHBondContact ND2-CZ 3.39Å; S909-F913 WeakPolarHBondContact O-CD2 3.48Å; S909-F913 PolarHBondContact O-N 3.44Å; S909-F913 WeakPolarHBondContact OG-CD2 3.18Å; S909-F913 WeakPolarHBondContact OG-CE2 3.31Å; F913-F916 HydrophobicContact CD1-CD1 4.36Å; F913-N917 VanDerWaalsContact O-CB 3.3Å; F913-N917 WeakPolarHBondContact O-CB 3.19Å; F913-N917 PolarHBondContact O-N 3.33Å; F913-N917 VanDerWaalsContact O-N 3.08Å; F913-N917 PolarHBondContact O-ND2 3.09Å
914	G	90	Very high	87.9	Confident	41 Å²	41	52.1 Å²	52.1	42%	0.423	29%	0.287	S	S	.	.	H	α-helix	trans	-59.5	-60.1	167.3	0	0	0	0	0	111.7	I910 E911 F912 F916 N917 S918	I910-G914 PolarHBondContact O-N 3.02Å; E911-G914 PolarHBondContact O-N 3.28Å; F912-G914 PolarHBondContact O-N 3.16Å; G914-F916 VanDerWaalsContact C-N 3.32Å; G914-F916 PolarHBondContact O-N 2.82Å; G914-N917 PolarHBondContact O-N 2.72Å; G914-S918 PolarHBondContact O-N 3.24Å; G914-S918 PolarHBondContact O-OG 3.49Å
915	K	90.4	Very high	87.6	Confident	86 Å²	86	52.1 Å²	52.1	37%	0.374	29%	0.286	S	S	.	.	H	α-helix	trans	-58.9	-39.2	179.5	-74.3	173.9	169	171.8	0	112.9	E911 F912 S918 A919 A928	E911-K915 HydrophobicContact CG-CD 4.41Å; E911-K915 PolarHBondContact O-N 3.14Å; E911-K915 VanDerWaalsContact OE1-CE 3.31Å; E911-K915 WeakPolarHBondContact OE1-CE 3.46Å; E911-K915 IonicContact OE1-NZ 3.25Å; E911-K915 PolarHBondContact OE1-NZ 2.72Å; F912-K915 PolarHBondContact O-N 3.17Å; K915-S918 CarbonylContact O-C 3.52Å; K915-S918 PolarHBondContact O-N 3.01Å; K915-S918 PolarHBondContact O-OG 3.49Å; K915-A919 PolarHBondContact O-N 3.13Å; K915-A919 VanDerWaalsContact O-N 3.13Å; K915-A928 HydrophobicContact CB-CB 3.87Å
916	F	87.3	Confident	87.3	Confident	27 Å²	27	52.6 Å²	52.6	12%	0.118	29%	0.289	C	S	.	.	H	α-helix	trans	-63.7	-48.2	176.9	175.6	-108.3	0	0	0	112.3	M727 F733 F912 F913 G914 S918 A919 V925	M727-F916 HydrophobicContact CE-CE2 3.84Å; M727-F916 HydrophobicContact CE-CZ 4.49Å; F733-F916 HydrophobicContact CD1-CD2 4.2Å; F733-F916 AromaticContact CD1-CE2 3.59Å; F733-F916 HydrophobicContact CD1-CE2 3.59Å; F733-F916 HydrophobicContact CD1-CZ 4.08Å; F733-F916 HydrophobicContact CE1-CD2 4.38Å; F733-F916 HydrophobicContact CE1-CE2 4.19Å; F912-F916 HydrophobicContact CE1-CB 4.4Å; F912-F916 HydrophobicContact CZ-CB 4.38Å; F912-F916 VanDerWaalsContact O-CB 3.22Å; F912-F916 WeakPolarHBondContact O-CB 3.17Å; F912-F916 PolarHBondContact O-N 3.27Å; F913-F916 HydrophobicContact CD1-CD1 4.36Å; G914-F916 VanDerWaalsContact C-N 3.32Å; G914-F916 PolarHBondContact O-N 2.82Å; F916-S918 PolarHBondContact O-N 3.27Å; F916-A919 WeakPolarHBondContact O-CB 3.45Å; F916-A919 PolarHBondContact O-N 3.29Å; F916-V925 HydrophobicContact CD2-CG1 3.83Å; F916-V925 HydrophobicContact CD2-CG2 3.98Å; F916-V925 HydrophobicContact CE2-CG1 4.03Å; F916-V925 HydrophobicContact CE2-CG2 4.25Å
917	N	85.7	Confident	87.1	Confident	130 Å²	130	52 Å²	52	70%	0.695	29%	0.294	S	S	*	.	H	α-helix	trans	-71	-12.9	179.5	-68.3	-30.3	0	0	0	113.2	F913 G914	F913-N917 VanDerWaalsContact O-CB 3.3Å; F913-N917 WeakPolarHBondContact O-CB 3.19Å; F913-N917 PolarHBondContact O-N 3.33Å; F913-N917 VanDerWaalsContact O-N 3.08Å; F913-N917 PolarHBondContact O-ND2 3.09Å; G914-N917 PolarHBondContact O-N 2.72Å
918	S	87.3	Confident	87.1	Confident	92 Å²	92	47.5 Å²	47.5	64%	0.643	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	8.2	175.8	68.6	0	0	0	0	114	G914 K915 F916	G914-S918 PolarHBondContact O-N 3.24Å; G914-S918 PolarHBondContact O-OG 3.49Å; K915-S918 CarbonylContact O-C 3.52Å; K915-S918 PolarHBondContact O-N 3.01Å; K915-S918 PolarHBondContact O-OG 3.49Å; F916-S918 PolarHBondContact O-N 3.27Å
919	A	83.6	Confident	87.1	Confident	19 Å²	19	47.2 Å²	47.2	16%	0.157	28%	0.276	C	S	.	.			trans	-71.4	132	-177.6	0	0	0	0	0	111.4	L724 K915 F916 C924 V925	L724-A919 VanDerWaalsContact CD1-O 3.3Å; L724-A919 WeakPolarHBondContact CD1-O 3.31Å; K915-A919 PolarHBondContact O-N 3.13Å; K915-A919 VanDerWaalsContact O-N 3.13Å; F916-A919 WeakPolarHBondContact O-CB 3.45Å; F916-A919 PolarHBondContact O-N 3.29Å; A919-C924 HydrophobicContact CB-CB 3.93Å; A919-V925 HydrophobicContact CB-CG2 3.53Å
920	S	81.7	Confident	87.1	Confident	80 Å²	80	53.2 Å²	53.2	56%	0.559	30%	0.298	S	S	*	.	S	Bend	trans	-82.6	-23.9	173.8	37.4	0	0	0	0	113.7	S720	S720-S920 VanDerWaalsContact CB-O 3.3Å; S720-S920 WeakPolarHBondContact CB-O 3.21Å
921	D	76.2	Confident	87	Confident	44 Å²	44	50.4 Å²	50.4	24%	0.235	29%	0.288	C	S	.	.	S	Bend	trans	-154.3	171	-165.6	53.3	74.9	0	0	0	112.1	D923 C924	D921-D923 PolarHBondContact OD1-N 3.11Å; D921-C924 WeakPolarHBondContact OD1-CB 3.17Å; D921-C924 PolarHBondContact OD1-N 3.32Å; D921-C924 PolarHBondContact OD1-SG 3.47Å; D921-C924 PolarHBondContact OD2-SG 3.05Å; D921-C924 VanDerWaalsContact OD2-SG 3.36Å
922	F	77.3	Confident	87.1	Confident	22 Å²	22	46.7 Å²	46.7	10%	0.096	27%	0.271	C	S	.	.	H	α-helix	trans	-65.1	-42.9	-178	-175.1	-94.3	0	0	0	112.5	Y670 V723 V829 C924 V925 V926	Y670-F922 HydrophobicContact CD1-CD2 4.48Å; Y670-F922 HydrophobicContact CD1-CE2 4.15Å; Y670-F922 AromaticContact CD2-CE2 3.96Å; Y670-F922 HydrophobicContact CD2-CE2 3.96Å; Y670-F922 HydrophobicContact CD2-CZ 4.01Å; Y670-F922 HydrophobicContact CE1-CD2 4.36Å; Y670-F922 AromaticContact CE1-CE2 3.93Å; Y670-F922 HydrophobicContact CE1-CE2 3.93Å; Y670-F922 AromaticContact CE2-CE2 3.72Å; Y670-F922 HydrophobicContact CE2-CE2 3.72Å; Y670-F922 HydrophobicContact CE2-CZ 4.02Å; Y670-F922 HydrophobicContact CG-CE2 4.18Å; Y670-F922 HydrophobicContact CG-CZ 4.45Å; Y670-F922 AromaticContact CZ-CE2 3.71Å; V723-F922 HydrophobicContact CG1-CB 4.12Å; V723-F922 HydrophobicContact CG1-CD2 3.61Å; V723-F922 HydrophobicContact CG1-CE2 4.49Å; V723-F922 HydrophobicContact CG1-CG 4.3Å; V829-F922 HydrophobicContact CB-CZ 4.45Å; V829-F922 HydrophobicContact CG2-CE2 3.73Å; V829-F922 HydrophobicContact CG2-CZ 3.88Å; F922-C924 VanDerWaalsContact C-N 3.34Å; F922-C924 PolarHBondContact O-N 2.93Å; F922-V925 WeakPolarHBondContact O-CB 3.35Å; F922-V925 PolarHBondContact O-N 3.41Å; F922-V926 HydrophobicContact CD1-CG2 3.94Å; F922-V926 HydrophobicContact CE1-CG2 3.69Å; F922-V926 HydrophobicContact CZ-CG2 4.37Å; F922-V926 PolarHBondContact O-N 2.81Å; F922-V926 VanDerWaalsContact O-N 3.08Å
923	D	81.5	Confident	87.1	Confident	73 Å²	73	47 Å²	47	39%	0.39	27%	0.272	S	S	.	.	H	α-helix	trans	-68.4	-31.9	-176.7	-70.9	-53.1	0	0	0	112.3	D921 V925 V926 S927	D921-D923 PolarHBondContact OD1-N 3.11Å; D923-V925 VanDerWaalsContact C-N 3.27Å; D923-V925 PolarHBondContact O-N 2.79Å; D923-V926 PolarHBondContact O-N 3.22Å; D923-S927 WeakPolarHBondContact O-CB 3.15Å; D923-S927 PolarHBondContact O-N 2.93Å
924	C	85.4	Confident	87.1	Confident	51 Å²	51	48.8 Å²	48.8	35%	0.345	29%	0.29	S	S	.	.	H	α-helix	trans	-58.2	-36.9	167.7	-78.3	0	0	0	0	112.5	A919 D921 F922 A928	A919-C924 HydrophobicContact CB-CB 3.93Å; D921-C924 WeakPolarHBondContact OD1-CB 3.17Å; D921-C924 PolarHBondContact OD1-N 3.32Å; D921-C924 PolarHBondContact OD1-SG 3.47Å; D921-C924 PolarHBondContact OD2-SG 3.05Å; D921-C924 VanDerWaalsContact OD2-SG 3.36Å; F922-C924 VanDerWaalsContact C-N 3.34Å; F922-C924 PolarHBondContact O-N 2.93Å; C924-A928 VanDerWaalsContact O-CB 3.26Å; C924-A928 WeakPolarHBondContact O-CB 3.22Å; C924-A928 PolarHBondContact O-N 2.88Å
925	V	85.6	Confident	87.3	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-74	-42.1	178	177.9	0	0	0	0	111.5	L724 M727 F733 V829 F916 A919 F922 D923 S927 A928 H929	L724-V925 HydrophobicContact CD2-CG2 3.79Å; M727-V925 HydrophobicContact CE-CB 4.42Å; M727-V925 HydrophobicContact CE-CG1 4.08Å; M727-V925 HydrophobicContact CE-CG2 4.11Å; M727-V925 HydrophobicContact SD-CG1 4.37Å; F733-V925 HydrophobicContact CD1-CG1 4.19Å; F733-V925 HydrophobicContact CE1-CG1 3.66Å; V829-V925 HydrophobicContact CG1-CG1 3.78Å; F916-V925 HydrophobicContact CD2-CG1 3.83Å; F916-V925 HydrophobicContact CD2-CG2 3.98Å; F916-V925 HydrophobicContact CE2-CG1 4.03Å; F916-V925 HydrophobicContact CE2-CG2 4.25Å; A919-V925 HydrophobicContact CB-CG2 3.53Å; F922-V925 WeakPolarHBondContact O-CB 3.35Å; F922-V925 PolarHBondContact O-N 3.41Å; D923-V925 VanDerWaalsContact C-N 3.27Å; D923-V925 PolarHBondContact O-N 2.79Å; V925-S927 VanDerWaalsContact C-N 3.33Å; V925-S927 PolarHBondContact O-N 2.9Å; V925-A928 PolarHBondContact O-N 2.67Å; V925-H929 PolarHBondContact O-N 2.94Å
926	V	85.8	Confident	87.4	Confident	12 Å²	12	45.9 Å²	45.9	7%	0.073	26%	0.264	C	S	.	.	H	α-helix	trans	-60.6	-43.8	172.7	179.9	0	0	0	0	110.5	V829 F922 D923 H929 R930	V829-V926 HydrophobicContact CG1-CG2 4.29Å; F922-V926 HydrophobicContact CD1-CG2 3.94Å; F922-V926 HydrophobicContact CE1-CG2 3.69Å; F922-V926 HydrophobicContact CZ-CG2 4.37Å; F922-V926 PolarHBondContact O-N 2.81Å; F922-V926 VanDerWaalsContact O-N 3.08Å; D923-V926 PolarHBondContact O-N 3.22Å; V926-H929 PolarHBondContact O-N 3.1Å; V926-R930 WeakPolarHBondContact O-CB 3.28Å; V926-R930 WeakPolarHBondContact O-CG 3.37Å; V926-R930 PolarHBondContact O-N 2.69Å
927	S	88.5	Confident	87.7	Confident	66 Å²	66	45.5 Å²	45.5	46%	0.462	26%	0.264	S	S	.	.	H	α-helix	trans	-64.5	-41.9	177	-175.1	0	0	0	0	112.4	D923 V925 R930 S931	D923-S927 WeakPolarHBondContact O-CB 3.15Å; D923-S927 PolarHBondContact O-N 2.93Å; V925-S927 VanDerWaalsContact C-N 3.33Å; V925-S927 PolarHBondContact O-N 2.9Å; S927-R930 PolarHBondContact O-N 3.07Å; S927-S931 VanDerWaalsContact O-CB 3.32Å; S927-S931 WeakPolarHBondContact O-CB 3.44Å; S927-S931 PolarHBondContact O-N 3.31Å; S927-S931 PolarHBondContact O-OG 3.38Å
928	A	90.9	Very high	87.9	Confident	5 Å²	5	41.3 Å²	41.3	4%	0.041	24%	0.241	C	C	.	.	H	α-helix	trans	-63.3	-41.1	174	0	0	0	0	0	112	F912 K915 C924 V925 S931 F932	F912-A928 HydrophobicContact CD2-CB 4.18Å; F912-A928 HydrophobicContact CE2-CB 4.21Å; K915-A928 HydrophobicContact CB-CB 3.87Å; C924-A928 VanDerWaalsContact O-CB 3.26Å; C924-A928 WeakPolarHBondContact O-CB 3.22Å; C924-A928 PolarHBondContact O-N 2.88Å; V925-A928 PolarHBondContact O-N 2.67Å; A928-S931 PolarHBondContact O-N 3.36Å; A928-F932 WeakPolarHBondContact O-CB 3.49Å; A928-F932 PolarHBondContact O-N 2.89Å
929	H	91.6	Very high	88.1	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.8	-45.7	176.4	175.6	-107.4	0	0	0	112.4	Y838 F912 V925 V926 S931 F932 L933	Y838-H929 AromaticContact CE2-NE2 3.67Å; Y838-H929 AromaticContact CZ-NE2 3.64Å; Y838-H929 PolarHBondContact OH-NE2 2.97Å; F912-H929 HydrophobicContact CE2-CB 4.09Å; V925-H929 PolarHBondContact O-N 2.94Å; V926-H929 PolarHBondContact O-N 3.1Å; H929-S931 VanDerWaalsContact C-N 3.33Å; H929-S931 PolarHBondContact O-N 3.41Å; H929-F932 WeakPolarHBondContact O-CB 3.47Å; H929-F932 PolarHBondContact O-N 2.99Å; H929-L933 PolarHBondContact O-N 3.43Å
930	R	91.3	Very high	88.5	Confident	128 Å²	128	37 Å²	37	48%	0.483	21%	0.207	S	C	.	.	H	α-helix	trans	-57.5	-44.9	172.9	-77.1	174.8	167.6	154.6	-2.1	111.9	D831 V926 S927 L933 S934	D831-R930 HydrophobicContact CB-CG 4.11Å; D831-R930 IonicContact OD1-CZ 4Å; D831-R930 IonicContact OD1-NE 3.05Å; D831-R930 PolarHBondContact OD1-NE 3.18Å; D831-R930 IonicContact OD1-NH2 2.98Å; D831-R930 PolarHBondContact OD1-NH2 3.01Å; V926-R930 WeakPolarHBondContact O-CB 3.28Å; V926-R930 WeakPolarHBondContact O-CG 3.37Å; V926-R930 PolarHBondContact O-N 2.69Å; S927-R930 PolarHBondContact O-N 3.07Å; R930-L933 PolarHBondContact O-N 3.11Å; R930-S934 VanDerWaalsContact O-CB 3.24Å; R930-S934 WeakPolarHBondContact O-CB 3.34Å; R930-S934 PolarHBondContact O-N 3.48Å
931	S	91.8	Very high	88.9	Confident	50 Å²	50	33.3 Å²	33.3	35%	0.35	18%	0.181	S	C	.	.	H	α-helix	trans	-59.7	-48.5	176.3	-60.8	0	0	0	0	111.8	S927 A928 H929 L933 S934 W935	S927-S931 VanDerWaalsContact O-CB 3.32Å; S927-S931 WeakPolarHBondContact O-CB 3.44Å; S927-S931 PolarHBondContact O-N 3.31Å; S927-S931 PolarHBondContact O-OG 3.38Å; A928-S931 PolarHBondContact O-N 3.36Å; H929-S931 VanDerWaalsContact C-N 3.33Å; H929-S931 PolarHBondContact O-N 3.41Å; S931-L933 PolarHBondContact O-N 3.47Å; S931-S934 PolarHBondContact O-N 3.16Å; S931-W935 VanDerWaalsContact O-CB 3.25Å; S931-W935 WeakPolarHBondContact O-CB 3.25Å; S931-W935 PolarHBondContact O-N 2.88Å
932	F	93	Very high	89.5	Confident	12 Å²	12	32.5 Å²	32.5	5%	0.053	18%	0.177	C	C	.	.	H	α-helix	trans	-57.8	-47.5	177.3	168.4	-97.2	0	0	0	112.4	M737 L745 Y838 A908 F912 A928 H929 I936	M737-F932 HydrophobicContact CE-CD1 4Å; M737-F932 HydrophobicContact CE-CE1 3.76Å; M737-F932 HydrophobicContact CE-CZ 4.35Å; L745-F932 HydrophobicContact CD1-CE1 4.23Å; L745-F932 HydrophobicContact CD1-CZ 3.81Å; Y838-F932 HydrophobicContact CE1-CE1 4.36Å; A908-F932 HydrophobicContact CB-CD2 3.88Å; A908-F932 HydrophobicContact CB-CE2 4.06Å; F912-F932 HydrophobicContact CB-CB 4.1Å; F912-F932 HydrophobicContact CB-CD2 3.61Å; F912-F932 HydrophobicContact CB-CE2 4.32Å; F912-F932 HydrophobicContact CB-CG 4.08Å; F912-F932 HydrophobicContact CD2-CB 3.88Å; F912-F932 HydrophobicContact CD2-CG 4.24Å; F912-F932 HydrophobicContact CG-CB 4.24Å; F912-F932 HydrophobicContact CG-CD2 4.12Å; F912-F932 HydrophobicContact CG-CG 4.21Å; A928-F932 WeakPolarHBondContact O-CB 3.49Å; A928-F932 PolarHBondContact O-N 2.89Å; H929-F932 WeakPolarHBondContact O-CB 3.47Å; H929-F932 PolarHBondContact O-N 2.99Å; F932-I936 HydrophobicContact CD1-CD1 4.39Å; F932-I936 HydrophobicContact CD2-CD1 3.88Å; F932-I936 HydrophobicContact CE1-CD1 3.96Å; F932-I936 HydrophobicContact CE2-CD1 3.39Å; F932-I936 HydrophobicContact CG-CD1 4.36Å; F932-I936 HydrophobicContact CZ-CD1 3.44Å; F932-I936 VanDerWaalsContact CZ-CD1 3.44Å; F932-I936 WeakPolarHBondContact O-CG1 3.32Å; F932-I936 PolarHBondContact O-N 3.34Å
933	L	92.8	Very high	89.9	Confident	11 Å²	11	32.5 Å²	32.5	6%	0.058	18%	0.179	C	C	.	.	H	α-helix	trans	-69.1	-43.6	-178.9	-176.5	66.5	0	0	0	112	A834 D837 Y838 L841 H929 R930 S931 T937	A834-L933 HydrophobicContact CB-CD2 3.66Å; D837-L933 HydrophobicContact CB-CD1 4.06Å; D837-L933 HydrophobicContact CB-CD2 4.15Å; D837-L933 HydrophobicContact CB-CG 4.32Å; Y838-L933 HydrophobicContact CD1-CD1 4.18Å; Y838-L933 HydrophobicContact CE1-CD1 4.04Å; Y838-L933 HydrophobicContact CE2-CD1 4.46Å; Y838-L933 HydrophobicContact CG-CD1 4.44Å; L841-L933 HydrophobicContact CD1-CD1 3.78Å; H929-L933 PolarHBondContact O-N 3.43Å; R930-L933 PolarHBondContact O-N 3.11Å; S931-L933 PolarHBondContact O-N 3.47Å; L933-T937 HydrophobicContact CD1-CG2 4.33Å; L933-T937 WeakPolarHBondContact O-CB 3.37Å; L933-T937 WeakPolarHBondContact O-CG2 3.48Å; L933-T937 PolarHBondContact O-N 3.45Å; L933-T937 PolarHBondContact O-OG1 2.93Å
