A0A077ZDJ8_TRITR Loading...

protein kinase C

AlphaFold DB , UniProt , Accession A0A077ZDJ8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,045 aa.

						>A0A077ZDJ8_TRITR|A0A077ZDJ8
MEIMAPAHNLIPEQLRELSHKYGLNVDADSSLLKHDENSLQKLVGDLKKLIRSLIAREMRIKEGYDNMRRAVKEKKQVEKVKKDLRSISEKIDDLHSDLFTIEMYATGTADNTDANADYDETLDISNSAINSKVAGLTRELERESKVKDGLYFFHQSLEKFMLMCKDKKMLDVSRQMLDDSKAKLEWLRIELARVQQLQSLNLSSSLEGRQVCPHLIFIHPIILSAGISLASDVEVLVDELLLRLRKEAAMHEGAKNMVKILTPNKNVEKRSLQDVRIDHCSFSRLSSRCSFKAMDSLRESQDKLDLICIALEKHCQQLPSQSPKRDCVKTDIAHTNPSLYRNRSEESPDETSLANSSANLLLNRQCMAVSLAVSGKLEVSITSLSVSSVRLMGCQSLLTDIPGRTMDGSGYSIDGGLYNVRKSKSVSSRASVYKVKDNLSALDEFIWLDEIYAVLRVDGRKVAETEPKPLSQQAWDQRFSIDLERARELEVNVYWNDWRSMCAFTFLKLGNLIDSYQDGRAIQLEPQGTLFAEIRYLNPVISRKPKLQRQRKLFRVKAQKVLPVRPGQMHVAAWGRIIKQFFPQMCQDAVATTSPSGSAVNGRSRLITQLSEPSFRLTSSIDKNESVRGAQVTSGLYPSLRELQERVKADDAVPYSKRLVQSAAPSMDEKLRVSQEMRRLEKEVLQLKLSTRGANSASSIGLPTAEQAMMTIADFKLVSVLGRGHFGKVILSRYRRDDNYYALKILKKADILARDEVESLMAEKRIFEIVNRSKHPFLTNLYACFQTRDHVCFVMEYAMGGDLMRHIHDDIFSEERACFYAGCVTLGLQYLHDNKIMYRDLKLDNLLLDREGYLKIADFGLCKENMGFDDRTSTFCGTPEFLAPEVLTENQYTRSVDWWGLGVLIFEMLVGEPPFSGDDEEEIFDSIVNDDVRYPRFLSIEAISIMRRLLRKNPAKRLGSTEADAEEVKKQRFFRLINWQWEDLLMKRIKPIFVPTIRSPEDVSNFDEEFTKEVPQFSPPKDRRSVSSMDQAYFRDFDYVADIS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.4	Very low	40.6	Very low	239 Å²	239	143 Å²	143	100%	1.177	79%	0.786	S	S	*	*				0	71.2	0	-70.3	-174.8	-128.8	0	0	105.7
2	E	31.4	Very low	43.2	Very low	185 Å²	185	134.3 Å²	134.3	86%	0.864	74%	0.741	S	S	*	*				42.8	99.7	95.4	-89.9	-176.4	167.6	0	0	110.9
3	I	37.7	Very low	45.6	Very low	158 Å²	158	132.8 Å²	132.8	81%	0.81	73%	0.726	S	S	*	*			trans	175.8	106.9	139.6	-83.8	149.6	0	0	0	108.8
4	M	35	Very low	47.9	Very low	176 Å²	176	127.9 Å²	127.9	87%	0.867	70%	0.695	S	S	*	*			trans	71.2	107.6	143.9	-59.4	177.3	77.2	0	0	121.1
5	A	31.4	Very low	50.1	Low	98 Å²	98	119.3 Å²	119.3	81%	0.81	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-77.6	139.5	159.5	0	0	0	0	0	111
6	P	36.6	Very low	52	Low	115 Å²	115	119.9 Å²	119.9	75%	0.747	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-84.1	144.2	171.7	32.9	-29.4	0	0	0	111.4
7	A	32.1	Very low	53.9	Low	101 Å²	101	119.8 Å²	119.8	84%	0.835	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-78.9	118.5	-166.4	0	0	0	0	0	113.5
8	H	36.3	Very low	55.7	Low	161 Å²	161	113.8 Å²	113.8	75%	0.745	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-96.6	137.6	166.5	-78.1	-84.8	0	0	0	110.6
9	N	47.7	Very low	57.3	Low	122 Å²	122	108 Å²	108	65%	0.652	57%	0.571	S	S	*	*			trans	84.7	56.8	161.3	-50.3	-32.2	0	0	0	119.5
10	L	58.3	Low	58.6	Low	158 Å²	158	109.8 Å²	109.8	83%	0.827	58%	0.576	S	S	*	*			trans	-121.1	146	160.9	-98.4	86.3	0	0	0	111.4
11	I	63.8	Low	60.1	Low	60 Å²	60	110.2 Å²	110.2	31%	0.308	57%	0.573	S	S	.	*			trans	-59.7	129.7	169.4	-65.2	166.6	0	0	0	108.3	E13 L15 V26 L40 L43	I11-E13 PolarHBondContact O-N 2.71Å; I11-L15 HydrophobicContact CG2-CB 3.97Å; I11-V26 HydrophobicContact CD1-CG1 3.59Å; I11-L40 HydrophobicContact CG1-CD1 4.38Å; I11-L40 HydrophobicContact CG2-CD1 4.38Å; I11-L43 HydrophobicContact CG2-CD2 4.3Å
12	P	71.4	Confident	62.7	Low	38 Å²	38	100.7 Å²	100.7	25%	0.247	52%	0.524	C	S	.	.			trans	-54.4	136.3	179.9	-27.7	35.8	0	0	0	112.2	Q14 L15 R16 Y105	P12-Q14 PolarHBondContact O-N 3.44Å; P12-L15 HydrophobicContact CB-CB 4.45Å; P12-L15 HydrophobicContact CB-CD1 4.46Å; P12-L15 HydrophobicContact CG-CD1 4.21Å; P12-L15 WeakPolarHBondContact O-CA 3.38Å; P12-L15 WeakPolarHBondContact O-CB 3.45Å; P12-L15 PolarHBondContact O-N 3.44Å; P12-R16 PolarHBondContact O-N 3.42Å; P12-R16 VanDerWaalsContact O-N 3.14Å; P12-Y105 HydrophobicContact CB-CD1 4.33Å; P12-Y105 HydrophobicContact CB-CE1 3.43Å; P12-Y105 VanDerWaalsContact CB-CE1 3.43Å; P12-Y105 WeakPolarHBondContact CB-OH 3.39Å; P12-Y105 HydrophobicContact CG-CD1 3.85Å; P12-Y105 HydrophobicContact CG-CE1 3.32Å
13	E	74.5	Confident	65.1	Low	116 Å²	116	94.7 Å²	94.7	54%	0.542	51%	0.512	S	S	.	.	H	α-helix	trans	-55.6	-39.3	-174.2	-178.6	159	-135.8	0	0	112.7	I11 L15 R16 E17	I11-E13 PolarHBondContact O-N 2.71Å; E13-L15 VanDerWaalsContact C-N 3.33Å; E13-L15 PolarHBondContact O-N 3.32Å; E13-R16 CarbonylContact O-C 3.53Å; E13-R16 WeakPolarHBondContact O-CA 3.48Å; E13-R16 WeakPolarHBondContact O-CB 3.42Å; E13-R16 PolarHBondContact O-N 3.17Å; E13-R16 IonicContact OE1-NH2 3.78Å; E13-E17 WeakPolarHBondContact O-CG 3.32Å; E13-E17 PolarHBondContact O-N 3.44Å
14	Q	77.7	Confident	66.9	Low	63 Å²	63	89.7 Å²	89.7	29%	0.294	49%	0.487	S	S	.	.	H	α-helix	trans	-62	-37.8	176.3	-64.5	164.4	-12.4	0	0	112.5	P12 R16 E17 L18 T101 Y105	P12-Q14 PolarHBondContact O-N 3.44Å; Q14-R16 VanDerWaalsContact C-N 3.34Å; Q14-E17 PolarHBondContact O-N 3.04Å; Q14-L18 WeakPolarHBondContact O-CB 3.42Å; Q14-L18 VanDerWaalsContact O-CG 3.3Å; Q14-L18 WeakPolarHBondContact O-CG 3.35Å; Q14-L18 PolarHBondContact O-N 3.44Å; Q14-T101 HydrophobicContact CB-CG2 4.45Å; Q14-Y105 HydrophobicContact CB-CE2 4.49Å; Q14-Y105 PolarHBondContact OE1-OH 3.19Å
15	L	80.6	Confident	68.2	Low	0 Å²	0	87.5 Å²	87.5	0%	0	48%	0.478	C	S	.	.	H	α-helix	trans	-68.3	-34.9	174.3	-102.4	160.9	0	0	0	111.5	I11 P12 E13 S19 L40 L43 V44 L47 Y105	I11-L15 HydrophobicContact CG2-CB 3.97Å; P12-L15 HydrophobicContact CB-CB 4.45Å; P12-L15 HydrophobicContact CB-CD1 4.46Å; P12-L15 HydrophobicContact CG-CD1 4.21Å; P12-L15 WeakPolarHBondContact O-CA 3.38Å; P12-L15 WeakPolarHBondContact O-CB 3.45Å; P12-L15 PolarHBondContact O-N 3.44Å; E13-L15 VanDerWaalsContact C-N 3.33Å; E13-L15 PolarHBondContact O-N 3.32Å; L15-S19 WeakPolarHBondContact O-CB 3.38Å; L15-S19 PolarHBondContact O-N 3.47Å; L15-L40 HydrophobicContact CD1-CD1 4.03Å; L15-L43 HydrophobicContact CD2-CD2 4.4Å; L15-V44 HydrophobicContact CD1-CG2 4.13Å; L15-V44 HydrophobicContact CD2-CG2 4.04Å; L15-L47 HydrophobicContact CD2-CD1 3.56Å; L15-Y105 HydrophobicContact CD1-CD1 3.67Å; L15-Y105 HydrophobicContact CD1-CD2 3.48Å; L15-Y105 VanDerWaalsContact CD1-CD2 3.48Å; L15-Y105 HydrophobicContact CD1-CE1 4.15Å; L15-Y105 HydrophobicContact CD1-CE2 3.99Å; L15-Y105 HydrophobicContact CD1-CG 3.3Å; L15-Y105 HydrophobicContact CG-CD2 3.7Å; L15-Y105 HydrophobicContact CG-CE2 3.99Å; L15-Y105 HydrophobicContact CG-CG 4.07Å
16	R	80.5	Confident	69.7	Low	129 Å²	129	85.3 Å²	85.3	49%	0.487	46%	0.455	S	S	.	.	H	α-helix	trans	-68.4	-40.2	174.6	-162.1	-178.1	82.2	-132	-3.8	111.7	P12 E13 Q14 S19 H20	P12-R16 PolarHBondContact O-N 3.42Å; P12-R16 VanDerWaalsContact O-N 3.14Å; E13-R16 CarbonylContact O-C 3.53Å; E13-R16 WeakPolarHBondContact O-CA 3.48Å; E13-R16 WeakPolarHBondContact O-CB 3.42Å; E13-R16 PolarHBondContact O-N 3.17Å; E13-R16 IonicContact OE1-NH2 3.78Å; Q14-R16 VanDerWaalsContact C-N 3.34Å; R16-S19 PolarHBondContact O-N 3.03Å; R16-S19 PolarHBondContact O-OG 3.27Å; R16-S19 VanDerWaalsContact O-OG 3.08Å; R16-H20 WeakPolarHBondContact O-CB 3.47Å; R16-H20 PolarHBondContact O-N 3.06Å
17	E	84.6	Confident	70.6	Confident	118 Å²	118	86.3 Å²	86.3	55%	0.551	45%	0.454	S	S	*	.	H	α-helix	trans	-64.8	-44	174.8	-72.8	179	172.1	0	0	111.7	E13 Q14 H20 K21	E13-E17 WeakPolarHBondContact O-CG 3.32Å; E13-E17 PolarHBondContact O-N 3.44Å; Q14-E17 PolarHBondContact O-N 3.04Å; E17-H20 PolarHBondContact O-N 3.13Å; E17-K21 VanDerWaalsContact O-CB 3.31Å; E17-K21 WeakPolarHBondContact O-CB 3.31Å; E17-K21 PolarHBondContact O-N 3.43Å
18	L	87	Confident	71.4	Confident	12 Å²	12	86.5 Å²	86.5	6%	0.063	46%	0.455	C	S	.	.	H	α-helix	trans	-67.2	-40.3	175.7	-70	176.5	0	0	0	111.9	Q14 H20 K21 Y22 D98 T101 I102	Q14-L18 WeakPolarHBondContact O-CB 3.42Å; Q14-L18 VanDerWaalsContact O-CG 3.3Å; Q14-L18 WeakPolarHBondContact O-CG 3.35Å; Q14-L18 PolarHBondContact O-N 3.44Å; L18-H20 VanDerWaalsContact C-N 3.29Å; L18-H20 PolarHBondContact O-N 3.36Å; L18-K21 HydrophobicContact CD2-CD 4.24Å; L18-K21 PolarHBondContact O-N 2.9Å; L18-Y22 HydrophobicContact CD2-CE2 4.08Å; L18-Y22 WeakPolarHBondContact O-CB 3.48Å; L18-Y22 WeakPolarHBondContact O-CD2 3.39Å; L18-Y22 PolarHBondContact O-N 3.08Å; L18-D98 HydrophobicContact CD2-CB 3.8Å; L18-D98 VanDerWaalsContact CD2-CG 3.44Å; L18-D98 WeakPolarHBondContact CD2-OD1 3.38Å; L18-T101 HydrophobicContact CD1-CG2 3.65Å; L18-I102 HydrophobicContact CD1-CD1 4.15Å; L18-I102 HydrophobicContact CD1-CG1 3.74Å
19	S	84.9	Confident	71.5	Confident	3 Å²	3	86 Å²	86	2%	0.021	46%	0.458	C	S	.	.	H	α-helix	trans	-60	-43.3	175.2	90.1	0	0	0	0	110.9	L15 R16 Y22 G23 L24	L15-S19 WeakPolarHBondContact O-CB 3.38Å; L15-S19 PolarHBondContact O-N 3.47Å; R16-S19 PolarHBondContact O-N 3.03Å; R16-S19 PolarHBondContact O-OG 3.27Å; R16-S19 VanDerWaalsContact O-OG 3.08Å; S19-Y22 CarbonylContact O-C 3.5Å; S19-Y22 PolarHBondContact O-N 3.33Å; S19-G23 PolarHBondContact O-N 3.38Å; S19-L24 CarbonylContact C-O 3.5Å; S19-L24 WeakPolarHBondContact CB-O 3.4Å; S19-L24 CarbonylContact O-C 3.56Å; S19-L24 PolarHBondContact O-N 3.02Å; S19-L24 PolarHBondContact OG-O 2.88Å
20	H	84.9	Confident	71.2	Confident	144 Å²	144	84.1 Å²	84.1	67%	0.667	46%	0.455	S	S	*	.	H	α-helix	trans	-66.9	-43.2	175.1	-171.8	-91.5	0	0	0	112.7	R16 E17 L18 Y22 G23	R16-H20 WeakPolarHBondContact O-CB 3.47Å; R16-H20 PolarHBondContact O-N 3.06Å; E17-H20 PolarHBondContact O-N 3.13Å; L18-H20 VanDerWaalsContact C-N 3.29Å; L18-H20 PolarHBondContact O-N 3.36Å; H20-Y22 PolarHBondContact O-N 3.47Å; H20-G23 PolarHBondContact O-N 2.93Å
21	K	89.8	Confident	70.5	Confident	118 Å²	118	82.4 Å²	82.4	51%	0.513	46%	0.456	S	S	.	.	H	α-helix	trans	-56.1	-36.6	176.5	-176.3	177.8	-178.8	179.3	0	111.9	E17 L18 D98	E17-K21 VanDerWaalsContact O-CB 3.31Å; E17-K21 WeakPolarHBondContact O-CB 3.31Å; E17-K21 PolarHBondContact O-N 3.43Å; L18-K21 HydrophobicContact CD2-CD 4.24Å; L18-K21 PolarHBondContact O-N 2.9Å; K21-D98 WeakPolarHBondContact CD-OD2 3.32Å; K21-D98 WeakPolarHBondContact CE-OD2 3.31Å; K21-D98 VanDerWaalsContact NZ-CG 3.34Å; K21-D98 IonicContact NZ-OD1 2.87Å; K21-D98 PolarHBondContact NZ-OD1 3.38Å; K21-D98 IonicContact NZ-OD2 3.03Å; K21-D98 PolarHBondContact NZ-OD2 3.11Å
22	Y	89.5	Confident	69.4	Low	40 Å²	40	86.5 Å²	86.5	16%	0.157	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	10.7	-176.5	-69.2	-67.6	0	0	0	114.8	L18 S19 H20 L24 L47 L50 I51 L54 L95 D98	L18-Y22 HydrophobicContact CD2-CE2 4.08Å; L18-Y22 WeakPolarHBondContact O-CB 3.48Å; L18-Y22 WeakPolarHBondContact O-CD2 3.39Å; L18-Y22 PolarHBondContact O-N 3.08Å; S19-Y22 CarbonylContact O-C 3.5Å; S19-Y22 PolarHBondContact O-N 3.33Å; H20-Y22 PolarHBondContact O-N 3.47Å; Y22-L24 PolarHBondContact O-N 3.23Å; Y22-L47 HydrophobicContact CD2-CD2 4.12Å; Y22-L47 HydrophobicContact CG-CD2 4.48Å; Y22-L50 HydrophobicContact CD1-CD2 4.49Å; Y22-L50 HydrophobicContact CG-CD2 4.37Å; Y22-L50 WeakPolarHBondContact O-CD2 3.44Å; Y22-I51 HydrophobicContact CD1-CG1 4.45Å; Y22-I51 HydrophobicContact CD2-CD1 3.84Å; Y22-I51 HydrophobicContact CD2-CG1 4.09Å; Y22-I51 HydrophobicContact CE1-CD1 4.44Å; Y22-I51 HydrophobicContact CE1-CG1 4.14Å; Y22-I51 HydrophobicContact CE2-CD1 3.27Å; Y22-I51 HydrophobicContact CE2-CG1 3.78Å; Y22-I51 HydrophobicContact CG-CG1 4.44Å; Y22-L54 HydrophobicContact CD1-CD1 3.61Å; Y22-L54 HydrophobicContact CE1-CD1 3.33Å; Y22-L95 HydrophobicContact CE1-CD2 4.08Å; Y22-L95 WeakPolarHBondContact OH-CD2 3.33Å; Y22-D98 HydrophobicContact CE2-CB 4.06Å; Y22-D98 WeakPolarHBondContact CE2-OD2 3.33Å; Y22-D98 PolarHBondContact OH-OD2 3.43Å
23	G	82.4	Confident	68.1	Low	59 Å²	59	90 Å²	90	61%	0.608	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	20.6	173.3	0	0	0	0	0	115.5	S19 H20	S19-G23 PolarHBondContact O-N 3.38Å; H20-G23 PolarHBondContact O-N 2.93Å
24	L	74.9	Confident	66.4	Low	53 Å²	53	92.5 Å²	92.5	28%	0.277	50%	0.503	S	S	.	.			trans	-94.5	90.7	169.3	-66.9	170	0	0	0	108.3	S19 Y22 V26 L43 D46 L47 L50	S19-L24 CarbonylContact C-O 3.5Å; S19-L24 WeakPolarHBondContact CB-O 3.4Å; S19-L24 CarbonylContact O-C 3.56Å; S19-L24 PolarHBondContact O-N 3.02Å; S19-L24 PolarHBondContact OG-O 2.88Å; Y22-L24 PolarHBondContact O-N 3.23Å; L24-V26 PolarHBondContact O-N 3Å; L24-L43 HydrophobicContact CB-CD1 4.47Å; L24-D46 HydrophobicContact CD1-CB 4.34Å; L24-L47 HydrophobicContact CD1-CD2 3.72Å; L24-L47 HydrophobicContact CD1-CG 3.74Å; L24-L50 HydrophobicContact CD1-CD2 4.36Å
25	N	62.9	Low	64.8	Low	130 Å²	130	97.9 Å²	97.9	70%	0.695	53%	0.528	S	S	*	.			trans	-67.3	118.6	177.2	-78.7	-11.3	0	0	0	110.3
26	V	62.6	Low	63.4	Low	51 Å²	51	101.3 Å²	101.3	31%	0.309	55%	0.546	S	S	.	.			trans	-97.6	106.2	167	-178.5	0	0	0	0	105.7	I11 L24 A28 L43	I11-V26 HydrophobicContact CD1-CG1 3.59Å; L24-V26 PolarHBondContact O-N 3Å; V26-A28 PolarHBondContact O-N 3.39Å; V26-L43 HydrophobicContact CG2-CD1 4.08Å; V26-L43 HydrophobicContact CG2-CD2 3.89Å
27	D	56.1	Low	62.3	Low	137 Å²	137	102.9 Å²	102.9	73%	0.733	56%	0.559	S	S	*	*			trans	-58.4	125.4	-174.1	-69	-38.8	0	0	0	111.3	D29	D27-D29 PolarHBondContact O-N 3.22Å
28	A	49.1	Very low	61.2	Low	105 Å²	105	102.4 Å²	102.4	87%	0.868	56%	0.56	S	S	*	*	S	Bend	trans	-74.5	-2.2	-179.7	0	0	0	0	0	113.7	V26	V26-A28 PolarHBondContact O-N 3.39Å
29	D	39.3	Very low	60.1	Low	149 Å²	149	104.3 Å²	104.3	80%	0.797	57%	0.574	S	S	*	*			trans	-122.6	82.5	-172.6	-88.6	-30.6	0	0	0	111.9	D27	D27-D29 PolarHBondContact O-N 3.22Å
30	S	40.3	Very low	59.3	Low	84 Å²	84	107.1 Å²	107.1	59%	0.587	59%	0.589	S	S	*	*			trans	-173.8	119.8	146.3	-103	0	0	0	0	112.7	L32	S30-L32 PolarHBondContact O-N 3.11Å
31	S	43.9	Very low	58.6	Low	122 Å²	122	106.6 Å²	106.6	85%	0.853	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	29.1	168.1	42.4	0	0	0	0	115.1
32	L	41.4	Very low	58	Low	146 Å²	146	107.8 Å²	107.8	76%	0.764	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.6	-0.1	-173.9	-86.8	156.8	0	0	0	114.8	S30 K34	S30-L32 PolarHBondContact O-N 3.11Å; L32-K34 VanDerWaalsContact C-N 3.31Å; L32-K34 PolarHBondContact O-N 2.87Å
33	L	42.7	Very low	57.7	Low	112 Å²	112	106.8 Å²	106.8	59%	0.586	59%	0.589	S	S	*	*			trans	-93.4	30.7	176.1	-78.1	165.6	0	0	0	114	H35	L33-H35 PolarHBondContact O-N 2.9Å
34	K	40.4	Very low	57.7	Low	167 Å²	167	104.3 Å²	104.3	73%	0.726	56%	0.562	S	S	*	*	S	Bend	trans	-79	108.5	162	-68	-178	178.7	-178.8	0	106.9	L32	L32-K34 VanDerWaalsContact C-N 3.31Å; L32-K34 PolarHBondContact O-N 2.87Å
35	H	42.8	Very low	58	Low	177 Å²	177	103 Å²	103	82%	0.819	56%	0.561	S	S	*	*	S	Bend	trans	96.2	57.9	172.3	-53.2	-73.9	0	0	0	119.7	L33	L33-H35 PolarHBondContact O-N 2.9Å
36	D	52.6	Low	59	Low	72 Å²	72	99.5 Å²	99.5	39%	0.385	54%	0.542	S	S	.	.			trans	-148.8	94.6	161.1	-162.7	29	0	0	0	114.8	N38 S39	D36-N38 PolarHBondContact O-N 3.19Å; D36-N38 VanDerWaalsContact O-N 3.17Å; D36-N38 VanDerWaalsContact OD1-CB 3.26Å; D36-N38 WeakPolarHBondContact OD1-CB 3.46Å; D36-N38 PolarHBondContact OD1-N 3.29Å; D36-N38 PolarHBondContact OD1-ND2 3.01Å; D36-S39 PolarHBondContact O-N 3.12Å; D36-S39 VanDerWaalsContact O-N 3.15Å; D36-S39 PolarHBondContact OD2-N 3.48Å; D36-S39 PolarHBondContact OD2-OG 3.44Å
37	E	56.8	Low	60.1	Low	162 Å²	162	97 Å²	97	76%	0.757	53%	0.528	S	S	*	.	H	α-helix	trans	-53.8	-27.8	167.3	-80	-176.1	131.3	0	0	112.3	S39 L40 Q41	E37-S39 VanDerWaalsContact C-N 3.29Å; E37-S39 PolarHBondContact O-N 3.1Å; E37-L40 PolarHBondContact O-N 2.86Å; E37-Q41 WeakPolarHBondContact O-CG 3.35Å; E37-Q41 PolarHBondContact O-N 3.3Å; E37-Q41 VanDerWaalsContact O-N 3.14Å
38	N	60.6	Low	61.5	Low	107 Å²	107	92.4 Å²	92.4	57%	0.572	50%	0.501	S	S	*	.	H	α-helix	trans	-66.5	-31.4	180	-60.9	-58.9	0	0	0	112.6	D36 K42	D36-N38 PolarHBondContact O-N 3.19Å; D36-N38 VanDerWaalsContact O-N 3.17Å; D36-N38 VanDerWaalsContact OD1-CB 3.26Å; D36-N38 WeakPolarHBondContact OD1-CB 3.46Å; D36-N38 PolarHBondContact OD1-N 3.29Å; D36-N38 PolarHBondContact OD1-ND2 3.01Å; N38-K42 VanDerWaalsContact O-CB 3.22Å; N38-K42 WeakPolarHBondContact O-CB 3.47Å; N38-K42 PolarHBondContact O-N 3.41Å
39	S	63.6	Low	63.2	Low	52 Å²	52	92.6 Å²	92.6	36%	0.364	48%	0.482	S	S	.	.	H	α-helix	trans	-70.5	-38.3	-179	-70.9	0	0	0	0	112	D36 E37 L43	D36-S39 PolarHBondContact O-N 3.12Å; D36-S39 VanDerWaalsContact O-N 3.15Å; D36-S39 PolarHBondContact OD2-N 3.48Å; D36-S39 PolarHBondContact OD2-OG 3.44Å; E37-S39 VanDerWaalsContact C-N 3.29Å; E37-S39 PolarHBondContact O-N 3.1Å; S39-L43 PolarHBondContact O-N 3.33Å
40	L	68.8	Low	65.5	Low	63 Å²	63	88.4 Å²	88.4	33%	0.33	46%	0.459	S	S	.	.	H	α-helix	trans	-67.8	-47.1	173.4	-174.3	73.3	0	0	0	111.3	I11 L15 E37 K42 L43 V44	I11-L40 HydrophobicContact CG1-CD1 4.38Å; I11-L40 HydrophobicContact CG2-CD1 4.38Å; L15-L40 HydrophobicContact CD1-CD1 4.03Å; E37-L40 PolarHBondContact O-N 2.86Å; L40-K42 VanDerWaalsContact C-N 3.27Å; L40-K42 PolarHBondContact O-N 2.82Å; L40-L43 PolarHBondContact O-N 3.2Å; L40-V44 WeakPolarHBondContact O-CB 3.46Å; L40-V44 VanDerWaalsContact O-CG2 3.32Å; L40-V44 WeakPolarHBondContact O-CG2 3.43Å; L40-V44 PolarHBondContact O-N 3.29Å