934	S	92.1	Very high	90	Very high	76 Å²	76	40.1 Å²	40.1	53%	0.531	20%	0.203	S	C	.	.	H	α-helix	trans	-61.2	-46.7	177.1	-175.6	0	0	0	0	111.4	R930 S931 T937 D938	R930-S934 VanDerWaalsContact O-CB 3.24Å; R930-S934 WeakPolarHBondContact O-CB 3.34Å; R930-S934 PolarHBondContact O-N 3.48Å; S931-S934 PolarHBondContact O-N 3.16Å; S934-T937 PolarHBondContact O-N 3.13Å; S934-T937 PolarHBondContact O-OG1 3.46Å; S934-D938 WeakPolarHBondContact O-CB 3.46Å; S934-D938 PolarHBondContact O-N 3.48Å
935	W	92.7	Very high	89.9	Confident	65 Å²	65	45.9 Å²	45.9	25%	0.246	23%	0.225	C	C	.	.	H	α-helix	trans	-65.5	-43.3	179.8	-170.5	102.6	0	0	0	112.4	V904 R907 A908 S931 K939	V904-W935 HydrophobicContact CB-CZ3 4.1Å; V904-W935 HydrophobicContact CG1-CE3 4.15Å; V904-W935 HydrophobicContact CG1-CH2 4.33Å; V904-W935 HydrophobicContact CG1-CZ3 3.51Å; V904-W935 VanDerWaalsContact O-CZ3 3.3Å; V904-W935 WeakPolarHBondContact O-CZ3 3.43Å; R907-W935 HydrophobicContact CB-CH2 4.22Å; R907-W935 HydrophobicContact CG-CH2 4.43Å; A908-W935 HydrophobicContact CB-CD2 4.45Å; A908-W935 HydrophobicContact CB-CE3 3.58Å; A908-W935 HydrophobicContact CB-CH2 4.49Å; A908-W935 HydrophobicContact CB-CZ3 3.58Å; S931-W935 VanDerWaalsContact O-CB 3.25Å; S931-W935 WeakPolarHBondContact O-CB 3.25Å; S931-W935 PolarHBondContact O-N 2.88Å; W935-K939 HydrophobicContact CD2-CG 3.82Å; W935-K939 HydrophobicContact CE3-CB 4.36Å; W935-K939 HydrophobicContact CE3-CG 3.94Å; W935-K939 HydrophobicContact CG-CG 4.43Å; W935-K939 HydrophobicContact CH2-CG 4.19Å; W935-K939 HydrophobicContact CZ2-CD 4.43Å; W935-K939 HydrophobicContact CZ2-CG 4.05Å; W935-K939 HydrophobicContact CZ3-CB 4.38Å; W935-K939 HydrophobicContact CZ3-CG 4.14Å; W935-K939 WeakPolarHBondContact O-CB 3.31Å; W935-K939 VanDerWaalsContact O-CG 3.22Å; W935-K939 WeakPolarHBondContact O-CG 3.14Å; W935-K939 PolarHBondContact O-N 3.36Å
936	I	93.4	Very high	89.9	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-68.2	-42.7	177.6	-67.3	178	0	0	0	111.1	L745 L841 V904 I905 A908 F932 D938 L940	L745-I936 HydrophobicContact CD1-CD1 4.18Å; L841-I936 HydrophobicContact CD1-CG2 4.24Å; L841-I936 HydrophobicContact CD2-CG2 3.69Å; V904-I936 HydrophobicContact CG1-CG1 4.34Å; V904-I936 HydrophobicContact CG1-CG2 4.36Å; I905-I936 HydrophobicContact CG1-CG2 4.37Å; A908-I936 HydrophobicContact CB-CD1 3.75Å; A908-I936 HydrophobicContact CB-CG1 3.6Å; F932-I936 HydrophobicContact CD1-CD1 4.39Å; F932-I936 HydrophobicContact CD2-CD1 3.88Å; F932-I936 HydrophobicContact CE1-CD1 3.96Å; F932-I936 HydrophobicContact CE2-CD1 3.39Å; F932-I936 HydrophobicContact CG-CD1 4.36Å; F932-I936 HydrophobicContact CZ-CD1 3.44Å; F932-I936 VanDerWaalsContact CZ-CD1 3.44Å; F932-I936 WeakPolarHBondContact O-CG1 3.32Å; F932-I936 PolarHBondContact O-N 3.34Å; I936-D938 VanDerWaalsContact C-N 3.32Å; I936-D938 PolarHBondContact O-N 2.97Å; I936-L940 HydrophobicContact CG2-CD1 3.72Å; I936-L940 HydrophobicContact CG2-CG 4.19Å; I936-L940 WeakPolarHBondContact O-CB 3.48Å; I936-L940 WeakPolarHBondContact O-CG 3.47Å; I936-L940 PolarHBondContact O-N 2.78Å
937	T	92.5	Very high	90	Very high	19 Å²	19	50.5 Å²	50.5	12%	0.117	25%	0.248	C	C	.	.	H	α-helix	trans	-63.5	-38.6	178.1	49.8	0	0	0	0	111.7	D837 L841 L933 S934 L942 S943	D837-T937 HydrophobicContact CB-CG2 4.13Å; L841-T937 HydrophobicContact CD1-CG2 3.86Å; L841-T937 HydrophobicContact CD2-CG2 4.23Å; L841-T937 HydrophobicContact CG-CG2 4.04Å; L933-T937 HydrophobicContact CD1-CG2 4.33Å; L933-T937 WeakPolarHBondContact O-CB 3.37Å; L933-T937 WeakPolarHBondContact O-CG2 3.48Å; L933-T937 PolarHBondContact O-N 3.45Å; L933-T937 PolarHBondContact O-OG1 2.93Å; S934-T937 PolarHBondContact O-N 3.13Å; S934-T937 PolarHBondContact O-OG1 3.46Å; T937-L942 CarbonylContact O-C 3.53Å; T937-L942 VanDerWaalsContact O-CA 3.24Å; T937-L942 WeakPolarHBondContact O-CA 3.32Å; T937-L942 VanDerWaalsContact O-CB 3.3Å; T937-L942 WeakPolarHBondContact O-CB 3.42Å; T937-L942 PolarHBondContact O-N 3.31Å; T937-S943 PolarHBondContact O-N 2.8Å
938	D	90.9	Very high	90	Very high	41 Å²	41	49.8 Å²	49.8	22%	0.219	24%	0.243	C	C	.	.	H	α-helix	trans	-70.8	-46.5	175.5	179.7	57.9	0	0	0	113.8	S934 I936 L940 F941 S943 K946	S934-D938 WeakPolarHBondContact O-CB 3.46Å; S934-D938 PolarHBondContact O-N 3.48Å; I936-D938 VanDerWaalsContact C-N 3.32Å; I936-D938 PolarHBondContact O-N 2.97Å; D938-L940 VanDerWaalsContact C-N 3.25Å; D938-L940 PolarHBondContact O-N 2.84Å; D938-F941 PolarHBondContact O-N 3.36Å; D938-F941 VanDerWaalsContact O-N 3.15Å; D938-S943 VanDerWaalsContact OD1-CB 3.29Å; D938-S943 WeakPolarHBondContact OD1-CB 3.48Å; D938-S943 PolarHBondContact OD1-OG 3.38Å; D938-K946 WeakPolarHBondContact O-CD 3.22Å; D938-K946 PolarHBondContact O-NZ 3.04Å; D938-K946 WeakPolarHBondContact OD1-CD 3.46Å; D938-K946 VanDerWaalsContact OD1-CE 3.24Å; D938-K946 WeakPolarHBondContact OD1-CE 3.37Å; D938-K946 IonicContact OD1-NZ 3.14Å; D938-K946 PolarHBondContact OD1-NZ 3.37Å; D938-K946 IonicContact OD2-NZ 3.42Å; D938-K946 PolarHBondContact OD2-NZ 3.05Å
939	K	91.1	Very high	89.9	Confident	19 Å²	19	49.6 Å²	49.6	8%	0.083	24%	0.241	C	C	.	.	H	α-helix	trans	-69.4	-21.3	-179.9	-64.6	-74.4	175.5	172	0	113	Y899 V904 W935 D1049 D1051	Y899-K939 WeakPolarHBondContact CE1-O 3.34Å; Y899-K939 PolarHBondContact OH-O 3.35Å; Y899-K939 VanDerWaalsContact OH-O 3.04Å; V904-K939 HydrophobicContact CB-CB 4.48Å; V904-K939 HydrophobicContact CG1-CB 3.74Å; V904-K939 HydrophobicContact CG2-CB 3.86Å; W935-K939 HydrophobicContact CD2-CG 3.82Å; W935-K939 HydrophobicContact CE3-CB 4.36Å; W935-K939 HydrophobicContact CE3-CG 3.94Å; W935-K939 HydrophobicContact CG-CG 4.43Å; W935-K939 HydrophobicContact CH2-CG 4.19Å; W935-K939 HydrophobicContact CZ2-CD 4.43Å; W935-K939 HydrophobicContact CZ2-CG 4.05Å; W935-K939 HydrophobicContact CZ3-CB 4.38Å; W935-K939 HydrophobicContact CZ3-CG 4.14Å; W935-K939 WeakPolarHBondContact O-CB 3.31Å; W935-K939 VanDerWaalsContact O-CG 3.22Å; W935-K939 WeakPolarHBondContact O-CG 3.14Å; W935-K939 PolarHBondContact O-N 3.36Å; K939-D1049 WeakPolarHBondContact CE-OD2 3.49Å; K939-D1049 IonicContact NZ-OD1 3.65Å; K939-D1049 PolarHBondContact NZ-OD1 2.86Å; K939-D1049 IonicContact NZ-OD2 3.89Å; K939-D1049 PolarHBondContact NZ-OD2 3.31Å; K939-D1051 IonicContact NZ-OD2 3.47Å; K939-D1051 PolarHBondContact NZ-OD2 3.03Å
940	L	91.9	Very high	89.8	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.005	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	23	171.5	-60	-175.5	0	0	0	114.2	L841 F844 L845 A900 V904 I905 I936 D938 L942	L841-L940 HydrophobicContact CD2-CD1 3.74Å; F844-L940 HydrophobicContact CD1-CB 4.23Å; F844-L940 HydrophobicContact CD1-CD1 4.41Å; F844-L940 HydrophobicContact CE1-CB 3.92Å; F844-L940 HydrophobicContact CE1-CD1 4.44Å; F844-L940 HydrophobicContact CE1-CD2 4.36Å; F844-L940 HydrophobicContact CE1-CG 4.46Å; L845-L940 HydrophobicContact CD1-CD1 4.33Å; L845-L940 HydrophobicContact CD2-CD1 3.89Å; L845-L940 HydrophobicContact CG-CD1 4.28Å; A900-L940 HydrophobicContact CB-CD2 3.69Å; V904-L940 HydrophobicContact CB-CD2 4.02Å; V904-L940 HydrophobicContact CG1-CD2 3.83Å; V904-L940 HydrophobicContact CG1-CG 3.92Å; V904-L940 HydrophobicContact CG2-CD2 4.09Å; I905-L940 HydrophobicContact CD1-CD1 4.39Å; I905-L940 HydrophobicContact CG1-CD1 4.49Å; I936-L940 HydrophobicContact CG2-CD1 3.72Å; I936-L940 HydrophobicContact CG2-CG 4.19Å; I936-L940 WeakPolarHBondContact O-CB 3.48Å; I936-L940 WeakPolarHBondContact O-CG 3.47Å; I936-L940 PolarHBondContact O-N 2.78Å; D938-L940 VanDerWaalsContact C-N 3.25Å; D938-L940 PolarHBondContact O-N 2.84Å; L940-L942 PolarHBondContact O-N 3.4Å; L940-L942 VanDerWaalsContact O-N 3.12Å
941	F	89.8	Confident	89.8	Confident	3 Å²	3	50.7 Å²	50.7	1%	0.013	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	14.5	176.4	-36.3	-76.2	0	0	0	115.1	F844 Y899 D938 K946 L949 R950 L953 F1040 L1044 L1052 L1055	F844-F941 HydrophobicContact CZ-CD2 4.3Å; Y899-F941 HydrophobicContact CE1-CZ 4.3Å; D938-F941 PolarHBondContact O-N 3.36Å; D938-F941 VanDerWaalsContact O-N 3.15Å; F941-K946 HydrophobicContact CB-CB 4.23Å; F941-L949 HydrophobicContact CB-CB 4.49Å; F941-L949 HydrophobicContact CD1-CB 3.82Å; F941-L949 HydrophobicContact CD1-CD1 3.59Å; F941-L949 HydrophobicContact CD1-CG 4.34Å; F941-L949 HydrophobicContact CE1-CB 4.42Å; F941-L949 HydrophobicContact CE1-CD1 3.76Å; F941-L949 HydrophobicContact CG-CB 4.33Å; F941-R950 HydrophobicContact CB-CB 4.43Å; F941-R950 VanDerWaalsContact O-CZ 3.28Å; F941-R950 PolarHBondContact O-NE 2.95Å; F941-R950 PolarHBondContact O-NH2 3.37Å; F941-L953 HydrophobicContact CD2-CD2 3.86Å; F941-L953 HydrophobicContact CE2-CD2 3.98Å; F941-F1040 HydrophobicContact CZ-CZ 4.31Å; F941-L1044 HydrophobicContact CE1-CD1 4.02Å; F941-L1044 HydrophobicContact CZ-CD1 4.47Å; F941-L1052 HydrophobicContact CD1-CD1 4.46Å; F941-L1052 HydrophobicContact CD1-CD2 4.5Å; F941-L1052 HydrophobicContact CE1-CD1 4.09Å; F941-L1052 HydrophobicContact CE1-CD2 3.59Å; F941-L1052 HydrophobicContact CE1-CG 4.47Å; F941-L1052 HydrophobicContact CZ-CD2 4.05Å; F941-L1055 HydrophobicContact CZ-CD2 3.81Å
942	L	88.8	Confident	89.8	Confident	27 Å²	27	50.6 Å²	50.6	14%	0.141	25%	0.248	C	C	.	.			trans	-88.9	-10	-179.9	-56.9	-171.3	0	0	0	113.8	R840 L841 F844 T937 L940 R950	R840-L942 HydrophobicContact CB-CD1 4.28Å; L841-L942 HydrophobicContact CD2-CD1 3.66Å; L841-L942 HydrophobicContact CG-CD1 3.95Å; F844-L942 HydrophobicContact CB-CD1 4.3Å; F844-L942 HydrophobicContact CB-CD2 4.28Å; F844-L942 HydrophobicContact CD2-CD2 4.46Å; F844-L942 HydrophobicContact CG-CD2 4.26Å; T937-L942 CarbonylContact O-C 3.53Å; T937-L942 VanDerWaalsContact O-CA 3.24Å; T937-L942 WeakPolarHBondContact O-CA 3.32Å; T937-L942 VanDerWaalsContact O-CB 3.3Å; T937-L942 WeakPolarHBondContact O-CB 3.42Å; T937-L942 PolarHBondContact O-N 3.31Å; L940-L942 PolarHBondContact O-N 3.4Å; L940-L942 VanDerWaalsContact O-N 3.12Å; L942-R950 PolarHBondContact O-NH1 3.43Å; L942-R950 PolarHBondContact O-NH2 2.91Å
943	S	85.9	Confident	89.7	Confident	22 Å²	22	50.1 Å²	50.1	15%	0.154	25%	0.246	C	C	.	.	S	Bend	trans	-63.3	155.5	166.6	61.1	0	0	0	0	112.5	T937 D938 E945 K946 R950	T937-S943 PolarHBondContact O-N 2.8Å; D938-S943 VanDerWaalsContact OD1-CB 3.29Å; D938-S943 WeakPolarHBondContact OD1-CB 3.48Å; D938-S943 PolarHBondContact OD1-OG 3.38Å; S943-E945 VanDerWaalsContact C-N 3.26Å; S943-E945 PolarHBondContact O-N 3.48Å; S943-K946 PolarHBondContact O-N 2.8Å; S943-R950 PolarHBondContact O-NH2 3.34Å
944	R	83.5	Confident	89.7	Confident	233 Å²	233	56.7 Å²	56.7	88%	0.879	27%	0.27	S	S	*	.	S	Bend	trans	-63.8	-31.9	-176.6	-175.6	177.4	179.4	178.8	-0.2	112.7
945	E	83.5	Confident	89.7	Confident	172 Å²	172	56 Å²	56	80%	0.804	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-43	-177.2	-66.1	168.5	-162.8	0	0	111.4	S943 L947	S943-E945 VanDerWaalsContact C-N 3.26Å; S943-E945 PolarHBondContact O-N 3.48Å; E945-L947 PolarHBondContact O-N 3.29Å
946	K	86.8	Confident	89.7	Confident	10 Å²	10	53 Å²	53	4%	0.043	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	26.3	-177.3	-65.3	169.3	-178.9	172.7	0	113.8	D938 F941 S943 S948 L949 R950 D1049 L1052	D938-K946 WeakPolarHBondContact O-CD 3.22Å; D938-K946 PolarHBondContact O-NZ 3.04Å; D938-K946 WeakPolarHBondContact OD1-CD 3.46Å; D938-K946 VanDerWaalsContact OD1-CE 3.24Å; D938-K946 WeakPolarHBondContact OD1-CE 3.37Å; D938-K946 IonicContact OD1-NZ 3.14Å; D938-K946 PolarHBondContact OD1-NZ 3.37Å; D938-K946 IonicContact OD2-NZ 3.42Å; D938-K946 PolarHBondContact OD2-NZ 3.05Å; F941-K946 HydrophobicContact CB-CB 4.23Å; S943-K946 PolarHBondContact O-N 2.8Å; K946-S948 VanDerWaalsContact C-N 3.31Å; K946-S948 PolarHBondContact O-N 3.46Å; K946-L949 HydrophobicContact CG-CD1 4.48Å; K946-L949 PolarHBondContact O-N 3.1Å; K946-R950 PolarHBondContact O-N 3.26Å; K946-R950 VanDerWaalsContact O-N 3.1Å; K946-D1049 IonicContact NZ-OD2 2.82Å; K946-D1049 PolarHBondContact NZ-OD2 3.31Å; K946-L1052 HydrophobicContact CD-CD1 3.95Å
947	L	87.1	Confident	89.7	Confident	100 Å²	100	53.1 Å²	53.1	52%	0.524	25%	0.252	S	S	.	.	H	α-helix	trans	-60.8	-38.9	178.7	179	61.7	0	0	0	112.2	E945 R950 V951	E945-L947 PolarHBondContact O-N 3.29Å; L947-R950 PolarHBondContact O-N 3.07Å; L947-V951 HydrophobicContact CD1-CG2 4.34Å; L947-V951 WeakPolarHBondContact O-CG2 3.28Å; L947-V951 PolarHBondContact O-N 3.33Å
948	S	88.3	Confident	89.6	Confident	51 Å²	51	53.9 Å²	53.9	36%	0.357	26%	0.255	S	S	.	.	H	α-helix	trans	-54.3	-56.9	175.9	50.1	0	0	0	0	111.7	K946 R950 V951 H952	K946-S948 VanDerWaalsContact C-N 3.31Å; K946-S948 PolarHBondContact O-N 3.46Å; S948-R950 VanDerWaalsContact C-N 3.31Å; S948-R950 PolarHBondContact O-N 3.49Å; S948-V951 PolarHBondContact O-N 3.49Å; S948-H952 PolarHBondContact O-N 3.41Å; S948-H952 PolarHBondContact O-ND1 3.01Å
949	L	89.7	Confident	89.7	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-58.5	-41.2	177.1	-71	172.6	0	0	0	112.1	F941 K946 V951 H952 L953 F1040 V1043 L1044 E1047 L1052	F941-L949 HydrophobicContact CB-CB 4.49Å; F941-L949 HydrophobicContact CD1-CB 3.82Å; F941-L949 HydrophobicContact CD1-CD1 3.59Å; F941-L949 HydrophobicContact CD1-CG 4.34Å; F941-L949 HydrophobicContact CE1-CB 4.42Å; F941-L949 HydrophobicContact CE1-CD1 3.76Å; F941-L949 HydrophobicContact CG-CB 4.33Å; K946-L949 HydrophobicContact CG-CD1 4.48Å; K946-L949 PolarHBondContact O-N 3.1Å; L949-V951 PolarHBondContact O-N 3.32Å; L949-H952 PolarHBondContact O-N 3.21Å; L949-L953 VanDerWaalsContact O-CB 3.31Å; L949-L953 WeakPolarHBondContact O-CB 3.48Å; L949-L953 PolarHBondContact O-N 3.27Å; L949-F1040 HydrophobicContact CB-CE2 4.28Å; L949-F1040 HydrophobicContact CD2-CD2 3.99Å; L949-F1040 HydrophobicContact CD2-CE2 3.84Å; L949-V1043 HydrophobicContact CD2-CB 3.86Å; L949-V1043 HydrophobicContact CD2-CG1 3.54Å; L949-V1043 HydrophobicContact CG-CG1 3.82Å; L949-L1044 HydrophobicContact CD1-CD1 3.92Å; L949-L1044 HydrophobicContact CD2-CB 3.99Å; L949-L1044 HydrophobicContact CD2-CD1 3.88Å; L949-E1047 HydrophobicContact CD1-CG 3.78Å; L949-E1047 VanDerWaalsContact CD1-OE1 3.29Å; L949-E1047 WeakPolarHBondContact CD1-OE1 3.23Å; L949-L1052 HydrophobicContact CD1-CD1 4.06Å