41	Q	71	Confident	67.8	Low	132 Å²	132	84.4 Å²	84.4	62%	0.617	43%	0.431	S	S	*	.	H	α-helix	trans	-61.8	-35.5	177.7	-72	-173.8	8.5	0	0	112.3	E37 G45	E37-Q41 WeakPolarHBondContact O-CG 3.35Å; E37-Q41 PolarHBondContact O-N 3.3Å; E37-Q41 VanDerWaalsContact O-N 3.14Å; Q41-G45 PolarHBondContact O-N 3.4Å
42	K	77.4	Confident	69.7	Low	143 Å²	143	85 Å²	85	62%	0.622	42%	0.415	S	S	*	.	H	α-helix	trans	-64.8	-49.3	173.5	-174.5	-178	176.2	-169.8	0	111.6	N38 L40 V44 G45 D46	N38-K42 VanDerWaalsContact O-CB 3.22Å; N38-K42 WeakPolarHBondContact O-CB 3.47Å; N38-K42 PolarHBondContact O-N 3.41Å; L40-K42 VanDerWaalsContact C-N 3.27Å; L40-K42 PolarHBondContact O-N 2.82Å; K42-V44 PolarHBondContact O-N 3.21Å; K42-G45 PolarHBondContact O-N 3.32Å; K42-G45 VanDerWaalsContact O-N 3.15Å; K42-D46 WeakPolarHBondContact O-CB 3.26Å; K42-D46 PolarHBondContact O-N 3.17Å
43	L	81.8	Confident	71.8	Confident	20 Å²	20	81 Å²	81	11%	0.105	40%	0.399	C	S	.	.	H	α-helix	trans	-58.1	-47.1	177.2	178.7	63.5	0	0	0	111.8	I11 L15 L24 V26 S39 L40 G45 D46 L47	I11-L43 HydrophobicContact CG2-CD2 4.3Å; L15-L43 HydrophobicContact CD2-CD2 4.4Å; L24-L43 HydrophobicContact CB-CD1 4.47Å; V26-L43 HydrophobicContact CG2-CD1 4.08Å; V26-L43 HydrophobicContact CG2-CD2 3.89Å; S39-L43 PolarHBondContact O-N 3.33Å; L40-L43 PolarHBondContact O-N 3.2Å; L43-G45 VanDerWaalsContact C-N 3.34Å; L43-G45 PolarHBondContact O-N 3.41Å; L43-D46 PolarHBondContact O-N 3.26Å; L43-L47 HydrophobicContact CD1-CD1 4.15Å; L43-L47 HydrophobicContact CD1-CG 4.41Å; L43-L47 HydrophobicContact CG-CD1 4.09Å; L43-L47 WeakPolarHBondContact O-CB 3.31Å; L43-L47 PolarHBondContact O-N 2.72Å
44	V	83.7	Confident	74	Confident	7 Å²	7	77 Å²	77	4%	0.042	38%	0.378	C	S	.	.	H	α-helix	trans	-58.9	-45.7	174.9	168.7	0	0	0	0	110.7	L15 L40 K42 D46 K48 I102 A106	L15-V44 HydrophobicContact CD1-CG2 4.13Å; L15-V44 HydrophobicContact CD2-CG2 4.04Å; L40-V44 WeakPolarHBondContact O-CB 3.46Å; L40-V44 VanDerWaalsContact O-CG2 3.32Å; L40-V44 WeakPolarHBondContact O-CG2 3.43Å; L40-V44 PolarHBondContact O-N 3.29Å; K42-V44 PolarHBondContact O-N 3.21Å; V44-D46 PolarHBondContact O-N 2.87Å; V44-K48 HydrophobicContact CG1-CD 4.42Å; V44-K48 WeakPolarHBondContact O-CB 2.99Å; V44-K48 VanDerWaalsContact O-CG 3.3Å; V44-K48 WeakPolarHBondContact O-CG 3.22Å; V44-K48 PolarHBondContact O-N 3.26Å; V44-I102 HydrophobicContact CB-CG2 4.34Å; V44-I102 HydrophobicContact CG1-CG2 3.78Å; V44-I102 WeakPolarHBondContact O-CG2 3.49Å; V44-A106 HydrophobicContact CG1-CB 3.72Å
45	G	79.7	Confident	76.2	Confident	24 Å²	24	69.9 Å²	69.9	25%	0.247	35%	0.348	C	S	.	.	H	α-helix	trans	-62.1	-40.6	177.9	0	0	0	0	0	113.7	Q41 K42 L43 K49	Q41-G45 PolarHBondContact O-N 3.4Å; K42-G45 PolarHBondContact O-N 3.32Å; K42-G45 VanDerWaalsContact O-N 3.15Å; L43-G45 VanDerWaalsContact C-N 3.34Å; L43-G45 PolarHBondContact O-N 3.41Å; G45-K49 WeakPolarHBondContact O-CD 3.41Å; G45-K49 WeakPolarHBondContact O-CG 3.39Å; G45-K49 PolarHBondContact O-N 3.28Å
46	D	83.8	Confident	78.1	Confident	57 Å²	57	63.9 Å²	63.9	31%	0.305	33%	0.329	S	S	.	.	H	α-helix	trans	-72.3	-43.4	-180	-70.5	-20.4	0	0	0	111.3	L24 K42 L43 V44 K49 L50	L24-D46 HydrophobicContact CD1-CB 4.34Å; K42-D46 WeakPolarHBondContact O-CB 3.26Å; K42-D46 PolarHBondContact O-N 3.17Å; L43-D46 PolarHBondContact O-N 3.26Å; V44-D46 PolarHBondContact O-N 2.87Å; D46-K49 PolarHBondContact O-N 3.32Å; D46-L50 WeakPolarHBondContact O-CB 3.29Å; D46-L50 PolarHBondContact O-N 3.47Å
47	L	87.3	Confident	79.8	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-60	-46.3	172.5	-83	170.3	0	0	0	112.2	L15 Y22 L24 L43 K49 L50 I51 I102	L15-L47 HydrophobicContact CD2-CD1 3.56Å; Y22-L47 HydrophobicContact CD2-CD2 4.12Å; Y22-L47 HydrophobicContact CG-CD2 4.48Å; L24-L47 HydrophobicContact CD1-CD2 3.72Å; L24-L47 HydrophobicContact CD1-CG 3.74Å; L43-L47 HydrophobicContact CD1-CD1 4.15Å; L43-L47 HydrophobicContact CD1-CG 4.41Å; L43-L47 HydrophobicContact CG-CD1 4.09Å; L43-L47 WeakPolarHBondContact O-CB 3.31Å; L43-L47 PolarHBondContact O-N 2.72Å; L47-K49 VanDerWaalsContact C-N 3.31Å; L47-K49 PolarHBondContact O-N 2.95Å; L47-L50 PolarHBondContact O-N 2.76Å; L47-I51 WeakPolarHBondContact O-CG1 3.29Å; L47-I51 PolarHBondContact O-N 2.9Å; L47-I102 HydrophobicContact CB-CD1 3.63Å; L47-I102 HydrophobicContact CB-CG1 4.08Å; L47-I102 HydrophobicContact CB-CG2 4.1Å; L47-I102 HydrophobicContact CD1-CD1 4.4Å; L47-I102 HydrophobicContact CD1-CG1 4.25Å; L47-I102 HydrophobicContact CD2-CD1 4.39Å; L47-I102 HydrophobicContact CG-CD1 4.38Å
48	K	85.5	Confident	81.4	Confident	39 Å²	39	60.2 Å²	60.2	17%	0.17	30%	0.304	C	S	.	.	H	α-helix	trans	-57.2	-43.7	176.2	-77.4	-173.7	-178.4	-165.8	0	112.4	V44 R52 L99 I102 E103	V44-K48 HydrophobicContact CG1-CD 4.42Å; V44-K48 WeakPolarHBondContact O-CB 2.99Å; V44-K48 VanDerWaalsContact O-CG 3.3Å; V44-K48 WeakPolarHBondContact O-CG 3.22Å; V44-K48 PolarHBondContact O-N 3.26Å; K48-R52 VanDerWaalsContact O-CB 3.32Å; K48-R52 WeakPolarHBondContact O-CB 3.4Å; K48-R52 VanDerWaalsContact O-CG 3.23Å; K48-R52 WeakPolarHBondContact O-CG 3.36Å; K48-R52 PolarHBondContact O-N 3.21Å; K48-L99 HydrophobicContact CB-CD1 4.29Å; K48-L99 HydrophobicContact CG-CD1 4.12Å; K48-I102 HydrophobicContact CD-CG2 4.42Å; K48-I102 HydrophobicContact CG-CB 4.38Å; K48-I102 HydrophobicContact CG-CG2 3.53Å; K48-E103 HydrophobicContact CD-CG 4.3Å
49	K	83.3	Confident	82.5	Confident	110 Å²	110	59.1 Å²	59.1	48%	0.478	30%	0.296	S	S	.	.	H	α-helix	trans	-64.2	-44.8	179.2	-77.5	164.6	-178.1	-99.2	0	111.1	G45 D46 L47 S53	G45-K49 WeakPolarHBondContact O-CD 3.41Å; G45-K49 WeakPolarHBondContact O-CG 3.39Å; G45-K49 PolarHBondContact O-N 3.28Å; D46-K49 PolarHBondContact O-N 3.32Å; L47-K49 VanDerWaalsContact C-N 3.31Å; L47-K49 PolarHBondContact O-N 2.95Å; K49-S53 WeakPolarHBondContact O-CB 3.43Å; K49-S53 PolarHBondContact O-N 3.38Å; K49-S53 VanDerWaalsContact O-N 3.09Å
50	L	88.8	Confident	83.5	Confident	60 Å²	60	63.3 Å²	63.3	31%	0.314	30%	0.304	S	S	.	.	H	α-helix	trans	-64.1	-49.9	-179.1	-174.8	58.5	0	0	0	111.5	Y22 L24 D46 L47 S53 L54	Y22-L50 HydrophobicContact CD1-CD2 4.49Å; Y22-L50 HydrophobicContact CG-CD2 4.37Å; Y22-L50 WeakPolarHBondContact O-CD2 3.44Å; L24-L50 HydrophobicContact CD1-CD2 4.36Å; D46-L50 WeakPolarHBondContact O-CB 3.29Å; D46-L50 PolarHBondContact O-N 3.47Å; L47-L50 PolarHBondContact O-N 2.76Å; L50-S53 WeakPolarHBondContact O-CB 3.41Å; L50-S53 PolarHBondContact O-N 2.84Å; L50-L54 WeakPolarHBondContact O-CG 3.41Å; L50-L54 PolarHBondContact O-N 3.43Å
51	I	87.9	Confident	84.5	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-67.2	-41	-178.8	-59.7	-169.2	0	0	0	112	Y22 L47 S53 L54 I55 L95 D98 L99 I102	Y22-I51 HydrophobicContact CD1-CG1 4.45Å; Y22-I51 HydrophobicContact CD2-CD1 3.84Å; Y22-I51 HydrophobicContact CD2-CG1 4.09Å; Y22-I51 HydrophobicContact CE1-CD1 4.44Å; Y22-I51 HydrophobicContact CE1-CG1 4.14Å; Y22-I51 HydrophobicContact CE2-CD1 3.27Å; Y22-I51 HydrophobicContact CE2-CG1 3.78Å; Y22-I51 HydrophobicContact CG-CG1 4.44Å; L47-I51 WeakPolarHBondContact O-CG1 3.29Å; L47-I51 PolarHBondContact O-N 2.9Å; I51-S53 PolarHBondContact O-N 3.31Å; I51-L54 WeakPolarHBondContact O-CB 3.32Å; I51-L54 PolarHBondContact O-N 2.93Å; I51-I55 HydrophobicContact CG2-CD1 4.04Å; I51-I55 HydrophobicContact CG2-CG1 4.31Å; I51-I55 WeakPolarHBondContact O-CG1 3.25Å; I51-I55 PolarHBondContact O-N 3.28Å; I51-L95 HydrophobicContact CG2-CB 4.22Å; I51-L95 HydrophobicContact CG2-CD2 4.16Å; I51-L95 WeakPolarHBondContact CG2-O 3.29Å; I51-D98 HydrophobicContact CD1-CB 3.5Å; I51-L99 HydrophobicContact CB-CB 4.47Å; I51-L99 HydrophobicContact CB-CD1 4.45Å; I51-L99 HydrophobicContact CG2-CB 3.77Å; I51-I102 HydrophobicContact CD1-CD1 3.24Å; I51-I102 HydrophobicContact CG1-CD1 4.15Å
52	R	83.3	Confident	85.4	Confident	134 Å²	134	60.3 Å²	60.3	51%	0.506	29%	0.289	S	S	.	.	H	α-helix	trans	-59.9	-36.6	173.9	-73.7	176.4	-178.9	-177.2	-0.7	112.3	K48 A56 L99 E103	K48-R52 VanDerWaalsContact O-CB 3.32Å; K48-R52 WeakPolarHBondContact O-CB 3.4Å; K48-R52 VanDerWaalsContact O-CG 3.23Å; K48-R52 WeakPolarHBondContact O-CG 3.36Å; K48-R52 PolarHBondContact O-N 3.21Å; R52-A56 PolarHBondContact O-N 3.49Å; R52-A56 VanDerWaalsContact O-N 3.1Å; R52-L99 HydrophobicContact CG-CD1 3.94Å; R52-L99 HydrophobicContact CG-CD2 3.67Å; R52-L99 HydrophobicContact CG-CG 4.5Å; R52-E103 IonicContact CZ-OE1 3.97Å; R52-E103 IonicContact NE-OE1 2.74Å; R52-E103 IonicContact NH2-OE1 2.96Å; R52-E103 PolarHBondContact NH2-OE1 3.02Å
53	S	85.1	Confident	85.7	Confident	62 Å²	62	56.3 Å²	56.3	43%	0.434	27%	0.273	S	S	.	.	H	α-helix	trans	-65.9	-39.4	173.7	-179.1	0	0	0	0	112.1	K49 L50 I51 R57	K49-S53 WeakPolarHBondContact O-CB 3.43Å; K49-S53 PolarHBondContact O-N 3.38Å; K49-S53 VanDerWaalsContact O-N 3.09Å; L50-S53 WeakPolarHBondContact O-CB 3.41Å; L50-S53 PolarHBondContact O-N 2.84Å; I51-S53 PolarHBondContact O-N 3.31Å; S53-R57 WeakPolarHBondContact O-CB 3.37Å; S53-R57 PolarHBondContact O-N 3.29Å
54	L	89.8	Confident	85.8	Confident	29 Å²	29	57.2 Å²	57.2	15%	0.152	29%	0.286	C	S	.	.	H	α-helix	trans	-66.7	-42.3	175.4	-67.1	175.2	0	0	0	112.4	Y22 L50 I51 A56 R57 E58 L95	Y22-L54 HydrophobicContact CD1-CD1 3.61Å; Y22-L54 HydrophobicContact CE1-CD1 3.33Å; L50-L54 WeakPolarHBondContact O-CG 3.41Å; L50-L54 PolarHBondContact O-N 3.43Å; I51-L54 WeakPolarHBondContact O-CB 3.32Å; I51-L54 PolarHBondContact O-N 2.93Å; L54-A56 PolarHBondContact O-N 3.2Å; L54-R57 WeakPolarHBondContact O-CB 3.35Å; L54-R57 PolarHBondContact O-N 2.86Å; L54-E58 PolarHBondContact O-N 3.42Å; L54-L95 HydrophobicContact CB-CD1 3.87Å; L54-L95 HydrophobicContact CB-CD2 3.62Å; L54-L95 HydrophobicContact CB-CG 4.42Å; L54-L95 HydrophobicContact CD1-CD2 3.81Å; L54-L95 HydrophobicContact CG-CD2 4.37Å
55	I	86.6	Confident	86.1	Confident	17 Å²	17	60.1 Å²	60.1	9%	0.087	30%	0.297	C	S	.	.	H	α-helix	trans	-59.6	-48.9	175.9	-67.6	168.7	0	0	0	110.1	I51 R57 E58 M59 L95 L99	I51-I55 HydrophobicContact CG2-CD1 4.04Å; I51-I55 HydrophobicContact CG2-CG1 4.31Å; I51-I55 WeakPolarHBondContact O-CG1 3.25Å; I51-I55 PolarHBondContact O-N 3.28Å; I55-R57 VanDerWaalsContact C-N 3.27Å; I55-R57 PolarHBondContact O-N 2.94Å; I55-E58 PolarHBondContact O-N 3.27Å; I55-M59 HydrophobicContact CG2-CG 4.34Å; I55-M59 WeakPolarHBondContact O-CB 3.35Å; I55-M59 VanDerWaalsContact O-CG 3.31Å; I55-M59 WeakPolarHBondContact O-CG 3.45Å; I55-M59 PolarHBondContact O-N 2.92Å; I55-L95 HydrophobicContact CD1-CB 4.2Å; I55-L95 HydrophobicContact CG1-CB 3.49Å; I55-L95 VanDerWaalsContact CG1-CB 3.49Å; I55-L95 HydrophobicContact CG1-CD1 4.21Å; I55-L95 HydrophobicContact CG1-CG 4.42Å; I55-L99 HydrophobicContact CD1-CB 4.31Å; I55-L99 HydrophobicContact CD1-CD2 3.83Å
56	A	81.7	Confident	86.2	Confident	51 Å²	51	60.9 Å²	60.9	42%	0.421	30%	0.296	S	S	.	.	H	α-helix	trans	-59	-40	177.7	0	0	0	0	0	111.9	R52 L54 R60	R52-A56 PolarHBondContact O-N 3.49Å; R52-A56 VanDerWaalsContact O-N 3.1Å; L54-A56 PolarHBondContact O-N 3.2Å; A56-R60 WeakPolarHBondContact O-CG 3.19Å; A56-R60 PolarHBondContact O-N 3.35Å; A56-R60 VanDerWaalsContact O-N 3.11Å
57	R	89.1	Confident	86.3	Confident	128 Å²	128	61.4 Å²	61.4	48%	0.483	30%	0.298	S	S	.	.	H	α-helix	trans	-64.1	-50.4	176.6	-172.5	-172.8	-55.8	150.9	7.5	112.3	S53 L54 I55 M59 R60 I61	S53-R57 WeakPolarHBondContact O-CB 3.37Å; S53-R57 PolarHBondContact O-N 3.29Å; L54-R57 WeakPolarHBondContact O-CB 3.35Å; L54-R57 PolarHBondContact O-N 2.86Å; I55-R57 VanDerWaalsContact C-N 3.27Å; I55-R57 PolarHBondContact O-N 2.94Å; R57-M59 VanDerWaalsContact C-N 3.31Å; R57-M59 PolarHBondContact O-N 2.93Å; R57-R60 PolarHBondContact O-N 3.29Å; R57-I61 HydrophobicContact CG-CD1 4.42Å; R57-I61 WeakPolarHBondContact O-CG1 3.41Å; R57-I61 PolarHBondContact O-N 3.08Å; R57-I61 VanDerWaalsContact O-N 3.12Å
58	E	90	Very high	86.2	Confident	29 Å²	29	65.9 Å²	65.9	14%	0.136	32%	0.321	C	S	.	.	H	α-helix	trans	-66.6	-33.9	-179.4	-66.8	-66.1	151.1	0	0	111.7	L54 I55 I61 K62 I88 I92 L95	L54-E58 PolarHBondContact O-N 3.42Å; I55-E58 PolarHBondContact O-N 3.27Å; E58-I61 PolarHBondContact O-N 3.34Å; E58-K62 PolarHBondContact O-N 3.44Å; E58-I88 HydrophobicContact CB-CG2 4.5Å; E58-I88 WeakPolarHBondContact O-CG2 3.48Å; E58-I92 HydrophobicContact CB-CD1 4.13Å; E58-I92 HydrophobicContact CB-CG1 3.54Å; E58-L95 HydrophobicContact CB-CD1 4.35Å; E58-L95 HydrophobicContact CG-CD1 3.75Å
59	M	83.9	Confident	86.2	Confident	84 Å²	84	70 Å²	70	41%	0.414	34%	0.335	S	S	.	.	H	α-helix	trans	-62	-44.9	172.5	-77.4	-68.7	-66.3	0	0	112.4	I55 R57 I61 K62 E63 I92	I55-M59 HydrophobicContact CG2-CG 4.34Å; I55-M59 WeakPolarHBondContact O-CB 3.35Å; I55-M59 VanDerWaalsContact O-CG 3.31Å; I55-M59 WeakPolarHBondContact O-CG 3.45Å; I55-M59 PolarHBondContact O-N 2.92Å; R57-M59 VanDerWaalsContact C-N 3.31Å; R57-M59 PolarHBondContact O-N 2.93Å; M59-I61 VanDerWaalsContact C-N 3.31Å; M59-I61 PolarHBondContact O-N 2.8Å; M59-K62 WeakPolarHBondContact O-CB 3.47Å; M59-K62 PolarHBondContact O-N 3.21Å; M59-K62 HydrophobicContact SD-CD 4.44Å; M59-E63 PolarHBondContact O-N 3.37Å; M59-I92 HydrophobicContact CG-CD1 4.14Å; M59-I92 HydrophobicContact SD-CD1 3.74Å; M59-I92 HydrophobicContact SD-CG2 4.28Å
60	R	85.5	Confident	86.2	Confident	140 Å²	140	73.8 Å²	73.8	53%	0.528	35%	0.346	S	S	.	.	H	α-helix	trans	-59.1	-41	173.4	-73.5	-179.8	-177.7	174	0.8	111.7	A56 R57 E63 G64 E913	A56-R60 WeakPolarHBondContact O-CG 3.19Å; A56-R60 PolarHBondContact O-N 3.35Å; A56-R60 VanDerWaalsContact O-N 3.11Å; R57-R60 PolarHBondContact O-N 3.29Å; R60-E63 PolarHBondContact O-N 3.4Å; R60-G64 PolarHBondContact O-N 2.88Å; R60-G64 VanDerWaalsContact O-N 3.13Å; R60-E913 IonicContact CZ-OE2 2.63Å; R60-E913 IonicContact NH1-OE2 2.81Å; R60-E913 PolarHBondContact NH1-OE2 3.05Å; R60-E913 VanDerWaalsContact NH1-OE2 3.1Å; R60-E913 IonicContact NH2-OE2 3.75Å; R60-E913 PolarHBondContact NH2-OE2 3.03Å
61	I	88.4	Confident	85.7	Confident	68 Å²	68	74.6 Å²	74.6	35%	0.349	36%	0.361	S	S	.	.	H	α-helix	trans	-64.6	-45	176.4	-62.3	169.5	0	0	0	110.4	R57 E58 M59 E63 G64 Y65 I88	R57-I61 HydrophobicContact CG-CD1 4.42Å; R57-I61 WeakPolarHBondContact O-CG1 3.41Å; R57-I61 PolarHBondContact O-N 3.08Å; R57-I61 VanDerWaalsContact O-N 3.12Å; E58-I61 PolarHBondContact O-N 3.34Å; M59-I61 VanDerWaalsContact C-N 3.31Å; M59-I61 PolarHBondContact O-N 2.8Å; I61-E63 VanDerWaalsContact C-N 3.3Å; I61-E63 PolarHBondContact O-N 3.18Å; I61-G64 PolarHBondContact O-N 3.16Å; I61-Y65 HydrophobicContact CG2-CD2 3.78Å; I61-Y65 HydrophobicContact CG2-CE2 3.8Å; I61-Y65 WeakPolarHBondContact O-CD2 3.44Å; I61-Y65 PolarHBondContact O-N 2.97Å; I61-I88 HydrophobicContact CG2-CD1 3.68Å; I61-I88 HydrophobicContact CG2-CG1 4.27Å
62	K	90.5	Very high	85.4	Confident	64 Å²	64	75.9 Å²	75.9	28%	0.278	37%	0.369	S	S	.	.	H	α-helix	trans	-56.3	-44.8	177.6	-172.1	-178.2	174.5	-172.5	0	111.5	E58 M59 Y65 D66 L85 I88 I92	E58-K62 PolarHBondContact O-N 3.44Å; M59-K62 WeakPolarHBondContact O-CB 3.47Å; M59-K62 PolarHBondContact O-N 3.21Å; M59-K62 HydrophobicContact SD-CD 4.44Å; K62-Y65 PolarHBondContact O-N 3.29Å; K62-D66 PolarHBondContact O-N 3.47Å; K62-L85 HydrophobicContact CG-CD2 3.97Å; K62-L85 WeakPolarHBondContact O-CD2 3.39Å; K62-I88 HydrophobicContact CB-CG2 3.76Å; K62-I88 HydrophobicContact CG-CG2 4.4Å; K62-I92 HydrophobicContact CB-CD1 4.19Å; K62-I92 HydrophobicContact CD-CD1 3.82Å
63	E	84.3	Confident	85.2	Confident	60 Å²	60	79.5 Å²	79.5	28%	0.28	39%	0.389	S	S	.	.	H	α-helix	trans	-62.3	-44.6	177.9	-158	-155.9	155.1	0	0	112.1	M59 R60 I61 Y65 D66 N67	M59-E63 PolarHBondContact O-N 3.37Å; R60-E63 PolarHBondContact O-N 3.4Å; I61-E63 VanDerWaalsContact C-N 3.3Å; I61-E63 PolarHBondContact O-N 3.18Å; E63-Y65 VanDerWaalsContact C-N 3.3Å; E63-Y65 PolarHBondContact O-N 2.82Å; E63-D66 PolarHBondContact O-N 2.96Å; E63-D66 VanDerWaalsContact O-N 3.15Å; E63-N67 PolarHBondContact O-N 2.91Å; E63-N67 PolarHBondContact O-ND2 3.26Å
64	G	84	Confident	85.2	Confident	38 Å²	38	81.4 Å²	81.4	39%	0.392	39%	0.391	S	S	.	.	H	α-helix	trans	-57.6	-40.7	173.9	0	0	0	0	0	113	R60 I61 N67 M68	R60-G64 PolarHBondContact O-N 2.88Å; R60-G64 VanDerWaalsContact O-N 3.13Å; I61-G64 PolarHBondContact O-N 3.16Å; G64-N67 PolarHBondContact O-N 3.23Å; G64-M68 PolarHBondContact O-N 3.25Å