950	R	89.8	Confident	89.9	Confident	74 Å²	74	51.9 Å²	51.9	28%	0.279	25%	0.246	S	C	.	.	H	α-helix	trans	-64.8	-38.4	179.6	-158.6	-164.5	-45.4	-162.8	9.6	112.9	F941 L942 S943 K946 L947 S948 R954	F941-R950 HydrophobicContact CB-CB 4.43Å; F941-R950 VanDerWaalsContact O-CZ 3.28Å; F941-R950 PolarHBondContact O-NE 2.95Å; F941-R950 PolarHBondContact O-NH2 3.37Å; L942-R950 PolarHBondContact O-NH1 3.43Å; L942-R950 PolarHBondContact O-NH2 2.91Å; S943-R950 PolarHBondContact O-NH2 3.34Å; K946-R950 PolarHBondContact O-N 3.26Å; K946-R950 VanDerWaalsContact O-N 3.1Å; L947-R950 PolarHBondContact O-N 3.07Å; S948-R950 VanDerWaalsContact C-N 3.31Å; S948-R950 PolarHBondContact O-N 3.49Å; R950-R954 VanDerWaalsContact O-CB 3.28Å; R950-R954 WeakPolarHBondContact O-CB 3.42Å; R950-R954 PolarHBondContact O-N 2.94Å
951	V	90.7	Very high	89.9	Confident	77 Å²	77	53.2 Å²	53.2	47%	0.467	25%	0.252	S	S	.	.	H	α-helix	trans	-65.1	-45.9	175.1	170.8	0	0	0	0	110.5	L947 S948 L949 R954 T955	L947-V951 HydrophobicContact CD1-CG2 4.34Å; L947-V951 WeakPolarHBondContact O-CG2 3.28Å; L947-V951 PolarHBondContact O-N 3.33Å; S948-V951 PolarHBondContact O-N 3.49Å; L949-V951 PolarHBondContact O-N 3.32Å; V951-R954 WeakPolarHBondContact O-CB 3.37Å; V951-R954 PolarHBondContact O-N 2.64Å; V951-T955 PolarHBondContact O-N 3.1Å; V951-T955 PolarHBondContact O-OG1 3.36Å
952	H	91.1	Very high	90	Very high	48 Å²	48	57.3 Å²	57.3	22%	0.222	27%	0.271	C	S	.	.	H	α-helix	trans	-65.6	-42.8	178.5	-72	73.1	0	0	0	112.5	S948 L949 R954 T955 I956 F1040	S948-H952 PolarHBondContact O-N 3.41Å; S948-H952 PolarHBondContact O-ND1 3.01Å; L949-H952 PolarHBondContact O-N 3.21Å; H952-R954 VanDerWaalsContact C-N 3.29Å; H952-R954 PolarHBondContact O-N 2.75Å; H952-T955 PolarHBondContact O-N 2.68Å; H952-T955 PolarHBondContact O-OG1 3.2Å; H952-I956 VanDerWaalsContact O-CG1 3.28Å; H952-I956 WeakPolarHBondContact O-CG1 3.49Å; H952-I956 PolarHBondContact O-N 3.05Å; H952-F1040 HydrophobicContact CB-CB 4.03Å; H952-F1040 HydrophobicContact CB-CD2 3.96Å
953	L	92.2	Very high	90.2	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.016	27%	0.265	C	S	.	.	H	α-helix	trans	-66.1	-34.3	175.9	178.7	53.3	0	0	0	111.7	F844 L896 F941 L949 L957 F1040	F844-L953 HydrophobicContact CE2-CD2 3.63Å; F844-L953 HydrophobicContact CE2-CG 4.37Å; F844-L953 HydrophobicContact CZ-CD2 3.67Å; L896-L953 HydrophobicContact CD1-CD1 3.5Å; F941-L953 HydrophobicContact CD2-CD2 3.86Å; F941-L953 HydrophobicContact CE2-CD2 3.98Å; L949-L953 VanDerWaalsContact O-CB 3.31Å; L949-L953 WeakPolarHBondContact O-CB 3.48Å; L949-L953 PolarHBondContact O-N 3.27Å; L953-L957 HydrophobicContact CD1-CD1 4.32Å; L953-L957 HydrophobicContact CD1-CG 4.29Å; L953-L957 HydrophobicContact CG-CD1 4.37Å; L953-L957 WeakPolarHBondContact O-CB 3.36Å; L953-L957 WeakPolarHBondContact O-CG 3.35Å; L953-L957 PolarHBondContact O-N 3.29Å; L953-F1040 HydrophobicContact CB-CD2 4.26Å; L953-F1040 HydrophobicContact CB-CE2 3.92Å
954	R	91.1	Very high	90.5	Very high	148 Å²	148	55.2 Å²	55.2	56%	0.558	26%	0.258	S	S	*	.	H	α-helix	trans	-63.9	-49.1	171.6	174.9	175.9	170.7	180	-5.1	111.7	R950 V951 H952 I956 L957 D958	R950-R954 VanDerWaalsContact O-CB 3.28Å; R950-R954 WeakPolarHBondContact O-CB 3.42Å; R950-R954 PolarHBondContact O-N 2.94Å; V951-R954 WeakPolarHBondContact O-CB 3.37Å; V951-R954 PolarHBondContact O-N 2.64Å; H952-R954 VanDerWaalsContact C-N 3.29Å; H952-R954 PolarHBondContact O-N 2.75Å; R954-I956 VanDerWaalsContact C-N 3.3Å; R954-I956 PolarHBondContact O-N 2.69Å; R954-L957 PolarHBondContact O-N 2.93Å; R954-L957 VanDerWaalsContact O-N 3.17Å; R954-D958 VanDerWaalsContact CG-OD2 3.31Å; R954-D958 WeakPolarHBondContact CG-OD2 3.39Å; R954-D958 IonicContact NE-OD2 2.75Å; R954-D958 PolarHBondContact NE-OD2 3.33Å; R954-D958 VanDerWaalsContact NE-OD2 3.14Å; R954-D958 WeakPolarHBondContact O-CB 3.46Å; R954-D958 VanDerWaalsContact O-CG 3.24Å; R954-D958 PolarHBondContact O-N 3.29Å
955	T	92.3	Very high	90.8	Very high	62 Å²	62	47.9 Å²	47.9	38%	0.38	24%	0.237	S	C	.	.	H	α-helix	trans	-63.3	-37.3	-179.9	52.6	0	0	0	0	111.9	V951 H952 D958 V959	V951-T955 PolarHBondContact O-N 3.1Å; V951-T955 PolarHBondContact O-OG1 3.36Å; H952-T955 PolarHBondContact O-N 2.68Å; H952-T955 PolarHBondContact O-OG1 3.2Å; T955-D958 PolarHBondContact O-N 2.95Å; T955-V959 WeakPolarHBondContact O-CB 3.49Å; T955-V959 WeakPolarHBondContact O-CG2 3.4Å; T955-V959 PolarHBondContact O-N 3.32Å
956	I	93.3	Very high	91.2	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-60.9	-48.2	171.9	-63.2	164.1	0	0	0	111.2	F892 H952 R954 D958 V959 V960 Y1033 A1036 A1037 F1040	F892-I956 HydrophobicContact CD1-CG2 4.18Å; F892-I956 HydrophobicContact CE1-CD1 4.06Å; F892-I956 HydrophobicContact CE1-CG2 3.66Å; F892-I956 HydrophobicContact CZ-CD1 3.67Å; F892-I956 HydrophobicContact CZ-CG2 4.31Å; H952-I956 VanDerWaalsContact O-CG1 3.28Å; H952-I956 WeakPolarHBondContact O-CG1 3.49Å; H952-I956 PolarHBondContact O-N 3.05Å; R954-I956 VanDerWaalsContact C-N 3.3Å; R954-I956 PolarHBondContact O-N 2.69Å; I956-D958 VanDerWaalsContact C-N 3.34Å; I956-D958 PolarHBondContact O-N 3.33Å; I956-V959 PolarHBondContact O-N 3.39Å; I956-V960 HydrophobicContact CG2-CG2 4.37Å; I956-V960 WeakPolarHBondContact O-CB 3.47Å; I956-V960 VanDerWaalsContact O-CG2 3.26Å; I956-V960 WeakPolarHBondContact O-CG2 3.33Å; I956-V960 PolarHBondContact O-N 3.04Å; I956-Y1033 HydrophobicContact CG2-CD2 4.31Å; I956-Y1033 HydrophobicContact CG2-CE2 4.07Å; I956-A1036 HydrophobicContact CG1-CB 3.59Å; I956-A1037 HydrophobicContact CD1-CB 4.48Å; I956-F1040 HydrophobicContact CD1-CB 3.62Å; I956-F1040 HydrophobicContact CD1-CD1 4.42Å; I956-F1040 HydrophobicContact CD1-CG 4Å
957	L	92.6	Very high	91.4	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.026	20%	0.201	C	C	.	.	H	α-helix	trans	-64	-39.7	179.1	-74.1	172.5	0	0	0	112.1	R847 L848 A851 L953 R954 V960 F961	R847-L957 HydrophobicContact CG-CD1 4.39Å; L848-L957 HydrophobicContact CD1-CD2 4.22Å; A851-L957 HydrophobicContact CB-CD2 4Å; L953-L957 HydrophobicContact CD1-CD1 4.32Å; L953-L957 HydrophobicContact CD1-CG 4.29Å; L953-L957 HydrophobicContact CG-CD1 4.37Å; L953-L957 WeakPolarHBondContact O-CB 3.36Å; L953-L957 WeakPolarHBondContact O-CG 3.35Å; L953-L957 PolarHBondContact O-N 3.29Å; R954-L957 PolarHBondContact O-N 2.93Å; R954-L957 VanDerWaalsContact O-N 3.17Å; L957-V960 PolarHBondContact O-N 3.26Å; L957-F961 HydrophobicContact CB-CE2 4.47Å; L957-F961 WeakPolarHBondContact O-CD2 3.49Å; L957-F961 PolarHBondContact O-N 3.29Å
958	D	92.1	Very high	91.6	Very high	34 Å²	34	37.3 Å²	37.3	18%	0.182	19%	0.188	C	C	.	.	H	α-helix	trans	-64.2	-45.4	178.2	-67.7	-13.5	0	0	0	110.2	R847 R954 T955 I956 V960 F961 E962	R847-D958 IonicContact CZ-OD1 3.91Å; R847-D958 IonicContact NE-OD1 2.69Å; R847-D958 PolarHBondContact NE-OD1 3.2Å; R847-D958 IonicContact NH2-OD1 3.66Å; R847-D958 PolarHBondContact NH2-OD1 3.37Å; R954-D958 VanDerWaalsContact CG-OD2 3.31Å; R954-D958 WeakPolarHBondContact CG-OD2 3.39Å; R954-D958 IonicContact NE-OD2 2.75Å; R954-D958 PolarHBondContact NE-OD2 3.33Å; R954-D958 VanDerWaalsContact NE-OD2 3.14Å; R954-D958 WeakPolarHBondContact O-CB 3.46Å; R954-D958 VanDerWaalsContact O-CG 3.24Å; R954-D958 PolarHBondContact O-N 3.29Å; T955-D958 PolarHBondContact O-N 2.95Å; I956-D958 VanDerWaalsContact C-N 3.34Å; I956-D958 PolarHBondContact O-N 3.33Å; D958-V960 VanDerWaalsContact C-N 3.33Å; D958-V960 PolarHBondContact O-N 2.89Å; D958-F961 PolarHBondContact O-N 3.47Å; D958-E962 PolarHBondContact O-N 3.03Å
959	V	93.3	Very high	91.6	Very high	17 Å²	17	38.6 Å²	38.6	10%	0.103	20%	0.197	C	C	.	.	H	α-helix	trans	-63	-33.6	172.1	172.7	0	0	0	0	112.8	T955 I956 E962 L963 I1029 E1032	T955-V959 WeakPolarHBondContact O-CB 3.49Å; T955-V959 WeakPolarHBondContact O-CG2 3.4Å; T955-V959 PolarHBondContact O-N 3.32Å; I956-V959 PolarHBondContact O-N 3.39Å; V959-E962 PolarHBondContact O-N 3Å; V959-L963 PolarHBondContact O-N 3.27Å; V959-I1029 HydrophobicContact CG1-CG2 4.1Å; V959-E1032 HydrophobicContact CG1-CB 4.37Å; V959-E1032 HydrophobicContact CG2-CB 4.16Å
960	V	93.8	Very high	91.6	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	20%	0.198	C	C	.	.	H	α-helix	trans	-68.5	-36.8	174.7	167.2	0	0	0	0	111.7	A851 M855 V889 I956 L957 D958 L963 I964 Y1033	A851-V960 HydrophobicContact CB-CG1 4.38Å; M855-V960 HydrophobicContact CG-CG1 4.28Å; M855-V960 HydrophobicContact SD-CG1 4.25Å; V889-V960 HydrophobicContact CG1-CB 4.45Å; V889-V960 HydrophobicContact CG1-CG1 3.96Å; V889-V960 HydrophobicContact CG1-CG2 3.63Å; I956-V960 HydrophobicContact CG2-CG2 4.37Å; I956-V960 WeakPolarHBondContact O-CB 3.47Å; I956-V960 VanDerWaalsContact O-CG2 3.26Å; I956-V960 WeakPolarHBondContact O-CG2 3.33Å; I956-V960 PolarHBondContact O-N 3.04Å; L957-V960 PolarHBondContact O-N 3.26Å; D958-V960 VanDerWaalsContact C-N 3.33Å; D958-V960 PolarHBondContact O-N 2.89Å; V960-L963 PolarHBondContact O-N 3.49Å; V960-I964 HydrophobicContact CG1-CD1 3.92Å; V960-I964 VanDerWaalsContact O-CD1 3.31Å; V960-I964 WeakPolarHBondContact O-CD1 3.21Å; V960-I964 WeakPolarHBondContact O-CG1 3.47Å; V960-I964 PolarHBondContact O-N 3.08Å; V960-Y1033 HydrophobicContact CG2-CD2 4.37Å; V960-Y1033 HydrophobicContact CG2-CE2 4.41Å
961	F	92	Very high	91.5	Very high	29 Å²	29	35.4 Å²	35.4	13%	0.127	19%	0.185	C	C	.	.	H	α-helix	trans	-68.5	-37.1	172.2	-70.7	-63.6	0	0	0	112.3	R847 H850 A851 L854 L957 D958 I964 D965	R847-F961 HydrophobicContact CG-CE2 3.65Å; R847-F961 HydrophobicContact CG-CZ 4.04Å; H850-F961 HydrophobicContact CB-CZ 4.5Å; H850-F961 AromaticContact ND1-CE1 3.64Å; A851-F961 HydrophobicContact CB-CE1 4.29Å; A851-F961 HydrophobicContact CB-CZ 4Å; L854-F961 HydrophobicContact CD1-CD1 4.31Å; L854-F961 HydrophobicContact CD1-CE1 4.16Å; L957-F961 HydrophobicContact CB-CE2 4.47Å; L957-F961 WeakPolarHBondContact O-CD2 3.49Å; L957-F961 PolarHBondContact O-N 3.29Å; D958-F961 PolarHBondContact O-N 3.47Å; F961-I964 HydrophobicContact CD1-CD1 4.26Å; F961-I964 PolarHBondContact O-N 3.46Å; F961-D965 PolarHBondContact O-N 3.49Å
962	E	91.8	Very high	91.4	Very high	89 Å²	89	35.8 Å²	35.8	42%	0.416	19%	0.185	S	C	.	.	H	α-helix	trans	-63.4	-40.9	173	-70.8	176.3	-163.5	0	0	112.1	D958 V959 I964 A966 W1028	D958-E962 PolarHBondContact O-N 3.03Å; V959-E962 PolarHBondContact O-N 3Å; E962-I964 VanDerWaalsContact C-N 3.31Å; E962-I964 PolarHBondContact O-N 3.28Å; E962-A966 VanDerWaalsContact O-CB 3.22Å; E962-A966 WeakPolarHBondContact O-CB 3.49Å; E962-A966 PolarHBondContact O-N 3.05Å; E962-W1028 WeakPolarHBondContact OE2-CZ3 3.32Å
963	L	93.4	Very high	91.2	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-57.7	-44.1	170.7	-179.8	61.6	0	0	0	111.3	L882 L885 Y886 V889 V959 V960 S967 L1026 I1029	L882-L963 HydrophobicContact CD1-CD1 4.25Å; L885-L963 HydrophobicContact CD2-CD1 3.79Å; L885-L963 HydrophobicContact CD2-CD2 4.02Å; L885-L963 HydrophobicContact CG-CD2 4.11Å; Y886-L963 HydrophobicContact CD1-CD2 4.36Å; Y886-L963 HydrophobicContact CE1-CD1 4.46Å; Y886-L963 HydrophobicContact CE1-CG 4.46Å; V889-L963 HydrophobicContact CG2-CD2 3.93Å; V959-L963 PolarHBondContact O-N 3.27Å; V960-L963 PolarHBondContact O-N 3.49Å; L963-S967 WeakPolarHBondContact O-CB 3.46Å; L963-S967 PolarHBondContact O-N 3.17Å; L963-S967 PolarHBondContact O-OG 3.48Å; L963-L1026 HydrophobicContact CD1-CD1 3.91Å; L963-I1029 HydrophobicContact CB-CG2 3.74Å; L963-I1029 HydrophobicContact CD1-CG2 3.9Å; L963-I1029 HydrophobicContact CG-CG2 4.32Å
964	I	92.4	Very high	91	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-67	-49.5	-178.7	-69.8	158.5	0	0	0	111.7	L854 M855 L858 V960 F961 E962 S967 N968	L854-I964 HydrophobicContact CB-CD1 3.83Å; L854-I964 HydrophobicContact CB-CG2 4.12Å; L854-I964 HydrophobicContact CD1-CD1 4.44Å; L854-I964 HydrophobicContact CD1-CG2 4.1Å; M855-I964 HydrophobicContact CG-CD1 4.13Å; M855-I964 HydrophobicContact SD-CD1 3.94Å; M855-I964 HydrophobicContact SD-CG1 3.73Å; L858-I964 HydrophobicContact CD2-CG1 4.12Å; V960-I964 HydrophobicContact CG1-CD1 3.92Å; V960-I964 VanDerWaalsContact O-CD1 3.31Å; V960-I964 WeakPolarHBondContact O-CD1 3.21Å; V960-I964 WeakPolarHBondContact O-CG1 3.47Å; V960-I964 PolarHBondContact O-N 3.08Å; F961-I964 HydrophobicContact CD1-CD1 4.26Å; F961-I964 PolarHBondContact O-N 3.46Å; E962-I964 VanDerWaalsContact C-N 3.31Å; E962-I964 PolarHBondContact O-N 3.28Å; I964-S967 PolarHBondContact O-N 3.46Å; I964-N968 VanDerWaalsContact CG2-ND2 3.35Å; I964-N968 WeakPolarHBondContact CG2-ND2 3.48Å; I964-N968 WeakPolarHBondContact O-CB 3.17Å; I964-N968 PolarHBondContact O-N 3.5Å; I964-N968 PolarHBondContact O-ND2 2.78Å
965	D	90.6	Very high	90.9	Very high	79 Å²	79	32.1 Å²	32.1	42%	0.422	18%	0.176	S	C	.	.	H	α-helix	trans	-67.3	-41.3	-177.9	-88.6	-18.9	0	0	0	111.3	K811 F961 S969	K811-D965 IonicContact NZ-OD1 3.83Å; K811-D965 PolarHBondContact NZ-OD1 2.99Å; K811-D965 IonicContact NZ-OD2 3.9Å; K811-D965 PolarHBondContact NZ-OD2 2.93Å; F961-D965 PolarHBondContact O-N 3.49Å; D965-S969 PolarHBondContact O-N 2.99Å; D965-S969 PolarHBondContact O-OG 2.83Å; D965-S969 VanDerWaalsContact O-OG 3.09Å
966	A	91	Very high	90.7	Very high	11 Å²	11	32.9 Å²	32.9	9%	0.091	18%	0.18	C	C	.	.	H	α-helix	trans	-64.3	-41.7	174.5	0	0	0	0	0	112.4	E962 S969 F970 F1022 I1029	E962-A966 VanDerWaalsContact O-CB 3.22Å; E962-A966 WeakPolarHBondContact O-CB 3.49Å; E962-A966 PolarHBondContact O-N 3.05Å; A966-S969 PolarHBondContact O-N 3.4Å; A966-F970 PolarHBondContact O-N 3.4Å; A966-F1022 HydrophobicContact CB-CE2 4.5Å; A966-I1029 HydrophobicContact CB-CD1 4.14Å
967	S	92	Very high	90.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-77.3	-32.4	-177.2	-54.5	0	0	0	0	113.4	Y886 L963 I964 S969 F970 D971	Y886-S967 WeakPolarHBondContact OH-CB 3.19Å; Y886-S967 PolarHBondContact OH-OG 3.12Å; L963-S967 WeakPolarHBondContact O-CB 3.46Å; L963-S967 PolarHBondContact O-N 3.17Å; L963-S967 PolarHBondContact O-OG 3.48Å; I964-S967 PolarHBondContact O-N 3.46Å; S967-S969 VanDerWaalsContact C-N 3.28Å; S967-S969 PolarHBondContact O-N 3.23Å; S967-F970 PolarHBondContact O-N 2.95Å; S967-D971 WeakPolarHBondContact O-CB 3.43Å; S967-D971 PolarHBondContact O-N 2.89Å
968	N	90.1	Very high	90.1	Very high	48 Å²	48	34.7 Å²	34.7	26%	0.257	19%	0.189	S	C	.	.	H	α-helix	trans	-57.9	-45.2	171	-85.4	-52.3	0	0	0	110.7	K861 I964 F970 D971 D972	K861-N968 PolarHBondContact NZ-O 2.89Å; I964-N968 VanDerWaalsContact CG2-ND2 3.35Å; I964-N968 WeakPolarHBondContact CG2-ND2 3.48Å; I964-N968 WeakPolarHBondContact O-CB 3.17Å; I964-N968 PolarHBondContact O-N 3.5Å; I964-N968 PolarHBondContact O-ND2 2.78Å; N968-F970 PolarHBondContact O-N 3.43Å; N968-D971 PolarHBondContact O-N 3.35Å; N968-D972 WeakPolarHBondContact O-CB 3.5Å; N968-D972 PolarHBondContact O-N 3.02Å