65	Y	88.9	Confident	84.7	Confident	68 Å²	68	88.2 Å²	88.2	27%	0.267	42%	0.419	S	S	.	.	H	α-helix	trans	-70.8	-35.6	175.1	-89.7	-91.3	0	0	0	113.3	I61 K62 E63 N67 M68 R69 V81 D84 I88	I61-Y65 HydrophobicContact CG2-CD2 3.78Å; I61-Y65 HydrophobicContact CG2-CE2 3.8Å; I61-Y65 WeakPolarHBondContact O-CD2 3.44Å; I61-Y65 PolarHBondContact O-N 2.97Å; K62-Y65 PolarHBondContact O-N 3.29Å; E63-Y65 VanDerWaalsContact C-N 3.3Å; E63-Y65 PolarHBondContact O-N 2.82Å; Y65-N67 VanDerWaalsContact C-N 3.35Å; Y65-M68 PolarHBondContact O-N 3.36Å; Y65-R69 WeakPolarHBondContact O-CB 3.46Å; Y65-R69 PolarHBondContact O-N 3.33Å; Y65-V81 HydrophobicContact CD1-CG1 4.2Å; Y65-V81 WeakPolarHBondContact O-CG1 3.31Å; Y65-D84 HydrophobicContact CD1-CB 3.77Å; Y65-D84 HydrophobicContact CE1-CB 3.29Å; Y65-D84 VanDerWaalsContact CE1-OD2 3.32Å; Y65-D84 WeakPolarHBondContact CE1-OD2 3.19Å; Y65-I88 HydrophobicContact CD2-CD1 3.44Å; Y65-I88 VanDerWaalsContact CD2-CD1 3.44Å; Y65-I88 HydrophobicContact CE2-CD1 3.71Å; Y65-I88 HydrophobicContact CG-CD1 3.91Å
66	D	83.6	Confident	84.6	Confident	40 Å²	40	95.8 Å²	95.8	21%	0.214	45%	0.452	C	S	.	.	H	α-helix	trans	-68	-35.3	174	-100.5	-33.2	0	0	0	111.6	K62 E63 R69 R70 L85	K62-D66 PolarHBondContact O-N 3.47Å; E63-D66 PolarHBondContact O-N 2.96Å; E63-D66 VanDerWaalsContact O-N 3.15Å; D66-R69 WeakPolarHBondContact O-CB 3.42Å; D66-R69 PolarHBondContact O-N 2.84Å; D66-R69 IonicContact OD1-NH1 2.78Å; D66-R69 PolarHBondContact OD1-NH1 3.47Å; D66-R69 VanDerWaalsContact OD1-NH1 3.12Å; D66-R70 WeakPolarHBondContact O-CG 3.07Å; D66-R70 PolarHBondContact O-N 2.83Å; D66-L85 WeakPolarHBondContact OD1-CD1 3.34Å
67	N	84	Confident	84.5	Confident	68 Å²	68	98.1 Å²	98.1	36%	0.364	45%	0.454	S	S	.	.	H	α-helix	trans	-65.8	-42.4	170.8	-75.2	-29.9	0	0	0	111.7	E63 G64 Y65 R69 R70 A71	E63-N67 PolarHBondContact O-N 2.91Å; E63-N67 PolarHBondContact O-ND2 3.26Å; G64-N67 PolarHBondContact O-N 3.23Å; Y65-N67 VanDerWaalsContact C-N 3.35Å; N67-R69 VanDerWaalsContact C-N 3.33Å; N67-R69 PolarHBondContact O-N 3.15Å; N67-R70 PolarHBondContact O-N 3.11Å; N67-R70 VanDerWaalsContact O-N 3.15Å; N67-R70 PolarHBondContact OD1-NH1 2.74Å; N67-A71 PolarHBondContact O-N 3.38Å; N67-A71 VanDerWaalsContact O-N 3.13Å
68	M	85.6	Confident	84.2	Confident	95 Å²	95	93.4 Å²	93.4	47%	0.468	44%	0.439	S	S	.	.	H	α-helix	trans	-61.5	-40.4	173.5	-167.5	179.4	-61.6	0	0	111.9	G64 Y65 R70 A71 V72 V81	G64-M68 PolarHBondContact O-N 3.25Å; Y65-M68 PolarHBondContact O-N 3.36Å; M68-R70 VanDerWaalsContact C-N 3.25Å; M68-R70 PolarHBondContact O-N 2.88Å; M68-A71 PolarHBondContact O-N 2.91Å; M68-A71 VanDerWaalsContact O-N 3.12Å; M68-V72 HydrophobicContact CG-CG2 3.85Å; M68-V72 WeakPolarHBondContact O-CB 3.45Å; M68-V72 WeakPolarHBondContact O-CG2 3.4Å; M68-V72 PolarHBondContact O-N 2.87Å; M68-V81 HydrophobicContact CG-CG2 4.16Å; M68-V81 HydrophobicContact SD-CG2 3.92Å
69	R	85.4	Confident	84	Confident	125 Å²	125	96.2 Å²	96.2	47%	0.472	45%	0.452	S	S	.	.	H	α-helix	trans	-59.1	-34.6	175.1	-178.5	-176.6	147.1	-154.2	-1	112.4	Y65 D66 N67 V81 L85	Y65-R69 WeakPolarHBondContact O-CB 3.46Å; Y65-R69 PolarHBondContact O-N 3.33Å; D66-R69 WeakPolarHBondContact O-CB 3.42Å; D66-R69 PolarHBondContact O-N 2.84Å; D66-R69 IonicContact OD1-NH1 2.78Å; D66-R69 PolarHBondContact OD1-NH1 3.47Å; D66-R69 VanDerWaalsContact OD1-NH1 3.12Å; N67-R69 VanDerWaalsContact C-N 3.33Å; N67-R69 PolarHBondContact O-N 3.15Å; R69-V81 HydrophobicContact CB-CG1 3.7Å; R69-V81 HydrophobicContact CG-CG1 4.46Å; R69-L85 HydrophobicContact CB-CD1 4.36Å
70	R	83.1	Confident	84.3	Confident	190 Å²	190	99 Å²	99	72%	0.717	46%	0.462	S	S	*	.	H	α-helix	trans	-75.5	-31.5	176.3	-64.4	170.5	-159.9	165	0	112.5	D66 N67 M68	D66-R70 WeakPolarHBondContact O-CG 3.07Å; D66-R70 PolarHBondContact O-N 2.83Å; N67-R70 PolarHBondContact O-N 3.11Å; N67-R70 VanDerWaalsContact O-N 3.15Å; N67-R70 PolarHBondContact OD1-NH1 2.74Å; M68-R70 VanDerWaalsContact C-N 3.25Å; M68-R70 PolarHBondContact O-N 2.88Å
71	A	79.4	Confident	84.4	Confident	76 Å²	76	92.7 Å²	92.7	63%	0.628	44%	0.439	S	S	*	.	H	α-helix	trans	-84.5	-31.4	-177.1	0	0	0	0	0	114.1	N67 M68	N67-A71 PolarHBondContact O-N 3.38Å; N67-A71 VanDerWaalsContact O-N 3.13Å; M68-A71 PolarHBondContact O-N 2.91Å; M68-A71 VanDerWaalsContact O-N 3.12Å
72	V	80.6	Confident	84.4	Confident	28 Å²	28	92.9 Å²	92.9	17%	0.17	44%	0.437	C	S	.	.			trans	-77.1	125.5	-174.7	172.7	0	0	0	0	111.8	M68 Q77 V78	M68-V72 HydrophobicContact CG-CG2 3.85Å; M68-V72 WeakPolarHBondContact O-CB 3.45Å; M68-V72 WeakPolarHBondContact O-CG2 3.4Å; M68-V72 PolarHBondContact O-N 2.87Å; V72-Q77 HydrophobicContact CG1-CB 3.42Å; V72-Q77 VanDerWaalsContact CG1-CB 3.42Å; V72-Q77 HydrophobicContact CG1-CG 4.5Å; V72-V78 HydrophobicContact CB-CG2 4.34Å; V72-V78 HydrophobicContact CG1-CG2 3.83Å
73	K	79.6	Confident	84.4	Confident	209 Å²	209	96.5 Å²	96.5	91%	0.909	45%	0.453	S	S	*	.			trans	-96.3	-20.2	177.8	-62.4	-178.5	-178.1	177.1	0	114
74	E	84.8	Confident	84.8	Confident	102 Å²	102	95.7 Å²	95.7	48%	0.477	45%	0.451	S	S	.	.			trans	-85.1	123.6	-174.3	-164.1	-170.9	172.2	0	0	112.1	K76 Q77 V78	E74-K76 VanDerWaalsContact C-N 3.33Å; E74-K76 PolarHBondContact O-N 2.73Å; E74-Q77 HydrophobicContact CB-CB 4.42Å; E74-Q77 HydrophobicContact CB-CG 4.26Å; E74-Q77 PolarHBondContact O-N 3.25Å; E74-Q77 VanDerWaalsContact O-N 3.09Å; E74-Q77 PolarHBondContact OE2-NE2 2.82Å; E74-V78 WeakPolarHBondContact O-CG2 3.15Å; E74-V78 PolarHBondContact O-N 3.26Å
75	K	80.1	Confident	85	Confident	173 Å²	173	94.6 Å²	94.6	75%	0.752	44%	0.436	S	S	*	.	H	α-helix	trans	-56	-38.4	-173.2	-170	178	179.3	-179.4	0	114.5	V78 E79	K75-V78 PolarHBondContact O-N 2.9Å; K75-E79 PolarHBondContact O-N 3.38Å
76	K	84	Confident	85.1	Confident	176 Å²	176	97.7 Å²	97.7	77%	0.765	45%	0.447	S	S	*	.	H	α-helix	trans	-65.8	-40.8	178.4	-77.4	-175.4	177.6	178.7	0	112.2	E74 E79 K80	E74-K76 VanDerWaalsContact C-N 3.33Å; E74-K76 PolarHBondContact O-N 2.73Å; K76-E79 PolarHBondContact O-N 2.91Å; K76-K80 PolarHBondContact O-N 3.12Å
77	Q	79.9	Confident	85.5	Confident	99 Å²	99	98.4 Å²	98.4	46%	0.463	46%	0.455	S	S	.	.	H	α-helix	trans	-70.6	-38.1	178.3	-63.9	-174.6	17.5	0	0	111.1	V72 E74 E79 K80 V81	V72-Q77 HydrophobicContact CG1-CB 3.42Å; V72-Q77 VanDerWaalsContact CG1-CB 3.42Å; V72-Q77 HydrophobicContact CG1-CG 4.5Å; E74-Q77 HydrophobicContact CB-CB 4.42Å; E74-Q77 HydrophobicContact CB-CG 4.26Å; E74-Q77 PolarHBondContact O-N 3.25Å; E74-Q77 VanDerWaalsContact O-N 3.09Å; E74-Q77 PolarHBondContact OE2-NE2 2.82Å; Q77-E79 VanDerWaalsContact C-N 3.35Å; Q77-E79 PolarHBondContact O-N 3.12Å; Q77-K80 PolarHBondContact O-N 3.46Å; Q77-V81 VanDerWaalsContact O-CG2 3.31Å; Q77-V81 WeakPolarHBondContact O-CG2 3.39Å; Q77-V81 PolarHBondContact O-N 3.03Å
78	V	82.1	Confident	85.8	Confident	29 Å²	29	95.7 Å²	95.7	18%	0.176	44%	0.44	C	S	.	.	H	α-helix	trans	-58.6	-42.9	174	174.7	0	0	0	0	112.1	V72 E74 K75 V81 K82	V72-V78 HydrophobicContact CB-CG2 4.34Å; V72-V78 HydrophobicContact CG1-CG2 3.83Å; E74-V78 WeakPolarHBondContact O-CG2 3.15Å; E74-V78 PolarHBondContact O-N 3.26Å; K75-V78 PolarHBondContact O-N 2.9Å; V78-V81 PolarHBondContact O-N 3.4Å; V78-K82 HydrophobicContact CG1-CD 4.44Å; V78-K82 WeakPolarHBondContact O-CG 3.08Å; V78-K82 PolarHBondContact O-N 3.02Å
79	E	86.9	Confident	85.9	Confident	89 Å²	89	92.7 Å²	92.7	42%	0.416	43%	0.429	S	S	.	.	H	α-helix	trans	-69.3	-33.9	178.1	-71.3	-55.6	134.2	0	0	112.9	K75 K76 Q77 K82 K83	K75-E79 PolarHBondContact O-N 3.38Å; K76-E79 PolarHBondContact O-N 2.91Å; Q77-E79 VanDerWaalsContact C-N 3.35Å; Q77-E79 PolarHBondContact O-N 3.12Å; E79-K82 IonicContact OE1-NZ 2.67Å; E79-K82 PolarHBondContact OE1-NZ 3.22Å; E79-K83 PolarHBondContact O-N 3.35Å; E79-K83 VanDerWaalsContact O-N 3.08Å
80	K	89	Confident	86.3	Confident	143 Å²	143	92.5 Å²	92.5	62%	0.622	43%	0.433	S	S	*	.	H	α-helix	trans	-63.1	-50.7	171.2	-172.4	-176.7	176.5	-170.9	0	110.9	K76 Q77 K82 K83 D84	K76-K80 PolarHBondContact O-N 3.12Å; Q77-K80 PolarHBondContact O-N 3.46Å; K80-K82 VanDerWaalsContact C-N 3.31Å; K80-K82 PolarHBondContact O-N 3.02Å; K80-K83 WeakPolarHBondContact O-CB 3.31Å; K80-K83 PolarHBondContact O-N 3.29Å; K80-D84 PolarHBondContact O-N 2.78Å