969	S	88.9	Confident	89.9	Confident	79 Å²	79	35.7 Å²	35.7	55%	0.552	20%	0.202	S	C	*	.	H	α-helix	trans	-62.4	-39.7	178.2	-60.9	0	0	0	0	112.7	D965 A966 S967 L973	D965-S969 PolarHBondContact O-N 2.99Å; D965-S969 PolarHBondContact O-OG 2.83Å; D965-S969 VanDerWaalsContact O-OG 3.09Å; A966-S969 PolarHBondContact O-N 3.4Å; S967-S969 VanDerWaalsContact C-N 3.28Å; S967-S969 PolarHBondContact O-N 3.23Å; S969-L973 PolarHBondContact O-N 3.42Å; S969-L973 VanDerWaalsContact O-N 3.13Å
970	F	88.7	Confident	89.6	Confident	6 Å²	6	37.5 Å²	37.5	3%	0.026	21%	0.209	C	C	.	.	H	α-helix	trans	-66.6	-45.1	173	171.7	-106.9	0	0	0	112.3	I875 L882 A966 S967 N968 D972 L973 L974 V1018 F1022	I875-F970 HydrophobicContact CG2-CE2 4.43Å; I875-F970 HydrophobicContact CG2-CZ 3.93Å; L882-F970 HydrophobicContact CD2-CD1 3.92Å; L882-F970 HydrophobicContact CD2-CE1 3.85Å; A966-F970 PolarHBondContact O-N 3.4Å; S967-F970 PolarHBondContact O-N 2.95Å; N968-F970 PolarHBondContact O-N 3.43Å; F970-D972 VanDerWaalsContact C-N 3.33Å; F970-D972 PolarHBondContact O-N 3.38Å; F970-L973 PolarHBondContact O-N 3.42Å; F970-L974 HydrophobicContact CD1-CD1 4.14Å; F970-L974 HydrophobicContact CE1-CD1 3.52Å; F970-L974 HydrophobicContact CE1-CG 4.3Å; F970-L974 HydrophobicContact CE2-CD1 4.13Å; F970-L974 HydrophobicContact CE2-CD2 4.36Å; F970-L974 HydrophobicContact CE2-CG 4.19Å; F970-L974 HydrophobicContact CZ-CD1 3.54Å; F970-L974 HydrophobicContact CZ-CD2 4.44Å; F970-L974 HydrophobicContact CZ-CG 4.1Å; F970-L974 WeakPolarHBondContact O-CG 3.31Å; F970-L974 PolarHBondContact O-N 2.91Å; F970-V1018 HydrophobicContact CD2-CG2 4.14Å; F970-V1018 HydrophobicContact CE2-CB 4.45Å; F970-V1018 HydrophobicContact CE2-CG1 3.84Å; F970-V1018 HydrophobicContact CE2-CG2 3.71Å; F970-F1022 HydrophobicContact CB-CD1 4.18Å; F970-F1022 HydrophobicContact CB-CD2 3.83Å; F970-F1022 HydrophobicContact CB-CE1 3.99Å; F970-F1022 HydrophobicContact CB-CE2 3.62Å; F970-F1022 HydrophobicContact CB-CG 4.1Å; F970-F1022 HydrophobicContact CB-CZ 3.71Å; F970-F1022 HydrophobicContact CD1-CD1 4.13Å; F970-F1022 AromaticContact CD1-CE1 3.49Å; F970-F1022 HydrophobicContact CD1-CE1 3.49Å; F970-F1022 VanDerWaalsContact CD1-CE1 3.49Å; F970-F1022 HydrophobicContact CD1-CE2 4.49Å; F970-F1022 AromaticContact CD1-CZ 3.7Å; F970-F1022 HydrophobicContact CD1-CZ 3.7Å; F970-F1022 HydrophobicContact CD2-CB 4.31Å; F970-F1022 AromaticContact CD2-CD1 3.32Å; F970-F1022 HydrophobicContact CD2-CD1 3.32Å; F970-F1022 HydrophobicContact CD2-CD2 4.35Å; F970-F1022 AromaticContact CD2-CE1 3.6Å; F970-F1022 HydrophobicContact CD2-CE1 3.6Å; F970-F1022 AromaticContact CD2-CG 3.74Å; F970-F1022 HydrophobicContact CD2-CG 3.74Å; F970-F1022 HydrophobicContact CD2-CZ 4.23Å; F970-F1022 HydrophobicContact CE1-CD1 4.31Å; F970-F1022 AromaticContact CE1-CE1 3.7Å; F970-F1022 HydrophobicContact CE1-CE1 3.7Å; F970-F1022 HydrophobicContact CE1-CZ 4.32Å; F970-F1022 AromaticContact CE2-CD1 3.56Å; F970-F1022 HydrophobicContact CE2-CD1 3.56Å; F970-F1022 AromaticContact CE2-CE1 3.82Å; F970-F1022 HydrophobicContact CE2-CE1 3.82Å; F970-F1022 HydrophobicContact CE2-CG 4.36Å; F970-F1022 AromaticContact CG-CD1 3.62Å; F970-F1022 HydrophobicContact CG-CD1 3.62Å; F970-F1022 HydrophobicContact CG-CD2 4.2Å; F970-F1022 AromaticContact CG-CE1 3.41Å; F970-F1022 HydrophobicContact CG-CE1 3.41Å; F970-F1022 VanDerWaalsContact CG-CE1 3.41Å; F970-F1022 HydrophobicContact CG-CE2 4.02Å; F970-F1022 HydrophobicContact CG-CG 4.01Å; F970-F1022 AromaticContact CG-CZ 3.62Å; F970-F1022 HydrophobicContact CG-CZ 3.62Å; F970-F1022 HydrophobicContact CZ-CD1 4.04Å; F970-F1022 AromaticContact CZ-CE1 3.85Å; F970-F1022 HydrophobicContact CZ-CE1 3.85Å
971	D	87.6	Confident	89.2	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.8	-33.3	177.1	-83.5	-1.5	0	0	0	112.1	K861 H862 I865 S967 N968 E975	K861-D971 HydrophobicContact CD-CB 3.62Å; K861-D971 HydrophobicContact CG-CB 4.22Å; H862-D971 IonicContact ND1-OD1 2.72Å; I865-D971 HydrophobicContact CD1-CB 3.54Å; I865-D971 WeakPolarHBondContact CD1-O 3.44Å; S967-D971 WeakPolarHBondContact O-CB 3.43Å; S967-D971 PolarHBondContact O-N 2.89Å; N968-D971 PolarHBondContact O-N 3.35Å; D971-E975 WeakPolarHBondContact O-CB 3.3Å; D971-E975 PolarHBondContact O-N 3.24Å
972	D	88.5	Confident	88.9	Confident	85 Å²	85	40.6 Å²	40.6	46%	0.455	23%	0.229	S	C	.	.	H	α-helix	trans	-67.4	-39.8	173.4	-76.1	-41.7	0	0	0	111.6	K861 N968 F970 T976	K861-D972 IonicContact NZ-OD1 2.81Å; K861-D972 PolarHBondContact NZ-OD1 2.89Å; K861-D972 IonicContact NZ-OD2 3.82Å; K861-D972 PolarHBondContact NZ-OD2 3.43Å; N968-D972 WeakPolarHBondContact O-CB 3.5Å; N968-D972 PolarHBondContact O-N 3.02Å; F970-D972 VanDerWaalsContact C-N 3.33Å; F970-D972 PolarHBondContact O-N 3.38Å; D972-T976 WeakPolarHBondContact O-CB 3.21Å; D972-T976 PolarHBondContact O-N 3.49Å; D972-T976 PolarHBondContact O-OG1 2.84Å
973	L	88.4	Confident	88.7	Confident	60 Å²	60	38.6 Å²	38.6	31%	0.314	23%	0.228	S	C	.	.	H	α-helix	trans	-64.9	-44.7	174.5	-178.2	63.9	0	0	0	111.3	S969 F970 T976 E977 L1014 T1017	S969-L973 PolarHBondContact O-N 3.42Å; S969-L973 VanDerWaalsContact O-N 3.13Å; F970-L973 PolarHBondContact O-N 3.42Å; L973-T976 PolarHBondContact O-N 2.85Å; L973-E977 PolarHBondContact O-N 2.95Å; L973-L1014 HydrophobicContact CD1-CD1 4.35Å; L973-L1014 HydrophobicContact CD2-CD1 3.74Å; L973-L1014 HydrophobicContact CG-CD1 3.7Å; L973-T1017 HydrophobicContact CD2-CG2 4.17Å
974	L	88.2	Confident	88.3	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.8	-42.7	175.3	-70.2	-172.8	0	0	0	112.8	I865 L869 I875 F970 T976 E977 L978 L1014	I865-L974 HydrophobicContact CG2-CB 4.24Å; I865-L974 HydrophobicContact CG2-CD1 3.98Å; L869-L974 HydrophobicContact CD1-CD1 4.37Å; I875-L974 HydrophobicContact CD1-CD2 3.76Å; I875-L974 HydrophobicContact CG2-CD1 4.41Å; I875-L974 HydrophobicContact CG2-CD2 4.17Å; F970-L974 HydrophobicContact CD1-CD1 4.14Å; F970-L974 HydrophobicContact CE1-CD1 3.52Å; F970-L974 HydrophobicContact CE1-CG 4.3Å; F970-L974 HydrophobicContact CE2-CD1 4.13Å; F970-L974 HydrophobicContact CE2-CD2 4.36Å; F970-L974 HydrophobicContact CE2-CG 4.19Å; F970-L974 HydrophobicContact CZ-CD1 3.54Å; F970-L974 HydrophobicContact CZ-CD2 4.44Å; F970-L974 HydrophobicContact CZ-CG 4.1Å; F970-L974 WeakPolarHBondContact O-CG 3.31Å; F970-L974 PolarHBondContact O-N 2.91Å; L974-T976 VanDerWaalsContact C-N 3.28Å; L974-T976 PolarHBondContact O-N 3.17Å; L974-E977 PolarHBondContact O-N 3.45Å; L974-L978 VanDerWaalsContact O-CB 3.28Å; L974-L978 WeakPolarHBondContact O-CB 3.49Å; L974-L978 WeakPolarHBondContact O-CG 3.24Å; L974-L978 PolarHBondContact O-N 2.79Å; L974-L1014 HydrophobicContact CD2-CD1 4.41Å; L974-L1014 HydrophobicContact CD2-CD2 4.49Å
975	E	87.7	Confident	87.9	Confident	63 Å²	63	45.7 Å²	45.7	29%	0.294	26%	0.263	S	S	.	.	H	α-helix	trans	-65	-34.7	177.8	-171.9	164.1	-179.8	0	0	111.4	K861 R864 D971 A979	K861-E975 WeakPolarHBondContact CE-OE2 3.42Å; R864-E975 IonicContact CZ-OE1 3.77Å; R864-E975 IonicContact CZ-OE2 2.77Å; R864-E975 IonicContact NH1-OE1 2.74Å; R864-E975 PolarHBondContact NH1-OE1 2.94Å; R864-E975 IonicContact NH1-OE2 2.82Å; R864-E975 IonicContact NH2-OE1 3.81Å; R864-E975 PolarHBondContact NH2-OE1 3.42Å; R864-E975 IonicContact NH2-OE2 3.66Å; R864-E975 PolarHBondContact NH2-OE2 3.31Å; D971-E975 WeakPolarHBondContact O-CB 3.3Å; D971-E975 PolarHBondContact O-N 3.24Å; E975-A979 VanDerWaalsContact O-CB 3.24Å; E975-A979 WeakPolarHBondContact O-CB 3.3Å; E975-A979 PolarHBondContact O-N 3.08Å
976	T	88.8	Confident	87.8	Confident	78 Å²	78	46.6 Å²	46.6	48%	0.479	27%	0.267	S	S	.	.	H	α-helix	trans	-66.2	-45.3	174.2	-59.1	0	0	0	0	112.6	D972 L973 L974 A979 Q980	D972-T976 WeakPolarHBondContact O-CB 3.21Å; D972-T976 PolarHBondContact O-N 3.49Å; D972-T976 PolarHBondContact O-OG1 2.84Å; L973-T976 PolarHBondContact O-N 2.85Å; L974-T976 VanDerWaalsContact C-N 3.28Å; L974-T976 PolarHBondContact O-N 3.17Å; T976-A979 PolarHBondContact O-N 3.49Å; T976-Q980 PolarHBondContact O-N 3.06Å; T976-Q980 VanDerWaalsContact O-N 3.1Å; T976-Q980 PolarHBondContact O-NE2 3.41Å
977	E	86.4	Confident	87.5	Confident	28 Å²	28	50.7 Å²	50.7	13%	0.131	29%	0.285	C	S	.	.	H	α-helix	trans	-74.2	-36.8	179.8	-71.6	-66.5	131.4	0	0	112.3	L973 L974 A979 Q980 I981 L1014	L973-E977 PolarHBondContact O-N 2.95Å; L974-E977 PolarHBondContact O-N 3.45Å; E977-A979 VanDerWaalsContact C-N 3.33Å; E977-A979 PolarHBondContact O-N 3.15Å; E977-Q980 WeakPolarHBondContact O-CB 3.27Å; E977-Q980 PolarHBondContact O-N 3.35Å; E977-Q980 PolarHBondContact OE1-NE2 3.02Å; E977-I981 WeakPolarHBondContact O-CG1 3.27Å; E977-I981 PolarHBondContact O-N 2.83Å; E977-L1014 HydrophobicContact CB-CD2 3.98Å; E977-L1014 HydrophobicContact CG-CD1 4.16Å; E977-L1014 HydrophobicContact CG-CD2 3.94Å; E977-L1014 HydrophobicContact CG-CG 4.42Å
978	L	86.8	Confident	87.1	Confident	15 Å²	15	53.9 Å²	53.9	8%	0.079	30%	0.3	C	S	.	.	H	α-helix	trans	-64.5	-37.8	171.7	-71.6	168.6	0	0	0	111.7	I865 H868 T871 L872 L974 I981 T982	I865-L978 HydrophobicContact CG2-CD1 3.94Å; H868-L978 HydrophobicContact CB-CD1 4.16Å; H868-L978 HydrophobicContact CB-CD2 4.12Å; T871-L978 WeakPolarHBondContact OG1-CD2 3.32Å; L872-L978 HydrophobicContact CD1-CD2 4.22Å; L974-L978 VanDerWaalsContact O-CB 3.28Å; L974-L978 WeakPolarHBondContact O-CB 3.49Å; L974-L978 WeakPolarHBondContact O-CG 3.24Å; L974-L978 PolarHBondContact O-N 2.79Å; L978-I981 HydrophobicContact CD2-CD1 4.49Å; L978-I981 PolarHBondContact O-N 3.4Å; L978-T982 WeakPolarHBondContact O-CG2 3.38Å; L978-T982 PolarHBondContact O-N 3.47Å; L978-T982 PolarHBondContact O-OG1 2.93Å
979	A	88.2	Confident	86.8	Confident	55 Å²	55	57 Å²	57	46%	0.455	31%	0.313	S	S	.	.	H	α-helix	trans	-61.9	-43.6	172.9	0	0	0	0	0	111.8	E975 T976 E977 T982 A983	E975-A979 VanDerWaalsContact O-CB 3.24Å; E975-A979 WeakPolarHBondContact O-CB 3.3Å; E975-A979 PolarHBondContact O-N 3.08Å; T976-A979 PolarHBondContact O-N 3.49Å; E977-A979 VanDerWaalsContact C-N 3.33Å; E977-A979 PolarHBondContact O-N 3.15Å; A979-T982 PolarHBondContact O-N 3.44Å; A979-T982 PolarHBondContact O-OG1 3.18Å; A979-A983 WeakPolarHBondContact O-CB 3.43Å; A979-A983 PolarHBondContact O-N 3.46Å
980	Q	86.8	Confident	86.6	Confident	56 Å²	56	58.1 Å²	58.1	26%	0.262	31%	0.312	S	S	.	.	H	α-helix	trans	-59.9	-47.3	173.4	-75	172.8	64.5	0	0	112.4	T976 E977 T982 A983 D984	T976-Q980 PolarHBondContact O-N 3.06Å; T976-Q980 VanDerWaalsContact O-N 3.1Å; T976-Q980 PolarHBondContact O-NE2 3.41Å; E977-Q980 WeakPolarHBondContact O-CB 3.27Å; E977-Q980 PolarHBondContact O-N 3.35Å; E977-Q980 PolarHBondContact OE1-NE2 3.02Å; Q980-T982 VanDerWaalsContact C-N 3.32Å; Q980-T982 PolarHBondContact O-N 3.03Å; Q980-A983 WeakPolarHBondContact O-CB 3.09Å; Q980-A983 PolarHBondContact O-N 2.93Å; Q980-D984 PolarHBondContact O-N 3.3Å
981	I	84.6	Confident	86.4	Confident	38 Å²	38	60.3 Å²	60.3	20%	0.195	32%	0.32	C	S	.	.	H	α-helix	trans	-56.8	-46.8	177.6	-68.5	163.6	0	0	0	110.5	T871 L872 E977 L978 A983 D984 E985	T871-I981 HydrophobicContact CG2-CG2 4.2Å; L872-I981 HydrophobicContact CD1-CD1 4.17Å; L872-I981 HydrophobicContact CD2-CD1 4.06Å; L872-I981 HydrophobicContact CG-CD1 4.12Å; E977-I981 WeakPolarHBondContact O-CG1 3.27Å; E977-I981 PolarHBondContact O-N 2.83Å; L978-I981 HydrophobicContact CD2-CD1 4.49Å; L978-I981 PolarHBondContact O-N 3.4Å; I981-A983 VanDerWaalsContact C-N 3.29Å; I981-A983 PolarHBondContact O-N 3Å; I981-D984 PolarHBondContact O-N 2.83Å; I981-E985 WeakPolarHBondContact O-CB 3.39Å; I981-E985 WeakPolarHBondContact O-CG 3.44Å; I981-E985 PolarHBondContact O-N 3.05Å
982	T	86.3	Confident	86.2	Confident	56 Å²	56	65.1 Å²	65.1	34%	0.344	35%	0.345	S	S	.	.	H	α-helix	trans	-67.4	-27.7	177	59.8	0	0	0	0	113.7	L978 A979 Q980 I986	L978-T982 WeakPolarHBondContact O-CG2 3.38Å; L978-T982 PolarHBondContact O-N 3.47Å; L978-T982 PolarHBondContact O-OG1 2.93Å; A979-T982 PolarHBondContact O-N 3.44Å; A979-T982 PolarHBondContact O-OG1 3.18Å; Q980-T982 VanDerWaalsContact C-N 3.32Å; Q980-T982 PolarHBondContact O-N 3.03Å; T982-I986 WeakPolarHBondContact O-CB 3.38Å; T982-I986 VanDerWaalsContact O-CD1 3.31Å; T982-I986 WeakPolarHBondContact O-CD1 3.3Å; T982-I986 WeakPolarHBondContact O-CG1 3.33Å; T982-I986 PolarHBondContact O-N 3.38Å; T982-I986 VanDerWaalsContact O-N 3.1Å
983	A	87.9	Confident	86	Confident	48 Å²	48	67.7 Å²	67.7	40%	0.397	36%	0.359	S	S	.	.	H	α-helix	trans	-72.6	-42.2	174.6	0	0	0	0	0	111.5	A979 Q980 I981 I986 M987	A979-A983 WeakPolarHBondContact O-CB 3.43Å; A979-A983 PolarHBondContact O-N 3.46Å; Q980-A983 WeakPolarHBondContact O-CB 3.09Å; Q980-A983 PolarHBondContact O-N 2.93Å; I981-A983 VanDerWaalsContact C-N 3.29Å; I981-A983 PolarHBondContact O-N 3Å; A983-I986 PolarHBondContact O-N 3.35Å; A983-M987 WeakPolarHBondContact O-CB 3.4Å; A983-M987 VanDerWaalsContact O-CG 3.31Å; A983-M987 WeakPolarHBondContact O-CG 3.32Å; A983-M987 PolarHBondContact O-N 3.37Å
984	D	85	Confident	85.9	Confident	71 Å²	71	68.1 Å²	68.1	38%	0.38	37%	0.371	S	S	.	.	H	α-helix	trans	-63.7	-45	175.4	-69.8	-13.5	0	0	0	110.5	Q980 I981 I986 M987 E988 R1010	Q980-D984 PolarHBondContact O-N 3.3Å; I981-D984 PolarHBondContact O-N 2.83Å; D984-I986 VanDerWaalsContact C-N 3.35Å; D984-I986 PolarHBondContact O-N 2.65Å; D984-M987 PolarHBondContact O-N 3.3Å; D984-E988 WeakPolarHBondContact O-CB 3.42Å; D984-E988 PolarHBondContact O-N 3.18Å; D984-R1010 IonicContact OD2-CZ 3.47Å; D984-R1010 IonicContact OD2-NH1 2.71Å; D984-R1010 IonicContact OD2-NH2 3.37Å; D984-R1010 PolarHBondContact OD2-NH2 3.38Å
985	E	84.4	Confident	85.3	Confident	84 Å²	84	71.6 Å²	71.6	39%	0.393	41%	0.408	S	S	.	.	H	α-helix	trans	-57.8	-41.7	172.9	-74.7	174.4	-179.1	0	0	112.7	I981 Q989	I981-E985 WeakPolarHBondContact O-CB 3.39Å; I981-E985 WeakPolarHBondContact O-CG 3.44Å; I981-E985 PolarHBondContact O-N 3.05Å; E985-Q989 WeakPolarHBondContact O-CG 3.49Å; E985-Q989 PolarHBondContact O-N 2.97Å
986	I	87.6	Confident	84.8	Confident	97 Å²	97	73.8 Å²	73.8	50%	0.497	42%	0.421	S	S	.	.	H	α-helix	trans	-68.5	-39.9	176.9	-73.4	166.2	0	0	0	110.9	T982 A983 D984 Q989 L990	T982-I986 WeakPolarHBondContact O-CB 3.38Å; T982-I986 VanDerWaalsContact O-CD1 3.31Å; T982-I986 WeakPolarHBondContact O-CD1 3.3Å; T982-I986 WeakPolarHBondContact O-CG1 3.33Å; T982-I986 PolarHBondContact O-N 3.38Å; T982-I986 VanDerWaalsContact O-N 3.1Å; A983-I986 PolarHBondContact O-N 3.35Å; D984-I986 VanDerWaalsContact C-N 3.35Å; D984-I986 PolarHBondContact O-N 2.65Å; I986-Q989 PolarHBondContact O-N 3.28Å; I986-L990 HydrophobicContact CG2-CD1 4.01Å; I986-L990 HydrophobicContact CG2-CG 4.49Å; I986-L990 WeakPolarHBondContact O-CB 3.38Å; I986-L990 VanDerWaalsContact O-CG 3.28Å; I986-L990 WeakPolarHBondContact O-CG 3.18Å; I986-L990 PolarHBondContact O-N 2.66Å
987	M	84.8	Confident	83.8	Confident	97 Å²	97	81.2 Å²	81.2	48%	0.478	44%	0.44	S	S	.	.	H	α-helix	trans	-67.4	-38.6	177.1	-74.3	-63.2	-65.4	0	0	112.1	A983 D984 L990 R991	A983-M987 WeakPolarHBondContact O-CB 3.4Å; A983-M987 VanDerWaalsContact O-CG 3.31Å; A983-M987 WeakPolarHBondContact O-CG 3.32Å; A983-M987 PolarHBondContact O-N 3.37Å; D984-M987 PolarHBondContact O-N 3.3Å; M987-L990 PolarHBondContact O-N 3.25Å; M987-L990 HydrophobicContact SD-CD1 4.2Å; M987-R991 VanDerWaalsContact O-CG 3.31Å; M987-R991 WeakPolarHBondContact O-CG 3.5Å; M987-R991 PolarHBondContact O-N 3.16Å
988	E	82.7	Confident	82.8	Confident	67 Å²	67	81.5 Å²	81.5	31%	0.313	45%	0.445	S	S	.	.	H	α-helix	trans	-59.8	-48.9	171.8	-172.7	177.3	-159.7	0	0	111	D984 L990 R991 L992 S998 V999	D984-E988 WeakPolarHBondContact O-CB 3.42Å; D984-E988 PolarHBondContact O-N 3.18Å; E988-L990 VanDerWaalsContact C-N 3.32Å; E988-L990 PolarHBondContact O-N 3.14Å; E988-R991 PolarHBondContact O-N 3.02Å; E988-L992 HydrophobicContact CG-CD1 4.16Å; E988-L992 WeakPolarHBondContact O-CG 3.34Å; E988-L992 PolarHBondContact O-N 2.83Å; E988-S998 VanDerWaalsContact CG-CB 3.49Å; E988-S998 WeakPolarHBondContact OE1-CB 3.3Å; E988-S998 PolarHBondContact OE1-OG 3.08Å; E988-V999 HydrophobicContact CG-CG2 4.02Å; E988-V999 WeakPolarHBondContact OE1-CG2 3.4Å
989	Q	84.1	Confident	81.8	Confident	114 Å²	114	82.8 Å²	82.8	53%	0.533	45%	0.454	S	S	.	.	H	α-helix	trans	-61.1	-38.5	176.1	-72.4	176.1	31.9	0	0	112.4	E985 I986 N993	E985-Q989 WeakPolarHBondContact O-CG 3.49Å; E985-Q989 PolarHBondContact O-N 2.97Å; I986-Q989 PolarHBondContact O-N 3.28Å; Q989-N993 WeakPolarHBondContact O-CB 3.49Å; Q989-N993 VanDerWaalsContact O-CG 3.29Å; Q989-N993 PolarHBondContact O-N 2.98Å; Q989-N993 PolarHBondContact O-ND2 2.85Å
990	L	86.1	Confident	81.1	Confident	102 Å²	102	84.3 Å²	84.3	53%	0.534	45%	0.454	S	S	.	.	H	α-helix	trans	-66.3	-36.2	176.3	-74	169.7	0	0	0	112.4	I986 M987 E988 A994	I986-L990 HydrophobicContact CG2-CD1 4.01Å; I986-L990 HydrophobicContact CG2-CG 4.49Å; I986-L990 WeakPolarHBondContact O-CB 3.38Å; I986-L990 VanDerWaalsContact O-CG 3.28Å; I986-L990 WeakPolarHBondContact O-CG 3.18Å; I986-L990 PolarHBondContact O-N 2.66Å; M987-L990 PolarHBondContact O-N 3.25Å; M987-L990 HydrophobicContact SD-CD1 4.2Å; E988-L990 VanDerWaalsContact C-N 3.32Å; E988-L990 PolarHBondContact O-N 3.14Å; L990-A994 WeakPolarHBondContact O-CB 3.28Å; L990-A994 PolarHBondContact O-N 2.91Å; L990-A994 VanDerWaalsContact O-N 3.1Å
991	R	83.5	Confident	80.7	Confident	53 Å²	53	88.7 Å²	88.7	20%	0.2	48%	0.479	C	S	.	.	H	α-helix	trans	-67.9	-47.2	174.7	-71.7	163	179	-171.4	-5.3	112.2	M987 E988 N993 A994 G995 L996 S998 E1003	M987-R991 VanDerWaalsContact O-CG 3.31Å; M987-R991 WeakPolarHBondContact O-CG 3.5Å; M987-R991 PolarHBondContact O-N 3.16Å; E988-R991 PolarHBondContact O-N 3.02Å; R991-N993 VanDerWaalsContact C-N 3.31Å; R991-N993 PolarHBondContact O-N 2.69Å; R991-A994 CarbonylContact O-C 3.59Å; R991-A994 WeakPolarHBondContact O-CA 3.38Å; R991-A994 WeakPolarHBondContact O-CB 3.5Å; R991-A994 PolarHBondContact O-N 2.73Å; R991-G995 PolarHBondContact O-N 3.05Å; R991-G995 VanDerWaalsContact O-N 3.12Å; R991-L996 HydrophobicContact CB-CB 4.07Å; R991-L996 PolarHBondContact O-N 3.5Å; R991-S998 WeakPolarHBondContact CD-O 3.45Å; R991-S998 PolarHBondContact NH1-O 3.45Å; R991-S998 VanDerWaalsContact NH1-O 3.09Å; R991-E1003 IonicContact CZ-OE1 3.13Å; R991-E1003 IonicContact CZ-OE2 3.91Å; R991-E1003 IonicContact NH1-OE1 3.72Å; R991-E1003 IonicContact NH1-OE2 2.87Å; R991-E1003 PolarHBondContact NH1-OE2 3.31Å; R991-E1003 IonicContact NH2-OE1 3.71Å; R991-E1003 PolarHBondContact NH2-OE1 2.79Å; R991-E1003 IonicContact NH2-OE2 2.74Å; R991-E1003 PolarHBondContact NH2-OE2 3.38Å
992	L	83.9	Confident	80.4	Confident	100 Å²	100	93.9 Å²	93.9	52%	0.524	50%	0.503	S	S	.	.	H	α-helix	trans	-57	-45.1	175.2	-73.7	169	0	0	0	111.3	E988 A994 G995	E988-L992 HydrophobicContact CG-CD1 4.16Å; E988-L992 WeakPolarHBondContact O-CG 3.34Å; E988-L992 PolarHBondContact O-N 2.83Å; L992-A994 PolarHBondContact O-N 3.15Å; L992-G995 PolarHBondContact O-N 2.96Å; L992-G995 VanDerWaalsContact O-N 3.15Å
993	N	84.8	Confident	80.1	Confident	139 Å²	139	94.2 Å²	94.2	74%	0.743	50%	0.501	S	S	*	.	H	α-helix	trans	-66.1	-21.3	174.8	-75.2	-52.6	0	0	0	113.8	Q989 R991	Q989-N993 WeakPolarHBondContact O-CB 3.49Å; Q989-N993 VanDerWaalsContact O-CG 3.29Å; Q989-N993 PolarHBondContact O-N 2.98Å; Q989-N993 PolarHBondContact O-ND2 2.85Å; R991-N993 VanDerWaalsContact C-N 3.31Å; R991-N993 PolarHBondContact O-N 2.69Å
994	A	85.2	Confident	79.7	Confident	69 Å²	69	95.7 Å²	95.7	57%	0.57	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	0.3	175.1	0	0	0	0	0	113.7	L990 R991 L992 L996	L990-A994 WeakPolarHBondContact O-CB 3.28Å; L990-A994 PolarHBondContact O-N 2.91Å; L990-A994 VanDerWaalsContact O-N 3.1Å; R991-A994 CarbonylContact O-C 3.59Å; R991-A994 WeakPolarHBondContact O-CA 3.38Å; R991-A994 WeakPolarHBondContact O-CB 3.5Å; R991-A994 PolarHBondContact O-N 2.73Å; L992-A994 PolarHBondContact O-N 3.15Å; A994-L996 VanDerWaalsContact C-N 3.29Å; A994-L996 HydrophobicContact CB-CD1 4.26Å; A994-L996 HydrophobicContact CB-CG 4.38Å; A994-L996 PolarHBondContact O-N 3.28Å
995	G	76.5	Confident	79.7	Confident	74 Å²	74	96.6 Å²	96.6	76%	0.763	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	18.4	-175.6	0	0	0	0	0	114.4	R991 L992	R991-G995 PolarHBondContact O-N 3.05Å; R991-G995 VanDerWaalsContact O-N 3.12Å; L992-G995 PolarHBondContact O-N 2.96Å; L992-G995 VanDerWaalsContact O-N 3.15Å
996	L	76	Confident	79.7	Confident	109 Å²	109	96.9 Å²	96.9	57%	0.571	51%	0.51	S	S	*	.	S	Bend	trans	-93.1	157.6	174.5	-66	169.4	0	0	0	110.6	R991 A994	R991-L996 HydrophobicContact CB-CB 4.07Å; R991-L996 PolarHBondContact O-N 3.5Å; A994-L996 VanDerWaalsContact C-N 3.29Å; A994-L996 HydrophobicContact CB-CD1 4.26Å; A994-L996 HydrophobicContact CB-CG 4.38Å; A994-L996 PolarHBondContact O-N 3.28Å
997	W	69.1	Low	79.5	Confident	233 Å²	233	93.7 Å²	93.7	88%	0.883	50%	0.498	S	S	*	.			trans	-59	144.2	169.7	-66.1	94	0	0	0	110.5
998	S	64	Low	79.5	Confident	35 Å²	35	92.3 Å²	92.3	25%	0.245	50%	0.495	C	S	.	.	S	Bend	trans	-73.1	-48.3	-163.5	83.1	0	0	0	0	112.1	E988 R991	E988-S998 VanDerWaalsContact CG-CB 3.49Å; E988-S998 WeakPolarHBondContact OE1-CB 3.3Å; E988-S998 PolarHBondContact OE1-OG 3.08Å; R991-S998 WeakPolarHBondContact CD-O 3.45Å; R991-S998 PolarHBondContact NH1-O 3.45Å; R991-S998 VanDerWaalsContact NH1-O 3.09Å
999	V	67.1	Low	79.7	Confident	42 Å²	42	93.6 Å²	93.6	26%	0.255	50%	0.5	S	S	.	.			trans	-137.9	143.4	178	-164.7	0	0	0	0	110.4	E988 E1003 N1004	E988-V999 HydrophobicContact CG-CG2 4.02Å; E988-V999 WeakPolarHBondContact OE1-CG2 3.4Å; V999-E1003 HydrophobicContact CG1-CB 3.86Å; V999-N1004 HydrophobicContact CG1-CB 4.41Å
1000	N	73.3	Confident	79.9	Confident	87 Å²	87	91.3 Å²	91.3	47%	0.465	49%	0.486	S	S	.	.			trans	-86	147.9	169.3	-59.2	-61.7	0	0	0	110.6	E1002 E1003 N1004	N1000-E1002 PolarHBondContact O-N 3.37Å; N1000-E1002 VanDerWaalsContact O-N 3.14Å; N1000-E1003 HydrophobicContact CB-CG 4.14Å; N1000-E1003 WeakPolarHBondContact CB-OE2 3.34Å; N1000-E1003 PolarHBondContact N-OE2 3.08Å; N1000-E1003 VanDerWaalsContact ND2-CD 3.33Å; N1000-E1003 PolarHBondContact ND2-OE1 2.94Å; N1000-E1003 PolarHBondContact ND2-OE2 3.32Å; N1000-E1003 WeakPolarHBondContact O-CB 3.48Å; N1000-E1003 PolarHBondContact O-N 2.88Å; N1000-N1004 PolarHBondContact O-N 3.3Å; N1000-N1004 VanDerWaalsContact O-N 3.08Å
1001	D	77.6	Confident	79.8	Confident	147 Å²	147	90.5 Å²	90.5	79%	0.786	48%	0.476	S	S	*	.	H	α-helix	trans	-56.1	-34.6	179.3	-68.6	-39.4	0	0	0	113.3	E1003 L1005	D1001-E1003 VanDerWaalsContact C-N 3.35Å; D1001-L1005 VanDerWaalsContact O-CB 3.3Å; D1001-L1005 WeakPolarHBondContact O-CB 3.4Å; D1001-L1005 PolarHBondContact O-N 2.86Å
1002	E	79.6	Confident	80	Confident	147 Å²	147	93 Å²	93	69%	0.687	49%	0.49	S	S	*	.	H	α-helix	trans	-63.5	-38.1	174.7	-176.7	171.7	-159.7	0	0	112.5	N1000 L1005 L1006	N1000-E1002 PolarHBondContact O-N 3.37Å; N1000-E1002 VanDerWaalsContact O-N 3.14Å; E1002-L1005 PolarHBondContact O-N 3Å; E1002-L1006 HydrophobicContact CG-CD1 4.16Å; E1002-L1006 WeakPolarHBondContact O-CB 3.46Å; E1002-L1006 VanDerWaalsContact O-CG 3.22Å; E1002-L1006 WeakPolarHBondContact O-CG 3.31Å; E1002-L1006 PolarHBondContact O-N 2.89Å
1003	E	78.4	Confident	80.2	Confident	64 Å²	64	94.4 Å²	94.4	30%	0.299	49%	0.494	S	S	.	.	H	α-helix	trans	-74.5	-40.5	-179.5	-64.4	168.8	148.4	0	0	111.2	R991 V999 N1000 D1001 L1005 L1006 A1007	R991-E1003 IonicContact CZ-OE1 3.13Å; R991-E1003 IonicContact CZ-OE2 3.91Å; R991-E1003 IonicContact NH1-OE1 3.72Å; R991-E1003 IonicContact NH1-OE2 2.87Å; R991-E1003 PolarHBondContact NH1-OE2 3.31Å; R991-E1003 IonicContact NH2-OE1 3.71Å; R991-E1003 PolarHBondContact NH2-OE1 2.79Å; R991-E1003 IonicContact NH2-OE2 2.74Å; R991-E1003 PolarHBondContact NH2-OE2 3.38Å; V999-E1003 HydrophobicContact CG1-CB 3.86Å; N1000-E1003 HydrophobicContact CB-CG 4.14Å; N1000-E1003 WeakPolarHBondContact CB-OE2 3.34Å; N1000-E1003 PolarHBondContact N-OE2 3.08Å; N1000-E1003 VanDerWaalsContact ND2-CD 3.33Å; N1000-E1003 PolarHBondContact ND2-OE1 2.94Å; N1000-E1003 PolarHBondContact ND2-OE2 3.32Å; N1000-E1003 WeakPolarHBondContact O-CB 3.48Å; N1000-E1003 PolarHBondContact O-N 2.88Å; D1001-E1003 VanDerWaalsContact C-N 3.35Å; E1003-L1005 VanDerWaalsContact C-N 3.34Å; E1003-L1006 PolarHBondContact O-N 2.83Å; E1003-A1007 WeakPolarHBondContact O-CB 3.3Å; E1003-A1007 PolarHBondContact O-N 2.83Å
1004	N	80.3	Confident	80.4	Confident	78 Å²	78	88.1 Å²	88.1	42%	0.417	46%	0.46	S	S	.	.	H	α-helix	trans	-57.3	-48.4	169.2	-85.9	-41.1	0	0	0	110.7	V999 N1000 L1006 A1007 T1008	V999-N1004 HydrophobicContact CG1-CB 4.41Å; N1000-N1004 PolarHBondContact O-N 3.3Å; N1000-N1004 VanDerWaalsContact O-N 3.08Å; N1004-L1006 VanDerWaalsContact C-N 3.33Å; N1004-L1006 PolarHBondContact O-N 3.02Å; N1004-A1007 PolarHBondContact O-N 3.44Å; N1004-T1008 WeakPolarHBondContact O-CB 3.47Å; N1004-T1008 PolarHBondContact O-N 2.87Å; N1004-T1008 PolarHBondContact O-OG1 2.86Å
1005	L	84.2	Confident	80.5	Confident	91 Å²	91	85.7 Å²	85.7	48%	0.476	44%	0.437	S	S	.	.	H	α-helix	trans	-63.1	-37.2	178.4	-177.9	62	0	0	0	112.6	D1001 E1002 E1003 K1009	D1001-L1005 VanDerWaalsContact O-CB 3.3Å; D1001-L1005 WeakPolarHBondContact O-CB 3.4Å; D1001-L1005 PolarHBondContact O-N 2.86Å; E1002-L1005 PolarHBondContact O-N 3Å; E1003-L1005 VanDerWaalsContact C-N 3.34Å; L1005-K1009 HydrophobicContact CG-CD 4.35Å; L1005-K1009 WeakPolarHBondContact O-CB 3.48Å; L1005-K1009 WeakPolarHBondContact O-CD 3.18Å; L1005-K1009 VanDerWaalsContact O-CG 3.26Å; L1005-K1009 WeakPolarHBondContact O-CG 3.14Å; L1005-K1009 PolarHBondContact O-N 3.15Å
1006	L	85.9	Confident	81.1	Confident	89 Å²	89	86.1 Å²	86.1	47%	0.466	42%	0.422	S	S	.	.	H	α-helix	trans	-66.8	-47.8	173.8	-75.4	167.1	0	0	0	111.3	E1002 E1003 N1004 T1008 K1009 R1010	E1002-L1006 HydrophobicContact CG-CD1 4.16Å; E1002-L1006 WeakPolarHBondContact O-CB 3.46Å; E1002-L1006 VanDerWaalsContact O-CG 3.22Å; E1002-L1006 WeakPolarHBondContact O-CG 3.31Å; E1002-L1006 PolarHBondContact O-N 2.89Å; E1003-L1006 PolarHBondContact O-N 2.83Å; N1004-L1006 VanDerWaalsContact C-N 3.33Å; N1004-L1006 PolarHBondContact O-N 3.02Å; L1006-T1008 PolarHBondContact O-N 3.27Å; L1006-K1009 PolarHBondContact O-N 3.23Å; L1006-R1010 WeakPolarHBondContact O-CG 3.34Å; L1006-R1010 PolarHBondContact O-N 2.89Å
1007	A	82.4	Confident	81.7	Confident	31 Å²	31	83.8 Å²	83.8	26%	0.256	41%	0.413	S	S	.	.	H	α-helix	trans	-61.5	-41.1	177.7	0	0	0	0	0	112.2	E1003 N1004 R1010 R1011	E1003-A1007 WeakPolarHBondContact O-CB 3.3Å; E1003-A1007 PolarHBondContact O-N 2.83Å; N1004-A1007 PolarHBondContact O-N 3.44Å; A1007-R1010 PolarHBondContact O-N 3.34Å; A1007-R1011 WeakPolarHBondContact O-CB 3.27Å; A1007-R1011 PolarHBondContact O-N 3.13Å
1008	T	84.4	Confident	82.7	Confident	68 Å²	68	73 Å²	73	42%	0.417	37%	0.373	S	S	.	.	H	α-helix	trans	-58.9	-48.7	172.1	-56.4	0	0	0	0	111.1	N1004 L1006 R1010 R1011 E1012	N1004-T1008 WeakPolarHBondContact O-CB 3.47Å; N1004-T1008 PolarHBondContact O-N 2.87Å; N1004-T1008 PolarHBondContact O-OG1 2.86Å; L1006-T1008 PolarHBondContact O-N 3.27Å; T1008-R1010 PolarHBondContact O-N 3.14Å; T1008-R1011 PolarHBondContact O-N 2.93Å; T1008-E1012 HydrophobicContact CG2-CG 4.4Å; T1008-E1012 WeakPolarHBondContact O-CG 3.5Å; T1008-E1012 PolarHBondContact O-N 3.11Å
1009	K	88.6	Confident	83.8	Confident	93 Å²	93	78.6 Å²	78.6	40%	0.404	39%	0.388	S	S	.	.	H	α-helix	trans	-61.4	-39.2	177.9	-75.2	168.4	-179.4	172.1	0	113.2	L1005 L1006 E1012 Q1013	L1005-K1009 HydrophobicContact CG-CD 4.35Å; L1005-K1009 WeakPolarHBondContact O-CB 3.48Å; L1005-K1009 WeakPolarHBondContact O-CD 3.18Å; L1005-K1009 VanDerWaalsContact O-CG 3.26Å; L1005-K1009 WeakPolarHBondContact O-CG 3.14Å; L1005-K1009 PolarHBondContact O-N 3.15Å; L1006-K1009 PolarHBondContact O-N 3.23Å; K1009-E1012 PolarHBondContact O-N 2.97Å; K1009-Q1013 WeakPolarHBondContact O-CB 3.48Å; K1009-Q1013 WeakPolarHBondContact O-CG 3.38Å; K1009-Q1013 PolarHBondContact O-N 3.05Å
1010	R	86.5	Confident	84.8	Confident	67 Å²	67	79.9 Å²	79.9	25%	0.253	40%	0.399	S	S	.	.	H	α-helix	trans	-63	-45.3	174.7	-64.4	-170.6	-35.8	-105.4	8.3	111	D984 L1006 A1007 T1008 E1012 Q1013 L1014	D984-R1010 IonicContact OD2-CZ 3.47Å; D984-R1010 IonicContact OD2-NH1 2.71Å; D984-R1010 IonicContact OD2-NH2 3.37Å; D984-R1010 PolarHBondContact OD2-NH2 3.38Å; L1006-R1010 WeakPolarHBondContact O-CG 3.34Å; L1006-R1010 PolarHBondContact O-N 2.89Å; A1007-R1010 PolarHBondContact O-N 3.34Å; T1008-R1010 PolarHBondContact O-N 3.14Å; R1010-E1012 PolarHBondContact O-N 3.46Å; R1010-Q1013 PolarHBondContact O-N 2.82Å; R1010-L1014 WeakPolarHBondContact O-CB 3.41Å; R1010-L1014 PolarHBondContact O-N 3.02Å