81	V	88.5	Confident	86.7	Confident	7 Å²	7	88.1 Å²	88.1	4%	0.042	42%	0.419	C	S	.	.	H	α-helix	trans	-58.3	-40.7	177.7	170.9	0	0	0	0	111.6	Y65 M68 R69 Q77 V78 K83 D84 L85	Y65-V81 HydrophobicContact CD1-CG1 4.2Å; Y65-V81 WeakPolarHBondContact O-CG1 3.31Å; M68-V81 HydrophobicContact CG-CG2 4.16Å; M68-V81 HydrophobicContact SD-CG2 3.92Å; R69-V81 HydrophobicContact CB-CG1 3.7Å; R69-V81 HydrophobicContact CG-CG1 4.46Å; Q77-V81 VanDerWaalsContact O-CG2 3.31Å; Q77-V81 WeakPolarHBondContact O-CG2 3.39Å; Q77-V81 PolarHBondContact O-N 3.03Å; V78-V81 PolarHBondContact O-N 3.4Å; V81-K83 PolarHBondContact O-N 3.29Å; V81-D84 PolarHBondContact O-N 3.32Å; V81-L85 HydrophobicContact CG1-CD1 4.22Å; V81-L85 WeakPolarHBondContact O-CB 3.3Å; V81-L85 WeakPolarHBondContact O-CG 3.35Å; V81-L85 PolarHBondContact O-N 2.85Å
82	K	87.8	Confident	87.1	Confident	71 Å²	71	84.9 Å²	84.9	31%	0.309	39%	0.391	S	S	.	.	H	α-helix	trans	-64.1	-36.3	174	-76.2	177.8	-174.6	169.6	0	113.4	V78 E79 K80 R86	V78-K82 HydrophobicContact CG1-CD 4.44Å; V78-K82 WeakPolarHBondContact O-CG 3.08Å; V78-K82 PolarHBondContact O-N 3.02Å; E79-K82 IonicContact OE1-NZ 2.67Å; E79-K82 PolarHBondContact OE1-NZ 3.22Å; K80-K82 VanDerWaalsContact C-N 3.31Å; K80-K82 PolarHBondContact O-N 3.02Å; K82-R86 WeakPolarHBondContact O-CG 3.3Å; K82-R86 PolarHBondContact O-N 2.75Å
83	K	91.9	Very high	87.3	Confident	141 Å²	141	88 Å²	88	61%	0.613	41%	0.407	S	S	*	.	H	α-helix	trans	-66.6	-43.1	176.7	-173.3	-175.5	176	-174.7	0	110.4	E79 K80 V81 R86 S87	E79-K83 PolarHBondContact O-N 3.35Å; E79-K83 VanDerWaalsContact O-N 3.08Å; K80-K83 WeakPolarHBondContact O-CB 3.31Å; K80-K83 PolarHBondContact O-N 3.29Å; V81-K83 PolarHBondContact O-N 3.29Å; K83-R86 PolarHBondContact O-N 3.06Å; K83-S87 PolarHBondContact O-N 2.79Å; K83-S87 VanDerWaalsContact O-N 3.14Å
84	D	91	Very high	87.8	Confident	43 Å²	43	82.6 Å²	82.6	23%	0.23	39%	0.388	C	S	.	.	H	α-helix	trans	-66.4	-42.6	178.3	-61.6	-11.9	0	0	0	111	Y65 K80 V81 R86 S87 I88	Y65-D84 HydrophobicContact CD1-CB 3.77Å; Y65-D84 HydrophobicContact CE1-CB 3.29Å; Y65-D84 VanDerWaalsContact CE1-OD2 3.32Å; Y65-D84 WeakPolarHBondContact CE1-OD2 3.19Å; K80-D84 PolarHBondContact O-N 2.78Å; V81-D84 PolarHBondContact O-N 3.32Å; D84-R86 VanDerWaalsContact C-N 3.3Å; D84-R86 PolarHBondContact O-N 3.11Å; D84-S87 PolarHBondContact O-N 2.88Å; D84-S87 VanDerWaalsContact O-N 3.16Å; D84-I88 WeakPolarHBondContact O-CD1 3.27Å; D84-I88 WeakPolarHBondContact O-CG1 3.22Å; D84-I88 PolarHBondContact O-N 2.93Å
85	L	89.3	Confident	88.1	Confident	15 Å²	15	78.4 Å²	78.4	8%	0.079	37%	0.369	C	S	.	.	H	α-helix	trans	-57.4	-38.4	173.5	-83.7	169.5	0	0	0	113.6	K62 D66 R69 V81 S89	K62-L85 HydrophobicContact CG-CD2 3.97Å; K62-L85 WeakPolarHBondContact O-CD2 3.39Å; D66-L85 WeakPolarHBondContact OD1-CD1 3.34Å; R69-L85 HydrophobicContact CB-CD1 4.36Å; V81-L85 HydrophobicContact CG1-CD1 4.22Å; V81-L85 WeakPolarHBondContact O-CB 3.3Å; V81-L85 WeakPolarHBondContact O-CG 3.35Å; V81-L85 PolarHBondContact O-N 2.85Å; L85-S89 WeakPolarHBondContact O-CB 3.36Å; L85-S89 PolarHBondContact O-N 3.35Å; L85-S89 PolarHBondContact O-OG 2.94Å
86	R	90.4	Very high	88.4	Confident	133 Å²	133	74.6 Å²	74.6	50%	0.502	35%	0.353	S	S	.	.	H	α-helix	trans	-66	-46.6	175.2	-76.1	-173.6	-66.2	-94.7	1	111.2	K82 K83 D84 I88 S89 E90	K82-R86 WeakPolarHBondContact O-CG 3.3Å; K82-R86 PolarHBondContact O-N 2.75Å; K83-R86 PolarHBondContact O-N 3.06Å; D84-R86 VanDerWaalsContact C-N 3.3Å; D84-R86 PolarHBondContact O-N 3.11Å; R86-I88 VanDerWaalsContact C-N 3.33Å; R86-I88 PolarHBondContact O-N 3.34Å; R86-S89 PolarHBondContact O-N 3.3Å; R86-E90 WeakPolarHBondContact O-CG 3.46Å; R86-E90 PolarHBondContact O-N 3.23Å
87	S	92	Very high	88.5	Confident	55 Å²	55	69.5 Å²	69.5	39%	0.385	34%	0.34	S	S	.	.	H	α-helix	trans	-63.2	-37.3	178.7	179.9	0	0	0	0	112.8	K83 D84 K91	K83-S87 PolarHBondContact O-N 2.79Å; K83-S87 VanDerWaalsContact O-N 3.14Å; D84-S87 PolarHBondContact O-N 2.88Å; D84-S87 VanDerWaalsContact O-N 3.16Å; S87-K91 WeakPolarHBondContact O-CG 3.48Å; S87-K91 PolarHBondContact O-N 3.01Å; S87-K91 VanDerWaalsContact O-N 3.16Å
88	I	91.4	Very high	89	Confident	10 Å²	10	65.6 Å²	65.6	5%	0.051	32%	0.322	C	S	.	.	H	α-helix	trans	-68.6	-39.6	175	-64.3	156.1	0	0	0	110.9	E58 I61 K62 Y65 D84 R86 K91 I92	E58-I88 HydrophobicContact CB-CG2 4.5Å; E58-I88 WeakPolarHBondContact O-CG2 3.48Å; I61-I88 HydrophobicContact CG2-CD1 3.68Å; I61-I88 HydrophobicContact CG2-CG1 4.27Å; K62-I88 HydrophobicContact CB-CG2 3.76Å; K62-I88 HydrophobicContact CG-CG2 4.4Å; Y65-I88 HydrophobicContact CD2-CD1 3.44Å; Y65-I88 VanDerWaalsContact CD2-CD1 3.44Å; Y65-I88 HydrophobicContact CE2-CD1 3.71Å; Y65-I88 HydrophobicContact CG-CD1 3.91Å; D84-I88 WeakPolarHBondContact O-CD1 3.27Å; D84-I88 WeakPolarHBondContact O-CG1 3.22Å; D84-I88 PolarHBondContact O-N 2.93Å; R86-I88 VanDerWaalsContact C-N 3.33Å; R86-I88 PolarHBondContact O-N 3.34Å; I88-K91 PolarHBondContact O-N 3.18Å; I88-I92 HydrophobicContact CG2-CD1 3.89Å; I88-I92 WeakPolarHBondContact O-CG1 3.24Å; I88-I92 PolarHBondContact O-N 2.74Å
89	S	88	Confident	89.3	Confident	32 Å²	32	64.9 Å²	64.9	22%	0.224	32%	0.317	C	S	.	.	H	α-helix	trans	-64	-43.4	177.1	-56.7	0	0	0	0	111.5	L85 R86 K91 I92 D93	L85-S89 WeakPolarHBondContact O-CB 3.36Å; L85-S89 PolarHBondContact O-N 3.35Å; L85-S89 PolarHBondContact O-OG 2.94Å; R86-S89 PolarHBondContact O-N 3.3Å; S89-K91 VanDerWaalsContact C-N 3.33Å; S89-K91 PolarHBondContact O-N 2.73Å; S89-I92 PolarHBondContact O-N 2.97Å; S89-I92 VanDerWaalsContact O-N 3.15Å; S89-D93 VanDerWaalsContact O-CG 3.32Å; S89-D93 PolarHBondContact O-N 3.39Å
90	E	91.8	Very high	89	Confident	121 Å²	121	64.4 Å²	64.4	57%	0.565	31%	0.314	S	S	*	.	H	α-helix	trans	-58.1	-42.2	174.1	-73.3	167.9	-172.7	0	0	111.8	R86 I92 D93 D94	R86-E90 WeakPolarHBondContact O-CG 3.46Å; R86-E90 PolarHBondContact O-N 3.23Å; E90-I92 PolarHBondContact O-N 2.73Å; E90-D93 PolarHBondContact O-N 2.77Å; E90-D94 PolarHBondContact O-N 3.35Å
91	K	91.9	Very high	88.6	Confident	98 Å²	98	59.1 Å²	59.1	43%	0.426	29%	0.294	S	S	.	.	H	α-helix	trans	-63.8	-39.8	174.9	-73.7	178.6	-179.8	-177.3	0	113.3	S87 I88 S89 D93 D94 L95	S87-K91 WeakPolarHBondContact O-CG 3.48Å; S87-K91 PolarHBondContact O-N 3.01Å; S87-K91 VanDerWaalsContact O-N 3.16Å; I88-K91 PolarHBondContact O-N 3.18Å; S89-K91 VanDerWaalsContact C-N 3.33Å; S89-K91 PolarHBondContact O-N 2.73Å; K91-D93 VanDerWaalsContact C-N 3.31Å; K91-D94 PolarHBondContact O-N 3.48Å; K91-L95 WeakPolarHBondContact O-CB 3.25Å; K91-L95 VanDerWaalsContact O-CG 3.24Å; K91-L95 WeakPolarHBondContact O-CG 3.49Å; K91-L95 PolarHBondContact O-N 3.07Å
92	I	87.6	Confident	88.3	Confident	9 Å²	9	58.8 Å²	58.8	5%	0.046	29%	0.292	C	S	.	.	H	α-helix	trans	-64.1	-42.2	177.5	-71	160.2	0	0	0	109.6	E58 M59 K62 I88 S89 E90 L95 H96	E58-I92 HydrophobicContact CB-CD1 4.13Å; E58-I92 HydrophobicContact CB-CG1 3.54Å; M59-I92 HydrophobicContact CG-CD1 4.14Å; M59-I92 HydrophobicContact SD-CD1 3.74Å; M59-I92 HydrophobicContact SD-CG2 4.28Å; K62-I92 HydrophobicContact CB-CD1 4.19Å; K62-I92 HydrophobicContact CD-CD1 3.82Å; I88-I92 HydrophobicContact CG2-CD1 3.89Å; I88-I92 WeakPolarHBondContact O-CG1 3.24Å; I88-I92 PolarHBondContact O-N 2.74Å; S89-I92 PolarHBondContact O-N 2.97Å; S89-I92 VanDerWaalsContact O-N 3.15Å; E90-I92 PolarHBondContact O-N 2.73Å; I92-L95 PolarHBondContact O-N 3.23Å; I92-H96 PolarHBondContact O-CD2 3.28Å; I92-H96 PolarHBondContact O-N 3.36Å
93	D	85.3	Confident	87.7	Confident	92 Å²	92	57.3 Å²	57.3	49%	0.492	29%	0.286	S	S	.	.	H	α-helix	trans	-62.5	-43.8	175.8	-65.9	-27.9	0	0	0	111.3	S89 E90 K91 L95 H96 S97	S89-D93 VanDerWaalsContact O-CG 3.32Å; S89-D93 PolarHBondContact O-N 3.39Å; E90-D93 PolarHBondContact O-N 2.77Å; K91-D93 VanDerWaalsContact C-N 3.31Å; D93-L95 PolarHBondContact O-N 3.05Å; D93-H96 PolarHBondContact O-N 3.23Å; D93-S97 PolarHBondContact O-N 3.33Å
94	D	90.1	Very high	86.6	Confident	96 Å²	96	51.3 Å²	51.3	51%	0.513	26%	0.261	S	S	.	.	H	α-helix	trans	-59.9	-43.9	174.5	-75.2	-17.3	0	0	0	112.3	E90 K91 S97 D98	E90-D94 PolarHBondContact O-N 3.35Å; K91-D94 PolarHBondContact O-N 3.48Å; D94-S97 WeakPolarHBondContact O-CB 3.21Å; D94-S97 PolarHBondContact O-N 3.47Å; D94-D98 PolarHBondContact O-N 3.13Å