1011	R	84.4	Confident	85.5	Confident	84 Å²	84	80.8 Å²	80.8	32%	0.317	40%	0.404	S	S	.	.	H	α-helix	trans	-62.6	-40.3	175.9	179.9	175.8	176.5	143.4	-5.6	112.9	T871 L872 E874 A1007 T1008 L1014 I1015	T871-R1011 PolarHBondContact O-NH1 3.45Å; T871-R1011 PolarHBondContact O-NH2 3.26Å; L872-R1011 HydrophobicContact CD2-CG 4.08Å; E874-R1011 VanDerWaalsContact CD-NH2 3.26Å; E874-R1011 IonicContact OE1-CZ 3.55Å; E874-R1011 IonicContact OE1-NE 3.32Å; E874-R1011 IonicContact OE1-NH2 2.75Å; E874-R1011 PolarHBondContact OE1-NH2 3.14Å; E874-R1011 IonicContact OE2-CZ 3.64Å; E874-R1011 IonicContact OE2-NE 3.11Å; E874-R1011 IonicContact OE2-NH2 2.95Å; E874-R1011 PolarHBondContact OE2-NH2 2.76Å; A1007-R1011 WeakPolarHBondContact O-CB 3.27Å; A1007-R1011 PolarHBondContact O-N 3.13Å; T1008-R1011 PolarHBondContact O-N 2.93Å; R1011-L1014 PolarHBondContact O-N 3.37Å; R1011-I1015 HydrophobicContact CG-CD1 3.86Å; R1011-I1015 WeakPolarHBondContact O-CB 3.5Å; R1011-I1015 WeakPolarHBondContact O-CD1 3.37Å; R1011-I1015 WeakPolarHBondContact O-CG1 3.5Å; R1011-I1015 PolarHBondContact O-N 3.39Å
1012	E	88.1	Confident	86.1	Confident	107 Å²	107	74.6 Å²	74.6	50%	0.5	37%	0.37	S	S	.	.	H	α-helix	trans	-63.5	-48	173.8	-72.5	173.3	154.6	0	0	111.2	T1008 K1009 R1010 L1014 I1015 D1016	T1008-E1012 HydrophobicContact CG2-CG 4.4Å; T1008-E1012 WeakPolarHBondContact O-CG 3.5Å; T1008-E1012 PolarHBondContact O-N 3.11Å; K1009-E1012 PolarHBondContact O-N 2.97Å; R1010-E1012 PolarHBondContact O-N 3.46Å; E1012-L1014 VanDerWaalsContact C-N 3.34Å; E1012-L1014 PolarHBondContact O-N 3.4Å; E1012-I1015 PolarHBondContact O-N 3.46Å; E1012-D1016 PolarHBondContact O-N 2.92Å
1013	Q	88.5	Confident	86.6	Confident	129 Å²	129	68 Å²	68	60%	0.603	34%	0.341	S	S	*	.	H	α-helix	trans	-60	-40.4	176.2	-73.1	170.1	3.8	0	0	112.6	K1009 R1010 T1017	K1009-Q1013 WeakPolarHBondContact O-CB 3.48Å; K1009-Q1013 WeakPolarHBondContact O-CG 3.38Å; K1009-Q1013 PolarHBondContact O-N 3.05Å; R1010-Q1013 PolarHBondContact O-N 2.82Å; Q1013-T1017 VanDerWaalsContact O-CB 3.26Å; Q1013-T1017 WeakPolarHBondContact O-CB 3.49Å; Q1013-T1017 PolarHBondContact O-N 2.91Å; Q1013-T1017 PolarHBondContact O-OG1 2.63Å
1014	L	87.7	Confident	87.2	Confident	7 Å²	7	67.3 Å²	67.3	4%	0.037	34%	0.342	C	S	.	.	H	α-helix	trans	-59.6	-54.3	171.8	171.8	65.5	0	0	0	110.8	L872 I875 L973 L974 E977 R1010 R1011 E1012 D1016 T1017 V1018	L872-L1014 HydrophobicContact CD1-CD2 3.93Å; I875-L1014 HydrophobicContact CD1-CD2 3.67Å; I875-L1014 HydrophobicContact CD1-CG 3.94Å; L973-L1014 HydrophobicContact CD1-CD1 4.35Å; L973-L1014 HydrophobicContact CD2-CD1 3.74Å; L973-L1014 HydrophobicContact CG-CD1 3.7Å; L974-L1014 HydrophobicContact CD2-CD1 4.41Å; L974-L1014 HydrophobicContact CD2-CD2 4.49Å; E977-L1014 HydrophobicContact CB-CD2 3.98Å; E977-L1014 HydrophobicContact CG-CD1 4.16Å; E977-L1014 HydrophobicContact CG-CD2 3.94Å; E977-L1014 HydrophobicContact CG-CG 4.42Å; R1010-L1014 WeakPolarHBondContact O-CB 3.41Å; R1010-L1014 PolarHBondContact O-N 3.02Å; R1011-L1014 PolarHBondContact O-N 3.37Å; E1012-L1014 VanDerWaalsContact C-N 3.34Å; E1012-L1014 PolarHBondContact O-N 3.4Å; L1014-D1016 VanDerWaalsContact C-N 3.3Å; L1014-D1016 PolarHBondContact O-N 3.5Å; L1014-T1017 PolarHBondContact O-N 3.29Å; L1014-V1018 HydrophobicContact CD1-CG2 4.07Å; L1014-V1018 WeakPolarHBondContact O-CB 3.49Å; L1014-V1018 VanDerWaalsContact O-CG2 3.27Å; L1014-V1018 WeakPolarHBondContact O-CG2 3.5Å; L1014-V1018 PolarHBondContact O-N 3.39Å
1015	I	87.5	Confident	87.7	Confident	17 Å²	17	68 Å²	68	9%	0.087	34%	0.342	C	S	.	.	H	α-helix	trans	-59.4	-42.5	-177	-74.5	167.4	0	0	0	110.9	E874 I875 R1011 E1012 V1018 R1019	E874-I1015 HydrophobicContact CB-CD1 3.93Å; E874-I1015 HydrophobicContact CB-CG1 4.33Å; E874-I1015 HydrophobicContact CG-CD1 3.86Å; I875-I1015 HydrophobicContact CG1-CG1 4.46Å; R1011-I1015 HydrophobicContact CG-CD1 3.86Å; R1011-I1015 WeakPolarHBondContact O-CB 3.5Å; R1011-I1015 WeakPolarHBondContact O-CD1 3.37Å; R1011-I1015 WeakPolarHBondContact O-CG1 3.5Å; R1011-I1015 PolarHBondContact O-N 3.39Å; E1012-I1015 PolarHBondContact O-N 3.46Å; I1015-V1018 PolarHBondContact O-N 3.23Å; I1015-R1019 HydrophobicContact CG2-CG 4.49Å; I1015-R1019 WeakPolarHBondContact O-CB 3.26Å; I1015-R1019 VanDerWaalsContact O-CG 3.24Å; I1015-R1019 WeakPolarHBondContact O-CG 3.24Å; I1015-R1019 PolarHBondContact O-N 3.32Å
1016	D	89.5	Confident	88	Confident	83 Å²	83	63.8 Å²	63.8	44%	0.444	32%	0.321	S	S	.	.	H	α-helix	trans	-74.2	-34.6	179.2	-75	-14.4	0	0	0	112.5	E1012 L1014 V1018 R1019 S1020	E1012-D1016 PolarHBondContact O-N 2.92Å; L1014-D1016 VanDerWaalsContact C-N 3.3Å; L1014-D1016 PolarHBondContact O-N 3.5Å; D1016-V1018 VanDerWaalsContact C-N 3.31Å; D1016-V1018 PolarHBondContact O-N 3.46Å; D1016-R1019 PolarHBondContact O-N 2.9Å; D1016-R1019 IonicContact OD1-CZ 3.52Å; D1016-R1019 IonicContact OD1-NH1 3.85Å; D1016-R1019 PolarHBondContact OD1-NH1 3.05Å; D1016-S1020 VanDerWaalsContact O-CB 3.22Å; D1016-S1020 WeakPolarHBondContact O-CB 3.47Å; D1016-S1020 PolarHBondContact O-N 2.92Å; D1016-S1020 PolarHBondContact O-OG 3.46Å
1017	T	89.6	Confident	88.3	Confident	60 Å²	60	65.2 Å²	65.2	37%	0.368	32%	0.32	S	S	.	.	H	α-helix	trans	-59.5	-42.7	169.2	-61.1	0	0	0	0	111.2	L973 Q1013 L1014 S1020 N1021	L973-T1017 HydrophobicContact CD2-CG2 4.17Å; Q1013-T1017 VanDerWaalsContact O-CB 3.26Å; Q1013-T1017 WeakPolarHBondContact O-CB 3.49Å; Q1013-T1017 PolarHBondContact O-N 2.91Å; Q1013-T1017 PolarHBondContact O-OG1 2.63Å; L1014-T1017 PolarHBondContact O-N 3.29Å; T1017-S1020 PolarHBondContact O-OG 3.33Å; T1017-N1021 WeakPolarHBondContact O-CB 3.38Å; T1017-N1021 PolarHBondContact O-N 3.23Å
1018	V	88.5	Confident	88.7	Confident	7 Å²	7	69.8 Å²	69.8	4%	0.042	33%	0.33	C	S	.	.	I	π-helix	trans	-69.1	-38.4	178.4	170.9	0	0	0	0	111.7	L878 F970 L1014 I1015 D1016 A1023	L878-V1018 HydrophobicContact CD2-CG1 3.42Å; L878-V1018 VanDerWaalsContact CD2-CG1 3.42Å; F970-V1018 HydrophobicContact CD2-CG2 4.14Å; F970-V1018 HydrophobicContact CE2-CB 4.45Å; F970-V1018 HydrophobicContact CE2-CG1 3.84Å; F970-V1018 HydrophobicContact CE2-CG2 3.71Å; L1014-V1018 HydrophobicContact CD1-CG2 4.07Å; L1014-V1018 WeakPolarHBondContact O-CB 3.49Å; L1014-V1018 VanDerWaalsContact O-CG2 3.27Å; L1014-V1018 WeakPolarHBondContact O-CG2 3.5Å; L1014-V1018 PolarHBondContact O-N 3.39Å; I1015-V1018 PolarHBondContact O-N 3.23Å; D1016-V1018 VanDerWaalsContact C-N 3.31Å; D1016-V1018 PolarHBondContact O-N 3.46Å; V1018-A1023 VanDerWaalsContact O-CB 3.26Å; V1018-A1023 WeakPolarHBondContact O-CB 3.45Å; V1018-A1023 PolarHBondContact O-N 3.26Å
1019	R	87.9	Confident	89.1	Confident	153 Å²	153	66.7 Å²	66.7	58%	0.577	31%	0.311	S	S	*	.	I	π-helix	trans	-71.3	-39.1	176.2	-74.2	167.6	178.6	162.8	-1.7	113.7	I1015 D1016 P1024	I1015-R1019 HydrophobicContact CG2-CG 4.49Å; I1015-R1019 WeakPolarHBondContact O-CB 3.26Å; I1015-R1019 VanDerWaalsContact O-CG 3.24Å; I1015-R1019 WeakPolarHBondContact O-CG 3.24Å; I1015-R1019 PolarHBondContact O-N 3.32Å; D1016-R1019 PolarHBondContact O-N 2.9Å; D1016-R1019 IonicContact OD1-CZ 3.52Å; D1016-R1019 IonicContact OD1-NH1 3.85Å; D1016-R1019 PolarHBondContact OD1-NH1 3.05Å; R1019-P1024 WeakPolarHBondContact O-CD 3.33Å
1020	S	88.1	Confident	89.3	Confident	69 Å²	69	63.1 Å²	63.1	48%	0.483	30%	0.296	S	S	.	.	I	π-helix	trans	-84.7	-40.4	-173.3	57	0	0	0	0	113.4	D1016 T1017 P1024	D1016-S1020 VanDerWaalsContact O-CB 3.22Å; D1016-S1020 WeakPolarHBondContact O-CB 3.47Å; D1016-S1020 PolarHBondContact O-N 2.92Å; D1016-S1020 PolarHBondContact O-OG 3.46Å; T1017-S1020 PolarHBondContact O-OG 3.33Å; S1020-P1024 WeakPolarHBondContact O-CG 3.34Å
1021	N	89	Confident	89.5	Confident	105 Å²	105	63 Å²	63	56%	0.561	30%	0.303	S	S	*	.	I	π-helix	trans	-105.8	-59.3	-172.8	-59.9	-35.8	0	0	0	111.9	T1017 P1024 Q1025	T1017-N1021 WeakPolarHBondContact O-CB 3.38Å; T1017-N1021 PolarHBondContact O-N 3.23Å; N1021-P1024 WeakPolarHBondContact O-CD 3.45Å; N1021-Q1025 WeakPolarHBondContact O-CB 3.5Å; N1021-Q1025 PolarHBondContact O-N 3.5Å
1022	F	89.6	Confident	89.8	Confident	17 Å²	17	62.2 Å²	62.2	8%	0.075	30%	0.303	C	S	.	.	I	π-helix	trans	-73.7	-43	-171.3	-175.1	-113.5	0	0	0	113.2	L878 L882 A966 F970 Q1025 L1026	L878-F1022 HydrophobicContact CD2-CD1 3.92Å; L878-F1022 HydrophobicContact CD2-CE1 4.33Å; L882-F1022 HydrophobicContact CD2-CE1 4.14Å; L882-F1022 HydrophobicContact CD2-CZ 3.96Å; A966-F1022 HydrophobicContact CB-CE2 4.5Å; F970-F1022 HydrophobicContact CB-CD1 4.18Å; F970-F1022 HydrophobicContact CB-CD2 3.83Å; F970-F1022 HydrophobicContact CB-CE1 3.99Å; F970-F1022 HydrophobicContact CB-CE2 3.62Å; F970-F1022 HydrophobicContact CB-CG 4.1Å; F970-F1022 HydrophobicContact CB-CZ 3.71Å; F970-F1022 HydrophobicContact CD1-CD1 4.13Å; F970-F1022 AromaticContact CD1-CE1 3.49Å; F970-F1022 HydrophobicContact CD1-CE1 3.49Å; F970-F1022 VanDerWaalsContact CD1-CE1 3.49Å; F970-F1022 HydrophobicContact CD1-CE2 4.49Å; F970-F1022 AromaticContact CD1-CZ 3.7Å; F970-F1022 HydrophobicContact CD1-CZ 3.7Å; F970-F1022 HydrophobicContact CD2-CB 4.31Å; F970-F1022 AromaticContact CD2-CD1 3.32Å; F970-F1022 HydrophobicContact CD2-CD1 3.32Å; F970-F1022 HydrophobicContact CD2-CD2 4.35Å; F970-F1022 AromaticContact CD2-CE1 3.6Å; F970-F1022 HydrophobicContact CD2-CE1 3.6Å; F970-F1022 AromaticContact CD2-CG 3.74Å; F970-F1022 HydrophobicContact CD2-CG 3.74Å; F970-F1022 HydrophobicContact CD2-CZ 4.23Å; F970-F1022 HydrophobicContact CE1-CD1 4.31Å; F970-F1022 AromaticContact CE1-CE1 3.7Å; F970-F1022 HydrophobicContact CE1-CE1 3.7Å; F970-F1022 HydrophobicContact CE1-CZ 4.32Å; F970-F1022 AromaticContact CE2-CD1 3.56Å; F970-F1022 HydrophobicContact CE2-CD1 3.56Å; F970-F1022 AromaticContact CE2-CE1 3.82Å; F970-F1022 HydrophobicContact CE2-CE1 3.82Å; F970-F1022 HydrophobicContact CE2-CG 4.36Å; F970-F1022 AromaticContact CG-CD1 3.62Å; F970-F1022 HydrophobicContact CG-CD1 3.62Å; F970-F1022 HydrophobicContact CG-CD2 4.2Å; F970-F1022 AromaticContact CG-CE1 3.41Å; F970-F1022 HydrophobicContact CG-CE1 3.41Å; F970-F1022 VanDerWaalsContact CG-CE1 3.41Å; F970-F1022 HydrophobicContact CG-CE2 4.02Å; F970-F1022 HydrophobicContact CG-CG 4.01Å; F970-F1022 AromaticContact CG-CZ 3.62Å; F970-F1022 HydrophobicContact CG-CZ 3.62Å; F970-F1022 HydrophobicContact CZ-CD1 4.04Å; F970-F1022 AromaticContact CZ-CE1 3.85Å; F970-F1022 HydrophobicContact CZ-CE1 3.85Å; F1022-Q1025 PolarHBondContact O-N 3.22Å; F1022-L1026 HydrophobicContact CE1-CD2 3.98Å; F1022-L1026 HydrophobicContact CZ-CB 4.48Å; F1022-L1026 HydrophobicContact CZ-CD2 4.24Å; F1022-L1026 WeakPolarHBondContact O-CB 3.44Å; F1022-L1026 PolarHBondContact O-N 3.05Å
1023	A	89.3	Confident	90.1	Very high	10 Å²	10	57.3 Å²	57.3	8%	0.083	28%	0.28	C	S	.	.	H	α-helix	trans	-65.5	-36.4	-177.4	0	0	0	0	0	114.3	L878 V1018 R1027	L878-A1023 HydrophobicContact CD1-CB 4.27Å; L878-A1023 HydrophobicContact CD2-CB 4.12Å; V1018-A1023 VanDerWaalsContact O-CB 3.26Å; V1018-A1023 WeakPolarHBondContact O-CB 3.45Å; V1018-A1023 PolarHBondContact O-N 3.26Å; A1023-R1027 WeakPolarHBondContact O-CG 3.39Å; A1023-R1027 PolarHBondContact O-N 3.33Å; A1023-R1027 PolarHBondContact O-NH1 3.46Å
1024	P	90.9	Very high	90.2	Very high	48 Å²	48	51.7 Å²	51.7	31%	0.312	25%	0.253	S	S	.	.	H	α-helix	trans	-68	-44.8	169	-23.7	36.3	0	0	0	113	R1019 S1020 N1021 L1026 R1027 W1028	R1019-P1024 WeakPolarHBondContact O-CD 3.33Å; S1020-P1024 WeakPolarHBondContact O-CG 3.34Å; N1021-P1024 WeakPolarHBondContact O-CD 3.45Å; P1024-L1026 PolarHBondContact O-N 2.74Å; P1024-R1027 PolarHBondContact O-N 3.21Å; P1024-R1027 VanDerWaalsContact O-N 3.17Å; P1024-W1028 PolarHBondContact O-N 2.95Å; P1024-W1028 VanDerWaalsContact O-N 3.09Å
1025	Q	91.3	Very high	90.2	Very high	92 Å²	92	54.1 Å²	54.1	43%	0.43	27%	0.266	S	S	.	.	H	α-helix	trans	-58.6	-46.9	178.6	-172.8	-179.4	13.8	0	0	111.5	N1021 F1022 R1027 W1028 I1029	N1021-Q1025 WeakPolarHBondContact O-CB 3.5Å; N1021-Q1025 PolarHBondContact O-N 3.5Å; F1022-Q1025 PolarHBondContact O-N 3.22Å; Q1025-R1027 VanDerWaalsContact C-N 3.33Å; Q1025-R1027 PolarHBondContact O-N 3.23Å; Q1025-W1028 PolarHBondContact O-N 3.11Å; Q1025-I1029 HydrophobicContact CG-CD1 3.93Å; Q1025-I1029 WeakPolarHBondContact O-CG1 3.5Å; Q1025-I1029 PolarHBondContact O-N 2.9Å
1026	L	91.2	Very high	90.4	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-62.4	-36.1	177	-179.2	60.6	0	0	0	112.7	L878 L882 L885 L963 F1022 P1024 E1030	L878-L1026 HydrophobicContact CD1-CD2 3.99Å; L878-L1026 HydrophobicContact CG-CD2 4.44Å; L882-L1026 HydrophobicContact CB-CD2 4.36Å; L882-L1026 HydrophobicContact CD1-CD1 3.68Å; L882-L1026 HydrophobicContact CD1-CD2 4.02Å; L885-L1026 HydrophobicContact CD2-CD1 3.73Å; L963-L1026 HydrophobicContact CD1-CD1 3.91Å; F1022-L1026 HydrophobicContact CE1-CD2 3.98Å; F1022-L1026 HydrophobicContact CZ-CB 4.48Å; F1022-L1026 HydrophobicContact CZ-CD2 4.24Å; F1022-L1026 WeakPolarHBondContact O-CB 3.44Å; F1022-L1026 PolarHBondContact O-N 3.05Å; P1024-L1026 PolarHBondContact O-N 2.74Å; L1026-E1030 VanDerWaalsContact O-CB 3.27Å; L1026-E1030 WeakPolarHBondContact O-CB 3.44Å; L1026-E1030 PolarHBondContact O-N 3.27Å
1027	R	91.1	Very high	90.4	Very high	119 Å²	119	49.9 Å²	49.9	45%	0.449	25%	0.245	S	C	.	.	H	α-helix	trans	-65.2	-39.5	174.9	-77.7	-172.7	-59	-96.8	11.4	112	A1023 P1024 Q1025 T1031	A1023-R1027 WeakPolarHBondContact O-CG 3.39Å; A1023-R1027 PolarHBondContact O-N 3.33Å; A1023-R1027 PolarHBondContact O-NH1 3.46Å; P1024-R1027 PolarHBondContact O-N 3.21Å; P1024-R1027 VanDerWaalsContact O-N 3.17Å; Q1025-R1027 VanDerWaalsContact C-N 3.33Å; Q1025-R1027 PolarHBondContact O-N 3.23Å; R1027-T1031 WeakPolarHBondContact O-CB 3.29Å; R1027-T1031 PolarHBondContact O-N 3.06Å; R1027-T1031 VanDerWaalsContact O-N 3.15Å; R1027-T1031 PolarHBondContact O-OG1 3.11Å
1028	W	92.2	Very high	90.3	Very high	126 Å²	126	47.5 Å²	47.5	48%	0.477	23%	0.23	S	C	.	.	H	α-helix	trans	-67.2	-51.7	176.3	177	68.9	0	0	0	111	E962 P1024 Q1025 E1030 T1031 E1032	E962-W1028 WeakPolarHBondContact OE2-CZ3 3.32Å; P1024-W1028 PolarHBondContact O-N 2.95Å; P1024-W1028 VanDerWaalsContact O-N 3.09Å; Q1025-W1028 PolarHBondContact O-N 3.11Å; W1028-E1030 VanDerWaalsContact C-N 3.31Å; W1028-E1030 PolarHBondContact O-N 2.87Å; W1028-T1031 WeakPolarHBondContact O-CB 3.46Å; W1028-T1031 PolarHBondContact O-N 2.95Å; W1028-E1032 HydrophobicContact CD2-CG 4.08Å; W1028-E1032 VanDerWaalsContact CE2-CG 3.43Å; W1028-E1032 HydrophobicContact CG-CG 4.42Å; W1028-E1032 HydrophobicContact CH2-CG 4.36Å; W1028-E1032 HydrophobicContact CZ2-CG 3.62Å; W1028-E1032 PolarHBondContact NE1-OE1 3.14Å; W1028-E1032 PolarHBondContact O-N 3.32Å