95	L	91	Very high	85.4	Confident	14 Å²	14	50.6 Å²	50.6	7%	0.073	26%	0.255	C	S	.	.	H	α-helix	trans	-66.2	-39.5	177.6	-71.8	167.1	0	0	0	112	Y22 I51 L54 I55 E58 K91 I92 D93 S97 D98 L99	Y22-L95 HydrophobicContact CE1-CD2 4.08Å; Y22-L95 WeakPolarHBondContact OH-CD2 3.33Å; I51-L95 HydrophobicContact CG2-CB 4.22Å; I51-L95 HydrophobicContact CG2-CD2 4.16Å; I51-L95 WeakPolarHBondContact CG2-O 3.29Å; L54-L95 HydrophobicContact CB-CD1 3.87Å; L54-L95 HydrophobicContact CB-CD2 3.62Å; L54-L95 HydrophobicContact CB-CG 4.42Å; L54-L95 HydrophobicContact CD1-CD2 3.81Å; L54-L95 HydrophobicContact CG-CD2 4.37Å; I55-L95 HydrophobicContact CD1-CB 4.2Å; I55-L95 HydrophobicContact CG1-CB 3.49Å; I55-L95 VanDerWaalsContact CG1-CB 3.49Å; I55-L95 HydrophobicContact CG1-CD1 4.21Å; I55-L95 HydrophobicContact CG1-CG 4.42Å; E58-L95 HydrophobicContact CB-CD1 4.35Å; E58-L95 HydrophobicContact CG-CD1 3.75Å; K91-L95 WeakPolarHBondContact O-CB 3.25Å; K91-L95 VanDerWaalsContact O-CG 3.24Å; K91-L95 WeakPolarHBondContact O-CG 3.49Å; K91-L95 PolarHBondContact O-N 3.07Å; I92-L95 PolarHBondContact O-N 3.23Å; D93-L95 PolarHBondContact O-N 3.05Å; L95-S97 VanDerWaalsContact C-N 3.32Å; L95-D98 PolarHBondContact O-N 3.03Å; L95-L99 WeakPolarHBondContact O-CB 3.49Å; L95-L99 PolarHBondContact O-N 2.99Å
96	H	87	Confident	84.1	Confident	93 Å²	93	52.3 Å²	52.3	43%	0.431	27%	0.271	S	S	.	.	H	α-helix	trans	-63.2	-39.7	174.1	-87.3	-69.1	0	0	0	111.7	I92 D93 L99 F100	I92-H96 PolarHBondContact O-CD2 3.28Å; I92-H96 PolarHBondContact O-N 3.36Å; D93-H96 PolarHBondContact O-N 3.23Å; H96-L99 PolarHBondContact O-N 2.99Å; H96-F100 WeakPolarHBondContact O-CB 3.41Å; H96-F100 PolarHBondContact O-N 2.67Å
97	S	86.2	Confident	82.1	Confident	69 Å²	69	50.6 Å²	50.6	48%	0.483	28%	0.276	S	S	.	.	H	α-helix	trans	-61.2	-45.1	175.1	-173.5	0	0	0	0	112.2	D93 D94 L95 F100 T101	D93-S97 PolarHBondContact O-N 3.33Å; D94-S97 WeakPolarHBondContact O-CB 3.21Å; D94-S97 PolarHBondContact O-N 3.47Å; L95-S97 VanDerWaalsContact C-N 3.32Å; S97-F100 WeakPolarHBondContact O-CB 3.37Å; S97-F100 PolarHBondContact O-N 3.46Å; S97-T101 PolarHBondContact O-N 3.48Å; S97-T101 PolarHBondContact O-OG1 2.89Å
98	D	89.9	Confident	79.7	Confident	17 Å²	17	51.4 Å²	51.4	9%	0.091	29%	0.293	C	S	.	.	H	α-helix	trans	-68.1	-41.1	177.4	-69.4	-10.7	0	0	0	112.2	L18 K21 Y22 I51 D94 L95 F100 T101 I102	L18-D98 HydrophobicContact CD2-CB 3.8Å; L18-D98 VanDerWaalsContact CD2-CG 3.44Å; L18-D98 WeakPolarHBondContact CD2-OD1 3.38Å; K21-D98 WeakPolarHBondContact CD-OD2 3.32Å; K21-D98 WeakPolarHBondContact CE-OD2 3.31Å; K21-D98 VanDerWaalsContact NZ-CG 3.34Å; K21-D98 IonicContact NZ-OD1 2.87Å; K21-D98 PolarHBondContact NZ-OD1 3.38Å; K21-D98 IonicContact NZ-OD2 3.03Å; K21-D98 PolarHBondContact NZ-OD2 3.11Å; Y22-D98 HydrophobicContact CE2-CB 4.06Å; Y22-D98 WeakPolarHBondContact CE2-OD2 3.33Å; Y22-D98 PolarHBondContact OH-OD2 3.43Å; I51-D98 HydrophobicContact CD1-CB 3.5Å; D94-D98 PolarHBondContact O-N 3.13Å; L95-D98 PolarHBondContact O-N 3.03Å; D98-F100 VanDerWaalsContact C-N 3.29Å; D98-F100 PolarHBondContact O-N 2.96Å; D98-T101 WeakPolarHBondContact O-CB 3.33Å; D98-T101 PolarHBondContact O-N 3.01Å; D98-I102 WeakPolarHBondContact O-CD1 3.09Å; D98-I102 PolarHBondContact O-N 3.43Å
99	L	88	Confident	77	Confident	14 Å²	14	56 Å²	56	7%	0.073	32%	0.321	C	S	.	.	H	α-helix	trans	-60.3	-42.4	176.1	-178.6	61.3	0	0	0	111.1	K48 I51 R52 I55 L95 H96 T101 I102 E103	K48-L99 HydrophobicContact CB-CD1 4.29Å; K48-L99 HydrophobicContact CG-CD1 4.12Å; I51-L99 HydrophobicContact CB-CB 4.47Å; I51-L99 HydrophobicContact CB-CD1 4.45Å; I51-L99 HydrophobicContact CG2-CB 3.77Å; R52-L99 HydrophobicContact CG-CD1 3.94Å; R52-L99 HydrophobicContact CG-CD2 3.67Å; R52-L99 HydrophobicContact CG-CG 4.5Å; I55-L99 HydrophobicContact CD1-CB 4.31Å; I55-L99 HydrophobicContact CD1-CD2 3.83Å; L95-L99 WeakPolarHBondContact O-CB 3.49Å; L95-L99 PolarHBondContact O-N 2.99Å; H96-L99 PolarHBondContact O-N 2.99Å; L99-T101 VanDerWaalsContact C-N 3.33Å; L99-I102 PolarHBondContact O-N 3.07Å; L99-E103 HydrophobicContact CD1-CG 4.47Å; L99-E103 HydrophobicContact CG-CG 4.47Å; L99-E103 WeakPolarHBondContact O-CB 3.5Å; L99-E103 WeakPolarHBondContact O-CG 3.3Å; L99-E103 PolarHBondContact O-N 2.66Å
100	F	81.1	Confident	74.4	Confident	79 Å²	79	56.2 Å²	56.2	35%	0.346	33%	0.325	S	S	.	.	H	α-helix	trans	-59.8	-45.3	175.5	-178.8	-96.5	0	0	0	111.2	H96 S97 D98 I102 E103 M104 L538	H96-F100 WeakPolarHBondContact O-CB 3.41Å; H96-F100 PolarHBondContact O-N 2.67Å; S97-F100 WeakPolarHBondContact O-CB 3.37Å; S97-F100 PolarHBondContact O-N 3.46Å; D98-F100 VanDerWaalsContact C-N 3.29Å; D98-F100 PolarHBondContact O-N 2.96Å; F100-I102 VanDerWaalsContact C-N 3.3Å; F100-I102 PolarHBondContact O-N 2.84Å; F100-E103 PolarHBondContact O-N 3.1Å; F100-E103 VanDerWaalsContact O-N 3.09Å; F100-M104 PolarHBondContact O-N 3.25Å; F100-M104 VanDerWaalsContact O-N 3.14Å; F100-L538 HydrophobicContact CE2-CD1 4.32Å
101	T	80.8	Confident	71.4	Confident	32 Å²	32	57.3 Å²	57.3	20%	0.196	34%	0.335	C	S	.	.	H	α-helix	trans	-57.5	-41.8	176	-56.1	0	0	0	0	111.7	Q14 L18 S97 D98 L99 M104 Y105	Q14-T101 HydrophobicContact CB-CG2 4.45Å; L18-T101 HydrophobicContact CD1-CG2 3.65Å; S97-T101 PolarHBondContact O-N 3.48Å; S97-T101 PolarHBondContact O-OG1 2.89Å; D98-T101 WeakPolarHBondContact O-CB 3.33Å; D98-T101 PolarHBondContact O-N 3.01Å; L99-T101 VanDerWaalsContact C-N 3.33Å; T101-M104 WeakPolarHBondContact O-CB 3.39Å; T101-Y105 HydrophobicContact CG2-CE2 4.31Å; T101-Y105 WeakPolarHBondContact O-CD2 3.42Å
102	I	81.6	Confident	68.4	Low	0 Å²	0	60.3 Å²	60.3	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-73.1	-33	177	-63.9	147.5	0	0	0	112	L18 V44 L47 K48 I51 D98 L99 F100 M104 Y105 A106	L18-I102 HydrophobicContact CD1-CD1 4.15Å; L18-I102 HydrophobicContact CD1-CG1 3.74Å; V44-I102 HydrophobicContact CB-CG2 4.34Å; V44-I102 HydrophobicContact CG1-CG2 3.78Å; V44-I102 WeakPolarHBondContact O-CG2 3.49Å; L47-I102 HydrophobicContact CB-CD1 3.63Å; L47-I102 HydrophobicContact CB-CG1 4.08Å; L47-I102 HydrophobicContact CB-CG2 4.1Å; L47-I102 HydrophobicContact CD1-CD1 4.4Å; L47-I102 HydrophobicContact CD1-CG1 4.25Å; L47-I102 HydrophobicContact CD2-CD1 4.39Å; L47-I102 HydrophobicContact CG-CD1 4.38Å; K48-I102 HydrophobicContact CD-CG2 4.42Å; K48-I102 HydrophobicContact CG-CB 4.38Å; K48-I102 HydrophobicContact CG-CG2 3.53Å; I51-I102 HydrophobicContact CD1-CD1 3.24Å; I51-I102 HydrophobicContact CG1-CD1 4.15Å; D98-I102 WeakPolarHBondContact O-CD1 3.09Å; D98-I102 PolarHBondContact O-N 3.43Å; L99-I102 PolarHBondContact O-N 3.07Å; F100-I102 VanDerWaalsContact C-N 3.3Å; F100-I102 PolarHBondContact O-N 2.84Å; I102-M104 VanDerWaalsContact C-N 3.29Å; I102-M104 PolarHBondContact O-N 2.96Å; I102-Y105 PolarHBondContact O-N 2.93Å; I102-A106 PolarHBondContact O-N 3.39Å
103	E	75.2	Confident	65.5	Low	41 Å²	41	66.2 Å²	66.2	19%	0.192	39%	0.393	C	S	.	.	H	α-helix	trans	-63.2	-35	177.9	-79.2	-178.5	167.2	0	0	112.5	K48 R52 L99 F100 Y105 A106	K48-E103 HydrophobicContact CD-CG 4.3Å; R52-E103 IonicContact CZ-OE1 3.97Å; R52-E103 IonicContact NE-OE1 2.74Å; R52-E103 IonicContact NH2-OE1 2.96Å; R52-E103 PolarHBondContact NH2-OE1 3.02Å; L99-E103 HydrophobicContact CD1-CG 4.47Å; L99-E103 HydrophobicContact CG-CG 4.47Å; L99-E103 WeakPolarHBondContact O-CB 3.5Å; L99-E103 WeakPolarHBondContact O-CG 3.3Å; L99-E103 PolarHBondContact O-N 2.66Å; F100-E103 PolarHBondContact O-N 3.1Å; F100-E103 VanDerWaalsContact O-N 3.09Å; E103-Y105 VanDerWaalsContact C-N 3.27Å; E103-Y105 PolarHBondContact O-N 2.82Å; E103-A106 PolarHBondContact O-N 2.83Å; E103-A106 VanDerWaalsContact O-N 3.16Å
104	M	69.4	Low	62.9	Low	15 Å²	15	69.7 Å²	69.7	7%	0.074	41%	0.411	C	S	.	.	H	α-helix	trans	-54	-41.2	171.6	176	-179	37.5	0	0	113	F100 T101 I102 A106 T107 L385 S386	F100-M104 PolarHBondContact O-N 3.25Å; F100-M104 VanDerWaalsContact O-N 3.14Å; T101-M104 WeakPolarHBondContact O-CB 3.39Å; I102-M104 VanDerWaalsContact C-N 3.29Å; I102-M104 PolarHBondContact O-N 2.96Å; M104-A106 VanDerWaalsContact C-N 3.32Å; M104-A106 PolarHBondContact O-N 3.34Å; M104-T107 PolarHBondContact O-OG1 3.05Å; M104-T107 VanDerWaalsContact O-OG1 3.09Å; M104-L385 HydrophobicContact CE-CB 3.9Å; M104-L385 HydrophobicContact SD-CB 3.71Å; M104-S386 VanDerWaalsContact CE-OG 3.29Å; M104-S386 WeakPolarHBondContact CE-OG 3.08Å; M104-S386 VanDerWaalsContact CG-CB 3.49Å; M104-S386 WeakPolarHBondContact SD-CA 3.38Å; M104-S386 WeakPolarHBondContact SD-CB 3.3Å; M104-S386 PolarHBondContact SD-N 3.16Å; M104-S386 PolarHBondContact SD-OG 3.45Å