1029	I	92.2	Very high	90.3	Very high	3 Å²	3	50 Å²	50	2%	0.015	24%	0.243	C	C	.	.	H	α-helix	trans	-55.6	-42.9	176.8	-66.9	173.2	0	0	0	111.9	V959 L963 A966 Q1025 T1031 Y1033	V959-I1029 HydrophobicContact CG1-CG2 4.1Å; L963-I1029 HydrophobicContact CB-CG2 3.74Å; L963-I1029 HydrophobicContact CD1-CG2 3.9Å; L963-I1029 HydrophobicContact CG-CG2 4.32Å; A966-I1029 HydrophobicContact CB-CD1 4.14Å; Q1025-I1029 HydrophobicContact CG-CD1 3.93Å; Q1025-I1029 WeakPolarHBondContact O-CG1 3.5Å; Q1025-I1029 PolarHBondContact O-N 2.9Å; I1029-T1031 VanDerWaalsContact C-N 3.35Å; I1029-T1031 PolarHBondContact O-N 2.91Å; I1029-Y1033 VanDerWaalsContact O-CB 3.25Å; I1029-Y1033 WeakPolarHBondContact O-CB 3.49Å; I1029-Y1033 PolarHBondContact O-N 3.18Å
1030	E	91.5	Very high	90.4	Very high	19 Å²	19	42.7 Å²	42.7	9%	0.089	22%	0.216	C	C	.	.	H	α-helix	trans	-62.9	-40.4	176.1	-177.5	172.8	-169.7	0	0	112.1	R881 L885 L1026 W1028 Y1034	R881-E1030 IonicContact CZ-OE2 2.85Å; R881-E1030 IonicContact NE-OE2 3.9Å; R881-E1030 PolarHBondContact NE-OE2 3.45Å; R881-E1030 IonicContact NH2-OE2 2.68Å; R881-E1030 PolarHBondContact NH2-OE2 3.03Å; L885-E1030 HydrophobicContact CD1-CG 4.16Å; L885-E1030 HydrophobicContact CD2-CB 4.13Å; L885-E1030 HydrophobicContact CD2-CG 4.46Å; L1026-E1030 VanDerWaalsContact O-CB 3.27Å; L1026-E1030 WeakPolarHBondContact O-CB 3.44Å; L1026-E1030 PolarHBondContact O-N 3.27Å; W1028-E1030 VanDerWaalsContact C-N 3.31Å; W1028-E1030 PolarHBondContact O-N 2.87Å; E1030-Y1034 HydrophobicContact CG-CD2 3.79Å; E1030-Y1034 HydrophobicContact CG-CE2 3.53Å; E1030-Y1034 WeakPolarHBondContact O-CD2 3.39Å; E1030-Y1034 PolarHBondContact O-N 3.2Å; E1030-Y1034 VanDerWaalsContact O-N 3.16Å
1031	T	91.2	Very high	90.4	Very high	63 Å²	63	39.9 Å²	39.9	39%	0.387	20%	0.195	S	C	.	.	H	α-helix	trans	-68.5	-49.7	-179.8	-56.8	0	0	0	0	111.3	R1027 W1028 I1029 Y1033 Y1034 I1035	R1027-T1031 WeakPolarHBondContact O-CB 3.29Å; R1027-T1031 PolarHBondContact O-N 3.06Å; R1027-T1031 VanDerWaalsContact O-N 3.15Å; R1027-T1031 PolarHBondContact O-OG1 3.11Å; W1028-T1031 WeakPolarHBondContact O-CB 3.46Å; W1028-T1031 PolarHBondContact O-N 2.95Å; I1029-T1031 VanDerWaalsContact C-N 3.35Å; I1029-T1031 PolarHBondContact O-N 2.91Å; T1031-Y1033 VanDerWaalsContact C-N 3.31Å; T1031-Y1033 PolarHBondContact O-N 3.24Å; T1031-Y1034 PolarHBondContact O-N 2.94Å; T1031-I1035 HydrophobicContact CG2-CD1 3.8Å; T1031-I1035 WeakPolarHBondContact O-CG1 3.44Å; T1031-I1035 PolarHBondContact O-N 3.48Å
1032	E	91.8	Very high	90.3	Very high	69 Å²	69	39.6 Å²	39.6	32%	0.322	19%	0.191	S	C	.	.	H	α-helix	trans	-60	-40.7	176.6	-64.1	-58.9	155.2	0	0	111.7	V959 W1028 I1035 A1036	V959-E1032 HydrophobicContact CG1-CB 4.37Å; V959-E1032 HydrophobicContact CG2-CB 4.16Å; W1028-E1032 HydrophobicContact CD2-CG 4.08Å; W1028-E1032 VanDerWaalsContact CE2-CG 3.43Å; W1028-E1032 HydrophobicContact CG-CG 4.42Å; W1028-E1032 HydrophobicContact CH2-CG 4.36Å; W1028-E1032 HydrophobicContact CZ2-CG 3.62Å; W1028-E1032 PolarHBondContact NE1-OE1 3.14Å; W1028-E1032 PolarHBondContact O-N 3.32Å; E1032-I1035 PolarHBondContact O-N 3.46Å; E1032-A1036 VanDerWaalsContact O-CB 3.24Å; E1032-A1036 WeakPolarHBondContact O-CB 3.44Å; E1032-A1036 PolarHBondContact O-N 3.18Å
1033	Y	92.8	Very high	90.2	Very high	3 Å²	3	40.2 Å²	40.2	1%	0.012	20%	0.196	C	C	.	.	H	α-helix	trans	-59.5	-49.7	176.8	172.1	-103.9	0	0	0	112.3	L885 V889 F892 I956 V960 I1029 T1031 A1036 A1037 Y1065	L885-Y1033 HydrophobicContact CD1-CD1 3.94Å; L885-Y1033 HydrophobicContact CD1-CE1 4.42Å; V889-Y1033 HydrophobicContact CG2-CD1 4.14Å; V889-Y1033 HydrophobicContact CG2-CD2 4.08Å; V889-Y1033 HydrophobicContact CG2-CE1 3.84Å; V889-Y1033 HydrophobicContact CG2-CE2 3.79Å; V889-Y1033 HydrophobicContact CG2-CG 4.25Å; F892-Y1033 VanDerWaalsContact CB-OH 3.29Å; F892-Y1033 WeakPolarHBondContact CB-OH 3.19Å; I956-Y1033 HydrophobicContact CG2-CD2 4.31Å; I956-Y1033 HydrophobicContact CG2-CE2 4.07Å; V960-Y1033 HydrophobicContact CG2-CD2 4.37Å; V960-Y1033 HydrophobicContact CG2-CE2 4.41Å; I1029-Y1033 VanDerWaalsContact O-CB 3.25Å; I1029-Y1033 WeakPolarHBondContact O-CB 3.49Å; I1029-Y1033 PolarHBondContact O-N 3.18Å; T1031-Y1033 VanDerWaalsContact C-N 3.31Å; T1031-Y1033 PolarHBondContact O-N 3.24Å; Y1033-A1036 PolarHBondContact O-N 2.67Å; Y1033-A1037 WeakPolarHBondContact O-CB 3.28Å; Y1033-A1037 PolarHBondContact O-N 3.44Å; Y1033-Y1065 HydrophobicContact CE1-CE1 4.01Å; Y1033-Y1065 PolarHBondContact OH-OH 3.14Å; Y1033-Y1065 VanDerWaalsContact OH-OH 3.05Å
1034	Y	90.8	Very high	90.1	Very high	12 Å²	12	39.8 Å²	39.8	5%	0.047	19%	0.192	C	C	.	.	H	α-helix	trans	-68.7	-34	-180	-75.6	-62.9	0	0	0	112.7	E1030 T1031 S1038 Y1065 K1068	E1030-Y1034 HydrophobicContact CG-CD2 3.79Å; E1030-Y1034 HydrophobicContact CG-CE2 3.53Å; E1030-Y1034 WeakPolarHBondContact O-CD2 3.39Å; E1030-Y1034 PolarHBondContact O-N 3.2Å; E1030-Y1034 VanDerWaalsContact O-N 3.16Å; T1031-Y1034 PolarHBondContact O-N 2.94Å; Y1034-S1038 WeakPolarHBondContact O-CB 3.42Å; Y1034-S1038 PolarHBondContact O-N 3.33Å; Y1034-S1038 PolarHBondContact O-OG 3.43Å; Y1034-Y1065 AromaticContact CD1-CD1 4Å; Y1034-Y1065 HydrophobicContact CD1-CD1 4Å; Y1034-Y1065 HydrophobicContact CD1-CE1 4.23Å; Y1034-Y1065 HydrophobicContact CE1-CD1 4.31Å; Y1034-Y1065 HydrophobicContact CE1-CE1 4.24Å; Y1034-K1068 HydrophobicContact CD1-CB 3.76Å; Y1034-K1068 HydrophobicContact CD1-CG 4.31Å; Y1034-K1068 HydrophobicContact CE1-CB 3.86Å; Y1034-K1068 HydrophobicContact CE1-CD 4.22Å; Y1034-K1068 HydrophobicContact CE1-CG 3.88Å; Y1034-K1068 HydrophobicContact CE2-CD 4.22Å; Y1034-K1068 HydrophobicContact CG-CB 4.22Å
1035	I	89.3	Confident	89.8	Confident	58 Å²	58	42.4 Å²	42.4	30%	0.297	20%	0.203	S	C	.	.	H	α-helix	trans	-65.4	-51.2	173.8	-68.9	169.7	0	0	0	110.3	T1031 E1032 A1037 S1038 N1039	T1031-I1035 HydrophobicContact CG2-CD1 3.8Å; T1031-I1035 WeakPolarHBondContact O-CG1 3.44Å; T1031-I1035 PolarHBondContact O-N 3.48Å; E1032-I1035 PolarHBondContact O-N 3.46Å; I1035-A1037 PolarHBondContact O-N 2.62Å; I1035-S1038 PolarHBondContact O-N 3.44Å; I1035-N1039 WeakPolarHBondContact O-CB 3.18Å; I1035-N1039 VanDerWaalsContact O-CG 3.22Å; I1035-N1039 PolarHBondContact O-N 3.03Å; I1035-N1039 PolarHBondContact O-ND2 3.49Å
1036	A	90.6	Very high	89.5	Confident	11 Å²	11	45.8 Å²	45.8	9%	0.091	22%	0.216	C	C	.	.	H	α-helix	trans	-63.6	-42.2	-178.4	0	0	0	0	0	112.1	I956 E1032 Y1033 N1039 F1040	I956-A1036 HydrophobicContact CG1-CB 3.59Å; E1032-A1036 VanDerWaalsContact O-CB 3.24Å; E1032-A1036 WeakPolarHBondContact O-CB 3.44Å; E1032-A1036 PolarHBondContact O-N 3.18Å; Y1033-A1036 PolarHBondContact O-N 2.67Å; A1036-N1039 PolarHBondContact O-N 2.9Å; A1036-F1040 WeakPolarHBondContact O-CB 3.45Å; A1036-F1040 PolarHBondContact O-N 3.14Å
1037	A	89.7	Confident	89.2	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.8	-45.1	175.5	0	0	0	0	0	112.5	F892 I956 Y1033 I1035 F1040 L1041 Y1065	F892-A1037 HydrophobicContact CE2-CB 4.24Å; I956-A1037 HydrophobicContact CD1-CB 4.48Å; Y1033-A1037 WeakPolarHBondContact O-CB 3.28Å; Y1033-A1037 PolarHBondContact O-N 3.44Å; I1035-A1037 PolarHBondContact O-N 2.62Å; A1037-F1040 PolarHBondContact O-N 3.06Å; A1037-L1041 WeakPolarHBondContact O-CG 3.46Å; A1037-L1041 PolarHBondContact O-N 3.02Å; A1037-Y1065 HydrophobicContact CB-CD1 3.84Å; A1037-Y1065 HydrophobicContact CB-CE1 3.9Å
1038	S	87.3	Confident	88.8	Confident	9 Å²	9	46.8 Å²	46.8	6%	0.063	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-43.5	176.3	-66.3	0	0	0	0	111.9	Y1034 I1035 L1041 Q1042	Y1034-S1038 WeakPolarHBondContact O-CB 3.42Å; Y1034-S1038 PolarHBondContact O-N 3.33Å; Y1034-S1038 PolarHBondContact O-OG 3.43Å; I1035-S1038 PolarHBondContact O-N 3.44Å; S1038-L1041 PolarHBondContact O-N 2.88Å; S1038-Q1042 WeakPolarHBondContact O-CG 3.44Å; S1038-Q1042 PolarHBondContact O-N 3.33Å
1039	N	88.7	Confident	88.4	Confident	60 Å²	60	41.9 Å²	41.9	32%	0.321	22%	0.221	S	C	.	.	H	α-helix	trans	-64.4	-42.2	177.1	-70.7	-19.4	0	0	0	111.7	I1035 A1036 L1041 Q1042 V1043	I1035-N1039 WeakPolarHBondContact O-CB 3.18Å; I1035-N1039 VanDerWaalsContact O-CG 3.22Å; I1035-N1039 PolarHBondContact O-N 3.03Å; I1035-N1039 PolarHBondContact O-ND2 3.49Å; A1036-N1039 PolarHBondContact O-N 2.9Å; N1039-L1041 PolarHBondContact O-N 3.36Å; N1039-Q1042 PolarHBondContact O-N 3.09Å; N1039-V1043 WeakPolarHBondContact O-CG2 3.48Å; N1039-V1043 PolarHBondContact O-N 2.9Å
1040	F	90.3	Very high	88	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-58.1	-47.9	173.6	177.2	-103.2	0	0	0	111.8	F892 L896 F941 L949 H952 L953 I956 A1036 A1037 Q1042 V1043 L1044 I1059	F892-F1040 HydrophobicContact CE2-CD1 4.41Å; F892-F1040 AromaticContact CZ-CD1 3.96Å; F892-F1040 HydrophobicContact CZ-CD1 3.96Å; F892-F1040 HydrophobicContact CZ-CE1 4.27Å; L896-F1040 HydrophobicContact CD2-CE1 4.36Å; L896-F1040 HydrophobicContact CD2-CZ 4.36Å; F941-F1040 HydrophobicContact CZ-CZ 4.31Å; L949-F1040 HydrophobicContact CB-CE2 4.28Å; L949-F1040 HydrophobicContact CD2-CD2 3.99Å; L949-F1040 HydrophobicContact CD2-CE2 3.84Å; H952-F1040 HydrophobicContact CB-CB 4.03Å; H952-F1040 HydrophobicContact CB-CD2 3.96Å; L953-F1040 HydrophobicContact CB-CD2 4.26Å; L953-F1040 HydrophobicContact CB-CE2 3.92Å; I956-F1040 HydrophobicContact CD1-CB 3.62Å; I956-F1040 HydrophobicContact CD1-CD1 4.42Å; I956-F1040 HydrophobicContact CD1-CG 4Å; A1036-F1040 WeakPolarHBondContact O-CB 3.45Å; A1036-F1040 PolarHBondContact O-N 3.14Å; A1037-F1040 PolarHBondContact O-N 3.06Å; F1040-Q1042 PolarHBondContact O-N 3.28Å; F1040-V1043 PolarHBondContact O-N 3.26Å; F1040-L1044 HydrophobicContact CE1-CD2 3.99Å; F1040-L1044 HydrophobicContact CZ-CD1 4.46Å; F1040-L1044 HydrophobicContact CZ-CD2 4.35Å; F1040-L1044 VanDerWaalsContact O-CB 3.28Å; F1040-L1044 WeakPolarHBondContact O-CB 3.45Å; F1040-L1044 PolarHBondContact O-N 3.19Å; F1040-I1059 HydrophobicContact CE1-CD1 4.01Å
1041	L	88	Confident	87.5	Confident	10 Å²	10	46.6 Å²	46.6	5%	0.052	25%	0.253	C	S	.	.	H	α-helix	trans	-62.1	-41.6	177.2	-70.7	167.5	0	0	0	112.1	A1037 S1038 N1039 V1043 L1044 L1045 I1059 D1060 Y1065	A1037-L1041 WeakPolarHBondContact O-CG 3.46Å; A1037-L1041 PolarHBondContact O-N 3.02Å; S1038-L1041 PolarHBondContact O-N 2.88Å; N1039-L1041 PolarHBondContact O-N 3.36Å; L1041-V1043 VanDerWaalsContact C-N 3.35Å; L1041-V1043 PolarHBondContact O-N 3.43Å; L1041-L1044 PolarHBondContact O-N 3.48Å; L1041-L1045 WeakPolarHBondContact O-CB 3.42Å; L1041-L1045 WeakPolarHBondContact O-CG 3.43Å; L1041-L1045 PolarHBondContact O-N 2.92Å; L1041-I1059 HydrophobicContact CD1-CG2 4.44Å; L1041-I1059 HydrophobicContact CD2-CB 4.06Å; L1041-I1059 HydrophobicContact CD2-CD1 4.39Å; L1041-I1059 HydrophobicContact CD2-CG2 3.91Å; L1041-D1060 HydrophobicContact CD1-CB 4.06Å; L1041-Y1065 HydrophobicContact CD1-CD2 3.94Å; L1041-Y1065 HydrophobicContact CD1-CG 3.86Å
1042	Q	86.1	Confident	87.2	Confident	99 Å²	99	43.6 Å²	43.6	46%	0.463	24%	0.235	S	C	.	.	H	α-helix	trans	-64.1	-34.2	176.4	-75.6	-173.6	33.5	0	0	113.8	S1038 N1039 F1040 K1046	S1038-Q1042 WeakPolarHBondContact O-CG 3.44Å; S1038-Q1042 PolarHBondContact O-N 3.33Å; N1039-Q1042 PolarHBondContact O-N 3.09Å; F1040-Q1042 PolarHBondContact O-N 3.28Å; Q1042-K1046 WeakPolarHBondContact O-CD 3.44Å; Q1042-K1046 WeakPolarHBondContact O-CE 3.35Å; Q1042-K1046 WeakPolarHBondContact O-CG 3.41Å
1043	V	88.1	Confident	86.8	Confident	30 Å²	30	45 Å²	45	18%	0.182	24%	0.237	C	C	.	.	H	α-helix	trans	-72.4	-45.4	172.8	178.2	0	0	0	0	109.7	L949 N1039 F1040 L1041 L1045 K1046 E1047	L949-V1043 HydrophobicContact CD2-CB 3.86Å; L949-V1043 HydrophobicContact CD2-CG1 3.54Å; L949-V1043 HydrophobicContact CG-CG1 3.82Å; N1039-V1043 WeakPolarHBondContact O-CG2 3.48Å; N1039-V1043 PolarHBondContact O-N 2.9Å; F1040-V1043 PolarHBondContact O-N 3.26Å; L1041-V1043 VanDerWaalsContact C-N 3.35Å; L1041-V1043 PolarHBondContact O-N 3.43Å; V1043-L1045 VanDerWaalsContact C-N 3.28Å; V1043-L1045 PolarHBondContact O-N 3.17Å; V1043-K1046 WeakPolarHBondContact O-CB 3.46Å; V1043-K1046 PolarHBondContact O-N 3.1Å; V1043-E1047 PolarHBondContact O-N 3Å
1044	L	87.5	Confident	86.4	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.7	-31.3	-177.9	-164.5	72.6	0	0	0	113.1	F941 L949 F1040 L1041 K1046 L1052 L1055	F941-L1044 HydrophobicContact CE1-CD1 4.02Å; F941-L1044 HydrophobicContact CZ-CD1 4.47Å; L949-L1044 HydrophobicContact CD1-CD1 3.92Å; L949-L1044 HydrophobicContact CD2-CB 3.99Å; L949-L1044 HydrophobicContact CD2-CD1 3.88Å; F1040-L1044 HydrophobicContact CE1-CD2 3.99Å; F1040-L1044 HydrophobicContact CZ-CD1 4.46Å; F1040-L1044 HydrophobicContact CZ-CD2 4.35Å; F1040-L1044 VanDerWaalsContact O-CB 3.28Å; F1040-L1044 WeakPolarHBondContact O-CB 3.45Å; F1040-L1044 PolarHBondContact O-N 3.19Å; L1041-L1044 PolarHBondContact O-N 3.48Å; L1044-K1046 VanDerWaalsContact C-N 3.32Å; L1044-L1052 HydrophobicContact CD1-CB 3.86Å; L1044-L1052 HydrophobicContact CD1-CD1 4.46Å; L1044-L1052 HydrophobicContact CD1-CD2 4.38Å; L1044-L1052 HydrophobicContact CD1-CG 4.46Å; L1044-L1052 WeakPolarHBondContact CG-O 3.42Å; L1044-L1055 HydrophobicContact CD2-CB 4.08Å; L1044-L1055 HydrophobicContact CD2-CD2 4.1Å; L1044-L1055 HydrophobicContact CD2-CG 3.91Å
1045	L	85	Confident	86.1	Confident	103 Å²	103	50.3 Å²	50.3	54%	0.539	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-24.8	172.3	-75.4	169	0	0	0	113.9	L1041 V1043 S1056	L1041-L1045 WeakPolarHBondContact O-CB 3.42Å; L1041-L1045 WeakPolarHBondContact O-CG 3.43Å; L1041-L1045 PolarHBondContact O-N 2.92Å; V1043-L1045 VanDerWaalsContact C-N 3.28Å; V1043-L1045 PolarHBondContact O-N 3.17Å; L1045-S1056 WeakPolarHBondContact CD2-OG 3.32Å; L1045-S1056 WeakPolarHBondContact CG-OG 3.44Å
1046	K	85	Confident	85.8	Confident	164 Å²	164	48 Å²	48	71%	0.713	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-10.3	-179.8	-66.7	167.5	-172.6	169.1	0	113.1	Q1042 V1043 L1044	Q1042-K1046 WeakPolarHBondContact O-CD 3.44Å; Q1042-K1046 WeakPolarHBondContact O-CE 3.35Å; Q1042-K1046 WeakPolarHBondContact O-CG 3.41Å; V1043-K1046 WeakPolarHBondContact O-CB 3.46Å; V1043-K1046 PolarHBondContact O-N 3.1Å; L1044-K1046 VanDerWaalsContact C-N 3.32Å
1047	E	84.9	Confident	85.3	Confident	34 Å²	34	53.7 Å²	53.7	16%	0.159	27%	0.269	C	S	.	.			trans	-60.9	147.5	178.5	-74	-62.2	155.8	0	0	112.9	L949 V1043 L1052 R1053	L949-E1047 HydrophobicContact CD1-CG 3.78Å; L949-E1047 VanDerWaalsContact CD1-OE1 3.29Å; L949-E1047 WeakPolarHBondContact CD1-OE1 3.23Å; V1043-E1047 PolarHBondContact O-N 3Å; E1047-L1052 HydrophobicContact CB-CB 4.2Å; E1047-L1052 HydrophobicContact CB-CD1 4.37Å; E1047-L1052 HydrophobicContact CG-CB 4.4Å; E1047-L1052 HydrophobicContact CG-CD1 3.98Å; E1047-R1053 WeakPolarHBondContact O-CD 3.26Å; E1047-R1053 PolarHBondContact O-NH1 3.25Å
1048	S	82.3	Confident	84.9	Confident	110 Å²	110	55 Å²	55	77%	0.769	28%	0.279	S	S	*	.	S	Bend	trans	-74.5	-28.7	176.2	59.9	0	0	0	0	112.7	R1053	S1048-R1053 PolarHBondContact O-NH1 2.97Å
1049	D	84.1	Confident	84.6	Confident	22 Å²	22	54.7 Å²	54.7	12%	0.118	28%	0.277	C	S	.	.			trans	-71.5	126.8	-178.2	-172	-13.3	0	0	0	112.7	K939 K946 D1051 L1052 R1053	K939-D1049 WeakPolarHBondContact CE-OD2 3.49Å; K939-D1049 IonicContact NZ-OD1 3.65Å; K939-D1049 PolarHBondContact NZ-OD1 2.86Å; K939-D1049 IonicContact NZ-OD2 3.89Å; K939-D1049 PolarHBondContact NZ-OD2 3.31Å; K946-D1049 IonicContact NZ-OD2 2.82Å; K946-D1049 PolarHBondContact NZ-OD2 3.31Å; D1049-D1051 PolarHBondContact OD1-N 3.06Å; D1049-L1052 HydrophobicContact CB-CB 4.11Å; D1049-L1052 HydrophobicContact CB-CD1 4.16Å; D1049-L1052 HydrophobicContact CB-CG 3.93Å; D1049-L1052 PolarHBondContact O-N 3.45Å; D1049-R1053 PolarHBondContact O-N 2.98Å
1050	S	82.6	Confident	84.2	Confident	80 Å²	80	52.3 Å²	52.3	56%	0.559	26%	0.264	S	S	*	.	H	α-helix	trans	-70.4	-30.8	178.1	47.2	0	0	0	0	114.2	L1052 Y1054	S1050-L1052 VanDerWaalsContact C-N 3.33Å; S1050-Y1054 PolarHBondContact O-N 3.39Å; S1050-Y1054 VanDerWaalsContact O-N 3.12Å
1051	D	82.3	Confident	83	Confident	41 Å²	41	53.9 Å²	53.9	22%	0.219	28%	0.275	C	S	.	.	H	α-helix	trans	-67.8	-37.9	176.3	-70.7	-60.2	0	0	0	110.4	R907 K939 D1049 Y1054 L1055	R907-D1051 IonicContact CZ-OD1 2.7Å; R907-D1051 IonicContact NH1-OD1 3.33Å; R907-D1051 PolarHBondContact NH1-OD1 3.31Å; R907-D1051 IonicContact NH1-OD2 2.7Å; R907-D1051 IonicContact NH2-OD1 3.04Å; K939-D1051 IonicContact NZ-OD2 3.47Å; K939-D1051 PolarHBondContact NZ-OD2 3.03Å; D1049-D1051 PolarHBondContact OD1-N 3.06Å; D1051-Y1054 PolarHBondContact O-N 3.5Å; D1051-L1055 PolarHBondContact O-N 2.99Å
1052	L	84.2	Confident	82	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-69.5	-42.8	178.5	-65.8	-167.4	0	0	0	112.4	Y899 F941 K946 L949 L1044 E1047 D1049 S1050 Y1054 L1055 S1056	Y899-L1052 VanDerWaalsContact OH-CD2 3.27Å; Y899-L1052 WeakPolarHBondContact OH-CD2 3.23Å; F941-L1052 HydrophobicContact CD1-CD1 4.46Å; F941-L1052 HydrophobicContact CD1-CD2 4.5Å; F941-L1052 HydrophobicContact CE1-CD1 4.09Å; F941-L1052 HydrophobicContact CE1-CD2 3.59Å; F941-L1052 HydrophobicContact CE1-CG 4.47Å; F941-L1052 HydrophobicContact CZ-CD2 4.05Å; K946-L1052 HydrophobicContact CD-CD1 3.95Å; L949-L1052 HydrophobicContact CD1-CD1 4.06Å; L1044-L1052 HydrophobicContact CD1-CB 3.86Å; L1044-L1052 HydrophobicContact CD1-CD1 4.46Å; L1044-L1052 HydrophobicContact CD1-CD2 4.38Å; L1044-L1052 HydrophobicContact CD1-CG 4.46Å; L1044-L1052 WeakPolarHBondContact CG-O 3.42Å; E1047-L1052 HydrophobicContact CB-CB 4.2Å; E1047-L1052 HydrophobicContact CB-CD1 4.37Å; E1047-L1052 HydrophobicContact CG-CB 4.4Å; E1047-L1052 HydrophobicContact CG-CD1 3.98Å; D1049-L1052 HydrophobicContact CB-CB 4.11Å; D1049-L1052 HydrophobicContact CB-CD1 4.16Å; D1049-L1052 HydrophobicContact CB-CG 3.93Å; D1049-L1052 PolarHBondContact O-N 3.45Å; S1050-L1052 VanDerWaalsContact C-N 3.33Å; L1052-Y1054 PolarHBondContact O-N 3.02Å; L1052-L1055 WeakPolarHBondContact O-CB 3.14Å; L1052-L1055 PolarHBondContact O-N 3.02Å; L1052-L1055 VanDerWaalsContact O-N 3.1Å; L1052-S1056 PolarHBondContact O-N 2.99Å
1053	R	83.3	Confident	81	Confident	100 Å²	100	58 Å²	58	38%	0.377	31%	0.306	S	S	.	.	H	α-helix	trans	-62.8	-32.5	173.2	-67.9	-167.6	-55.7	-86	-8.3	112.3	E1047 S1048 D1049 S1056 F1057	E1047-R1053 WeakPolarHBondContact O-CD 3.26Å; E1047-R1053 PolarHBondContact O-NH1 3.25Å; S1048-R1053 PolarHBondContact O-NH1 2.97Å; D1049-R1053 PolarHBondContact O-N 2.98Å; R1053-S1056 WeakPolarHBondContact O-CB 3.17Å; R1053-S1056 PolarHBondContact O-N 3.32Å; R1053-F1057 PolarHBondContact O-N 3.48Å
1054	Y	83.7	Confident	80.1	Confident	126 Å²	126	62.3 Å²	62.3	49%	0.494	32%	0.32	S	S	.	.	H	α-helix	trans	-67.8	-34.6	173.1	-174.2	-103.3	0	0	0	112.8	S1050 D1051 L1052 S1056 F1057 S1058	S1050-Y1054 PolarHBondContact O-N 3.39Å; S1050-Y1054 VanDerWaalsContact O-N 3.12Å; D1051-Y1054 PolarHBondContact O-N 3.5Å; L1052-Y1054 PolarHBondContact O-N 3.02Å; Y1054-S1056 VanDerWaalsContact C-N 3.29Å; Y1054-S1056 PolarHBondContact O-N 2.87Å; Y1054-F1057 HydrophobicContact CE2-CD1 4.34Å; Y1054-F1057 PolarHBondContact O-N 3.01Å; Y1054-F1057 VanDerWaalsContact O-N 3.11Å; Y1054-S1058 PolarHBondContact O-N 2.76Å
1055	L	85	Confident	79.4	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-61.6	-34.5	172	176.1	63.6	0	0	0	112.5	L896 Y899 F941 L1044 D1051 L1052 F1057 S1058 I1059	L896-L1055 HydrophobicContact CD2-CD1 4.46Å; L896-L1055 HydrophobicContact CD2-CD2 4.19Å; Y899-L1055 HydrophobicContact CD1-CD1 4.36Å; Y899-L1055 HydrophobicContact CD1-CD2 3.77Å; Y899-L1055 HydrophobicContact CD2-CB 4.31Å; Y899-L1055 HydrophobicContact CD2-CD1 4.14Å; Y899-L1055 HydrophobicContact CD2-CD2 4.31Å; Y899-L1055 HydrophobicContact CD2-CG 4.49Å; Y899-L1055 HydrophobicContact CE1-CD2 3.95Å; Y899-L1055 HydrophobicContact CE2-CB 4.45Å; Y899-L1055 HydrophobicContact CE2-CD2 4.47Å; Y899-L1055 HydrophobicContact CG-CD1 3.8Å; Y899-L1055 HydrophobicContact CG-CD2 3.98Å; Y899-L1055 HydrophobicContact CG-CG 4.37Å; F941-L1055 HydrophobicContact CZ-CD2 3.81Å; L1044-L1055 HydrophobicContact CD2-CB 4.08Å; L1044-L1055 HydrophobicContact CD2-CD2 4.1Å; L1044-L1055 HydrophobicContact CD2-CG 3.91Å; D1051-L1055 PolarHBondContact O-N 2.99Å; L1052-L1055 WeakPolarHBondContact O-CB 3.14Å; L1052-L1055 PolarHBondContact O-N 3.02Å; L1052-L1055 VanDerWaalsContact O-N 3.1Å; L1055-F1057 VanDerWaalsContact C-N 3.3Å; L1055-F1057 PolarHBondContact O-N 3.25Å; L1055-S1058 PolarHBondContact O-N 3.48Å; L1055-S1058 PolarHBondContact O-OG 2.87Å; L1055-I1059 HydrophobicContact CD1-CD1 3.84Å; L1055-I1059 HydrophobicContact CD1-CG1 4Å; L1055-I1059 HydrophobicContact CG-CD1 3.85Å; L1055-I1059 HydrophobicContact CG-CG1 4.43Å; L1055-I1059 VanDerWaalsContact O-CG1 3.3Å; L1055-I1059 WeakPolarHBondContact O-CG1 3.21Å; L1055-I1059 PolarHBondContact O-N 3.39Å
1056	S	83.2	Confident	78.4	Confident	8 Å²	8	62.2 Å²	62.2	6%	0.056	33%	0.326	C	S	.	.	H	α-helix	trans	-60.1	-42.9	172.2	-171.8	0	0	0	0	111.6	L1045 L1052 R1053 Y1054 D1060	L1045-S1056 WeakPolarHBondContact CD2-OG 3.32Å; L1045-S1056 WeakPolarHBondContact CG-OG 3.44Å; L1052-S1056 PolarHBondContact O-N 2.99Å; R1053-S1056 WeakPolarHBondContact O-CB 3.17Å; R1053-S1056 PolarHBondContact O-N 3.32Å; Y1054-S1056 VanDerWaalsContact C-N 3.29Å; Y1054-S1056 PolarHBondContact O-N 2.87Å; S1056-D1060 PolarHBondContact O-N 2.93Å
1057	F	80.9	Confident	77.4	Confident	131 Å²	131	58.6 Å²	58.6	58%	0.575	32%	0.321	S	S	*	.	H	α-helix	trans	-71.8	-32	179.4	-176.5	-100.7	0	0	0	113	R1053 Y1054 L1055 S1061	R1053-F1057 PolarHBondContact O-N 3.48Å; Y1054-F1057 HydrophobicContact CE2-CD1 4.34Å; Y1054-F1057 PolarHBondContact O-N 3.01Å; Y1054-F1057 VanDerWaalsContact O-N 3.11Å; L1055-F1057 VanDerWaalsContact C-N 3.3Å; L1055-F1057 PolarHBondContact O-N 3.25Å; F1057-S1061 WeakPolarHBondContact O-CA 3.14Å; F1057-S1061 WeakPolarHBondContact O-CB 3.33Å; F1057-S1061 PolarHBondContact O-N 2.8Å
1058	S	80.2	Confident	76.3	Confident	29 Å²	29	60.7 Å²	60.7	20%	0.203	33%	0.33	C	S	.	.	H	α-helix	trans	-75.1	-31.7	176.2	72.9	0	0	0	0	112.9	Y1054 L1055	Y1054-S1058 PolarHBondContact O-N 2.76Å; L1055-S1058 PolarHBondContact O-N 3.48Å; L1055-S1058 PolarHBondContact O-OG 2.87Å
1059	I	81.9	Confident	75	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-70.7	-57.5	172.3	-67.4	167.6	0	0	0	110.8	F892 Q895 L896 F1040 L1041 L1055 Y1065	F892-I1059 HydrophobicContact CD2-CG2 3.52Å; F892-I1059 HydrophobicContact CE2-CD1 4.3Å; F892-I1059 HydrophobicContact CE2-CG2 3.7Å; Q895-I1059 HydrophobicContact CB-CG1 3.93Å; L896-I1059 HydrophobicContact CD2-CD1 4.05Å; L896-I1059 HydrophobicContact CG-CD1 4.49Å; F1040-I1059 HydrophobicContact CE1-CD1 4.01Å; L1041-I1059 HydrophobicContact CD1-CG2 4.44Å; L1041-I1059 HydrophobicContact CD2-CB 4.06Å; L1041-I1059 HydrophobicContact CD2-CD1 4.39Å; L1041-I1059 HydrophobicContact CD2-CG2 3.91Å; L1055-I1059 HydrophobicContact CD1-CD1 3.84Å; L1055-I1059 HydrophobicContact CD1-CG1 4Å; L1055-I1059 HydrophobicContact CG-CD1 3.85Å; L1055-I1059 HydrophobicContact CG-CG1 4.43Å; L1055-I1059 VanDerWaalsContact O-CG1 3.3Å; L1055-I1059 WeakPolarHBondContact O-CG1 3.21Å; L1055-I1059 PolarHBondContact O-N 3.39Å; I1059-Y1065 HydrophobicContact CG2-CE2 4.21Å
1060	D	80.3	Confident	73.3	Confident	10 Å²	10	60.6 Å²	60.6	5%	0.053	33%	0.328	C	S	.	.	S	Bend	trans	-105.4	46.8	-175.8	-157.7	13.5	0	0	0	113.7	L1041 S1056 S1062 N1063 W1064 Y1065	L1041-D1060 HydrophobicContact CD1-CB 4.06Å; S1056-D1060 PolarHBondContact O-N 2.93Å; D1060-S1062 PolarHBondContact O-N 3.04Å; D1060-N1063 PolarHBondContact O-N 3.34Å; D1060-N1063 VanDerWaalsContact O-N 3.07Å; D1060-N1063 WeakPolarHBondContact OD1-CA 3.21Å; D1060-N1063 PolarHBondContact OD1-N 2.78Å; D1060-N1063 VanDerWaalsContact OD1-N 3.17Å; D1060-N1063 WeakPolarHBondContact OD2-CA 3.38Å; D1060-W1064 PolarHBondContact OD1-N 3.27Å; D1060-W1064 PolarHBondContact OD2-N 3.24Å; D1060-Y1065 HydrophobicContact CB-CD2 3.94Å; D1060-Y1065 PolarHBondContact OD1-N 3.17Å; D1060-Y1065 WeakPolarHBondContact OD2-CB 3.41Å; D1060-Y1065 PolarHBondContact OD2-N 3.19Å; D1060-Y1065 VanDerWaalsContact OD2-N 3.11Å
1061	S	65.4	Low	71.1	Confident	32 Å²	32	65.1 Å²	65.1	22%	0.224	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-2.2	177.8	58.4	0	0	0	0	115.8	R238 F1057	R238-S1061 PolarHBondContact NH2-OG 3.34Å; R238-S1061 VanDerWaalsContact NH2-OG 3.17Å; F1057-S1061 WeakPolarHBondContact O-CA 3.14Å; F1057-S1061 WeakPolarHBondContact O-CB 3.33Å; F1057-S1061 PolarHBondContact O-N 2.8Å
1062	S	65.4	Low	70.6	Confident	82 Å²	82	66.4 Å²	66.4	57%	0.573	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.8	6.9	-177	53	0	0	0	0	113.9	D1060 W1064	D1060-S1062 PolarHBondContact O-N 3.04Å; S1062-W1064 PolarHBondContact O-N 3.47Å; S1062-W1064 VanDerWaalsContact O-N 3.14Å
1063	N	64.8	Low	69.9	Low	114 Å²	114	69.8 Å²	69.8	61%	0.61	40%	0.398	S	S	*	.			trans	50.6	31.2	-173	-62.8	-24	0	0	0	114	D1060 C1066 S1067	D1060-N1063 PolarHBondContact O-N 3.34Å; D1060-N1063 VanDerWaalsContact O-N 3.07Å; D1060-N1063 WeakPolarHBondContact OD1-CA 3.21Å; D1060-N1063 PolarHBondContact OD1-N 2.78Å; D1060-N1063 VanDerWaalsContact OD1-N 3.17Å; D1060-N1063 WeakPolarHBondContact OD2-CA 3.38Å; N1063-C1066 HydrophobicContact CB-CB 4.42Å; N1063-S1067 PolarHBondContact O-N 3.37Å
1064	W	70.8	Confident	69.1	Low	121 Å²	121	68.2 Å²	68.2	46%	0.458	40%	0.399	S	S	.	.	H	α-helix	trans	-69.6	-41.9	-177.7	178	-102.3	0	0	0	111.7	D1060 S1062 C1066 S1067 K1068	D1060-W1064 PolarHBondContact OD1-N 3.27Å; D1060-W1064 PolarHBondContact OD2-N 3.24Å; S1062-W1064 PolarHBondContact O-N 3.47Å; S1062-W1064 VanDerWaalsContact O-N 3.14Å; W1064-C1066 VanDerWaalsContact C-N 3.35Å; W1064-S1067 PolarHBondContact O-N 2.91Å; W1064-S1067 VanDerWaalsContact O-N 3.14Å; W1064-S1067 PolarHBondContact O-OG 2.97Å; W1064-K1068 VanDerWaalsContact CZ2-CE 3.48Å; W1064-K1068 WeakPolarHBondContact O-CB 3.46Å; W1064-K1068 WeakPolarHBondContact O-CG 2.86Å; W1064-K1068 PolarHBondContact O-N 3.09Å
1065	Y	72.7	Confident	68.3	Low	4 Å²	4	64.8 Å²	64.8	2%	0.016	39%	0.393	C	S	.	.	H	α-helix	trans	-67.2	-40.3	179.2	-67.4	-86.3	0	0	0	110.5	S888 Y1033 Y1034 A1037 L1041 I1059 D1060 S1067 K1068 C1069	S888-Y1065 PolarHBondContact O-OH 2.95Å; S888-Y1065 PolarHBondContact OG-OH 3.21Å; S888-Y1065 VanDerWaalsContact OG-OH 3.1Å; Y1033-Y1065 HydrophobicContact CE1-CE1 4.01Å; Y1033-Y1065 PolarHBondContact OH-OH 3.14Å; Y1033-Y1065 VanDerWaalsContact OH-OH 3.05Å; Y1034-Y1065 AromaticContact CD1-CD1 4Å; Y1034-Y1065 HydrophobicContact CD1-CD1 4Å; Y1034-Y1065 HydrophobicContact CD1-CE1 4.23Å; Y1034-Y1065 HydrophobicContact CE1-CD1 4.31Å; Y1034-Y1065 HydrophobicContact CE1-CE1 4.24Å; A1037-Y1065 HydrophobicContact CB-CD1 3.84Å; A1037-Y1065 HydrophobicContact CB-CE1 3.9Å; L1041-Y1065 HydrophobicContact CD1-CD2 3.94Å; L1041-Y1065 HydrophobicContact CD1-CG 3.86Å; I1059-Y1065 HydrophobicContact CG2-CE2 4.21Å; D1060-Y1065 HydrophobicContact CB-CD2 3.94Å; D1060-Y1065 PolarHBondContact OD1-N 3.17Å; D1060-Y1065 WeakPolarHBondContact OD2-CB 3.41Å; D1060-Y1065 PolarHBondContact OD2-N 3.19Å; D1060-Y1065 VanDerWaalsContact OD2-N 3.11Å; Y1065-S1067 PolarHBondContact O-N 3.05Å; Y1065-K1068 PolarHBondContact O-N 3.47Å; Y1065-C1069 PolarHBondContact O-N 2.98Å; Y1065-C1069 VanDerWaalsContact O-N 3.17Å
1066	C	62.6	Low	67.2	Low	97 Å²	97	68.8 Å²	68.8	66%	0.655	42%	0.418	S	S	*	.	H	α-helix	trans	-56.6	-33.7	171.7	-60	0	0	0	0	113.3	N1063 W1064 K1068	N1063-C1066 HydrophobicContact CB-CB 4.42Å; W1064-C1066 VanDerWaalsContact C-N 3.35Å; C1066-K1068 VanDerWaalsContact C-N 3.34Å
1067	S	64.1	Low	66.1	Low	87 Å²	87	72.9 Å²	72.9	61%	0.608	44%	0.442	S	S	*	.	H	α-helix	trans	-79.8	-12.8	177	79.5	0	0	0	0	114.8	N1063 W1064 Y1065	N1063-S1067 PolarHBondContact O-N 3.37Å; W1064-S1067 PolarHBondContact O-N 2.91Å; W1064-S1067 VanDerWaalsContact O-N 3.14Å; W1064-S1067 PolarHBondContact O-OG 2.97Å; Y1065-S1067 PolarHBondContact O-N 3.05Å
1068	K	63.2	Low	65.1	Low	79 Å²	79	68.7 Å²	68.7	34%	0.343	43%	0.433	S	S	.	.	H	α-helix	trans	-108.7	-18.8	-169.5	-84.7	-73.6	-170.6	170.2	0	114.4	Y1034 W1064 Y1065 C1066	Y1034-K1068 HydrophobicContact CD1-CB 3.76Å; Y1034-K1068 HydrophobicContact CD1-CG 4.31Å; Y1034-K1068 HydrophobicContact CE1-CB 3.86Å; Y1034-K1068 HydrophobicContact CE1-CD 4.22Å; Y1034-K1068 HydrophobicContact CE1-CG 3.88Å; Y1034-K1068 HydrophobicContact CE2-CD 4.22Å; Y1034-K1068 HydrophobicContact CG-CB 4.22Å; W1064-K1068 VanDerWaalsContact CZ2-CE 3.48Å; W1064-K1068 WeakPolarHBondContact O-CB 3.46Å; W1064-K1068 WeakPolarHBondContact O-CG 2.86Å; W1064-K1068 PolarHBondContact O-N 3.09Å; Y1065-K1068 PolarHBondContact O-N 3.47Å; C1066-K1068 VanDerWaalsContact C-N 3.34Å
1069	C	55.3	Low	63.9	Low	48 Å²	48	71.8 Å²	71.8	32%	0.324	45%	0.45	S	S	.	.	S	Bend	trans	-66.3	132.6	177.4	-158.6	0	0	0	0	110.4	Y1065	Y1065-C1069 PolarHBondContact O-N 2.98Å; Y1065-C1069 VanDerWaalsContact O-N 3.17Å
1070	P	47.6	Very low	62.4	Low	82 Å²	82	77.6 Å²	77.6	53%	0.532	49%	0.487	S	S	.	.			trans	-55.9	146.4	159.1	-20.1	32.9	0	0	0	110
1071	A	37	Very low	60.8	Low	175 Å²	175	83.7 Å²	83.7	100%	1.446	53%	0.526	S	S	*	.			trans	-82.2	0	174.9	0	0	0	0	0	111.7

Retrieved 1,071 of 1,071 residues in 1979.9 ms (Link to these results)

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