105	Y	66.6	Low	59.8	Low	27 Å²	27	69 Å²	69	11%	0.106	42%	0.418	C	S	.	.	H	α-helix	trans	-79.3	-14.2	-176.4	-68.1	-73.8	0	0	0	113.6	P12 Q14 L15 T101 I102 E103 A110	P12-Y105 HydrophobicContact CB-CD1 4.33Å; P12-Y105 HydrophobicContact CB-CE1 3.43Å; P12-Y105 VanDerWaalsContact CB-CE1 3.43Å; P12-Y105 WeakPolarHBondContact CB-OH 3.39Å; P12-Y105 HydrophobicContact CG-CD1 3.85Å; P12-Y105 HydrophobicContact CG-CE1 3.32Å; Q14-Y105 HydrophobicContact CB-CE2 4.49Å; Q14-Y105 PolarHBondContact OE1-OH 3.19Å; L15-Y105 HydrophobicContact CD1-CD1 3.67Å; L15-Y105 HydrophobicContact CD1-CD2 3.48Å; L15-Y105 VanDerWaalsContact CD1-CD2 3.48Å; L15-Y105 HydrophobicContact CD1-CE1 4.15Å; L15-Y105 HydrophobicContact CD1-CE2 3.99Å; L15-Y105 HydrophobicContact CD1-CG 3.3Å; L15-Y105 HydrophobicContact CG-CD2 3.7Å; L15-Y105 HydrophobicContact CG-CE2 3.99Å; L15-Y105 HydrophobicContact CG-CG 4.07Å; T101-Y105 HydrophobicContact CG2-CE2 4.31Å; T101-Y105 WeakPolarHBondContact O-CD2 3.42Å; I102-Y105 PolarHBondContact O-N 2.93Å; E103-Y105 VanDerWaalsContact C-N 3.27Å; E103-Y105 PolarHBondContact O-N 2.82Å; Y105-A110 HydrophobicContact CD1-CB 4.4Å; Y105-A110 HydrophobicContact CE1-CB 4.4Å
106	A	61.6	Low	56.6	Low	52 Å²	52	76 Å²	76	43%	0.43	46%	0.456	S	S	.	.	H	α-helix	trans	-84.6	-15.8	177.7	0	0	0	0	0	113.9	V44 I102 E103 M104	V44-A106 HydrophobicContact CG1-CB 3.72Å; I102-A106 PolarHBondContact O-N 3.39Å; E103-A106 PolarHBondContact O-N 2.83Å; E103-A106 VanDerWaalsContact O-N 3.16Å; M104-A106 VanDerWaalsContact C-N 3.32Å; M104-A106 PolarHBondContact O-N 3.34Å
107	T	48.3	Very low	53.9	Low	96 Å²	96	76.2 Å²	76.2	59%	0.589	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	3.5	-175.6	46.7	0	0	0	0	113.8	M104 T109	M104-T107 PolarHBondContact O-OG1 3.05Å; M104-T107 VanDerWaalsContact O-OG1 3.09Å; T107-T109 PolarHBondContact O-N 2.93Å; T107-T109 PolarHBondContact OG1-OG1 2.77Å; T107-T109 VanDerWaalsContact OG1-OG1 3.08Å
108	G	42	Very low	51	Low	73 Å²	73	80.1 Å²	80.1	75%	0.753	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	12.4	175.5	0	0	0	0	0	115
109	T	34.6	Very low	48.2	Very low	105 Å²	105	90.5 Å²	90.5	64%	0.644	53%	0.529	S	S	*	.			trans	-96.9	21.4	-168	45.9	0	0	0	0	114.7	T107	T107-T109 PolarHBondContact O-N 2.93Å; T107-T109 PolarHBondContact OG1-OG1 2.77Å; T107-T109 VanDerWaalsContact OG1-OG1 3.08Å
110	A	32.2	Very low	45.2	Very low	37 Å²	37	96.1 Å²	96.1	31%	0.306	56%	0.559	S	S	.	*			trans	-102.9	-15.4	-168.3	0	0	0	0	0	116.1	Y105	Y105-A110 HydrophobicContact CD1-CB 4.4Å; Y105-A110 HydrophobicContact CE1-CB 4.4Å
111	D	28.9	Very low	42.9	Very low	144 Å²	144	100.9 Å²	100.9	77%	0.77	58%	0.582	S	S	*	*			trans	-116.4	106.6	176.8	-81.1	-21	0	0	0	109.7
112	N	29.6	Very low	40.4	Very low	161 Å²	161	104.7 Å²	104.7	86%	0.861	61%	0.606	S	S	*	*			trans	167.6	72	145.1	-81.7	-22.8	0	0	0	109.5	D114	N112-D114 VanDerWaalsContact C-N 3.34Å; N112-D114 PolarHBondContact O-N 3.48Å
113	T	26.2	Very low	38	Very low	134 Å²	134	111.7 Å²	111.7	82%	0.822	64%	0.643	S	S	*	*			trans	-73.1	94.8	146.4	45.9	0	0	0	0	107.1
114	D	30.2	Very low	36.1	Very low	164 Å²	164	116.8 Å²	116.8	88%	0.877	67%	0.671	S	S	*	*			trans	-174.3	134.8	141.8	-91.9	-25.4	0	0	0	110.5	N112	N112-D114 VanDerWaalsContact C-N 3.34Å; N112-D114 PolarHBondContact O-N 3.48Å
115	A	25.2	Very low	34.9	Very low	81 Å²	81	121.5 Å²	121.5	67%	0.669	70%	0.695	S	S	*	*			trans	-70.6	151.2	-174.9	0	0	0	0	0	112.6
116	N	24.8	Very low	34.5	Very low	162 Å²	162	123.6 Å²	123.6	87%	0.866	71%	0.714	S	S	*	*			trans	73.5	93.8	159.3	-55	-32.9	0	0	0	117.6
117	A	29.4	Very low	34.5	Very low	97 Å²	97	125 Å²	125	80%	0.802	71%	0.714	S	S	*	*			trans	-174.7	128.2	131.8	0	0	0	0	0	110.1
118	D	25.5	Very low	35.3	Very low	152 Å²	152	124.7 Å²	124.7	81%	0.813	72%	0.716	S	S	*	*			trans	-38.8	133.5	160.8	-79.7	-45.2	0	0	0	111.7
119	Y	30.2	Very low	36.5	Very low	235 Å²	235	123.6 Å²	123.6	92%	0.922	70%	0.7	S	S	*	*			trans	-161.5	122.9	138	-96.6	-71.9	0	0	0	110.1
120	D	26.6	Very low	38.2	Very low	131 Å²	131	119 Å²	119	70%	0.701	67%	0.671	S	S	*	*			trans	-67.5	126.5	173.1	172.6	26.6	0	0	0	111.6
121	E	32.1	Very low	40.2	Very low	179 Å²	179	121 Å²	121	84%	0.836	68%	0.677	S	S	*	*			trans	-136.3	96.7	161	-88	-165.2	160.4	0	0	110.6
122	T	28	Very low	42.2	Very low	113 Å²	113	118.1 Å²	118.1	69%	0.693	67%	0.668	S	S	*	*			trans	-93.5	108.5	161.2	33.5	0	0	0	0	109.3
123	L	32.4	Very low	44.4	Very low	147 Å²	147	115.3 Å²	115.3	77%	0.77	65%	0.648	S	S	*	*			trans	-143.4	103.1	172.3	-75.4	175.6	0	0	0	114.8
124	D	34.1	Very low	46.8	Very low	148 Å²	148	110 Å²	110	79%	0.791	62%	0.615	S	S	*	*			trans	65	84.6	136.4	-92.6	-19.9	0	0	0	122.7
125	I	45.5	Very low	49.1	Very low	113 Å²	113	104.5 Å²	104.5	58%	0.579	59%	0.593	S	S	*	*			trans	-89.9	115.5	148.9	-60	174	0	0	0	108.3	N127 A129 I130	I125-N127 PolarHBondContact O-N 2.76Å; I125-A129 HydrophobicContact CG2-CB 4.3Å; I125-I130 HydrophobicContact CG2-CD1 4.44Å; I125-I130 HydrophobicContact CG2-CG1 4.07Å
126	S	56.7	Low	51.6	Low	71 Å²	71	101.8 Å²	101.8	50%	0.497	57%	0.573	S	S	.	*			trans	-55.3	135.9	-179.6	69	0	0	0	0	113.2	S128 A129 I130	S126-S128 PolarHBondContact O-N 3.19Å; S126-A129 WeakPolarHBondContact O-CB 3.42Å; S126-A129 PolarHBondContact O-N 3.38Å; S126-I130 PolarHBondContact O-N 3.04Å
127	N	61.5	Low	54.2	Low	81 Å²	81	94.9 Å²	94.9	43%	0.433	54%	0.536	S	S	.	.	H	α-helix	trans	-54	-25.7	175.6	-77.3	-38	0	0	0	113.4	I125 I130 N131	I125-N127 PolarHBondContact O-N 2.76Å; N127-I130 PolarHBondContact O-N 3.03Å; N127-N131 WeakPolarHBondContact O-CB 3.43Å; N127-N131 PolarHBondContact O-N 2.82Å; N127-N131 PolarHBondContact O-ND2 2.74Å
128	S	64.9	Low	56.7	Low	91 Å²	91	92.6 Å²	92.6	64%	0.636	51%	0.512	S	S	*	.	H	α-helix	trans	-61.5	-45.1	173.3	176.6	0	0	0	0	112.8	S126 N131 S132	S126-S128 PolarHBondContact O-N 3.19Å; S128-N131 PolarHBondContact O-N 3.05Å; S128-S132 WeakPolarHBondContact O-CB 3.48Å; S128-S132 PolarHBondContact O-N 3.12Å
129	A	67.7	Low	59.5	Low	49 Å²	49	91.8 Å²	91.8	41%	0.405	50%	0.497	S	S	.	.	H	α-helix	trans	-66.4	-40.1	178.6	0	0	0	0	0	111.6	I125 S126 S132 K133	I125-A129 HydrophobicContact CG2-CB 4.3Å; S126-A129 WeakPolarHBondContact O-CB 3.42Å; S126-A129 PolarHBondContact O-N 3.38Å; A129-S132 PolarHBondContact O-N 2.9Å; A129-K133 WeakPolarHBondContact O-CB 3.46Å; A129-K133 PolarHBondContact O-N 3.06Å
130	I	69.7	Low	61.9	Low	10 Å²	10	83.8 Å²	83.8	5%	0.051	47%	0.468	C	S	.	.	H	α-helix	trans	-61.3	-51.5	175.1	-60.2	177.8	0	0	0	109.9	I125 S126 N127 S132 K133 V134 V195 L198 Q199	I125-I130 HydrophobicContact CG2-CD1 4.44Å; I125-I130 HydrophobicContact CG2-CG1 4.07Å; S126-I130 PolarHBondContact O-N 3.04Å; N127-I130 PolarHBondContact O-N 3.03Å; I130-S132 PolarHBondContact O-N 2.85Å; I130-K133 PolarHBondContact O-N 2.9Å; I130-K133 VanDerWaalsContact O-N 3.13Å; I130-V134 HydrophobicContact CG2-CG2 4.47Å; I130-V134 WeakPolarHBondContact O-CG2 3.49Å; I130-V134 PolarHBondContact O-N 2.92Å; I130-V195 HydrophobicContact CG2-CG1 3.78Å; I130-L198 HydrophobicContact CD1-CB 4.48Å; I130-Q199 HydrophobicContact CG2-CB 4.11Å
131	N	73.9	Confident	64.5	Low	79 Å²	79	79.2 Å²	79.2	42%	0.422	44%	0.444	S	S	.	.	H	α-helix	trans	-60	-41.3	179.4	-74.1	-27.5	0	0	0	113.1	N127 S128 K133 V134 A135	N127-N131 WeakPolarHBondContact O-CB 3.43Å; N127-N131 PolarHBondContact O-N 2.82Å; N127-N131 PolarHBondContact O-ND2 2.74Å; S128-N131 PolarHBondContact O-N 3.05Å; N131-K133 VanDerWaalsContact C-N 3.33Å; N131-K133 PolarHBondContact O-N 2.82Å; N131-V134 PolarHBondContact O-N 3.19Å; N131-A135 WeakPolarHBondContact O-CB 3.41Å; N131-A135 PolarHBondContact O-N 3.39Å
132	S	72.4	Confident	67.1	Low	83 Å²	83	76.1 Å²	76.1	58%	0.58	43%	0.429	S	S	*	.	H	α-helix	trans	-62.8	-40.7	176.2	-173.3	0	0	0	0	111.8	S128 A129 I130 A135 G136	S128-S132 WeakPolarHBondContact O-CB 3.48Å; S128-S132 PolarHBondContact O-N 3.12Å; A129-S132 PolarHBondContact O-N 2.9Å; I130-S132 PolarHBondContact O-N 2.85Å; S132-A135 PolarHBondContact O-N 3.2Å; S132-G136 PolarHBondContact O-N 3.14Å
133	K	74.2	Confident	69.7	Low	101 Å²	101	77.2 Å²	77.2	44%	0.439	42%	0.421	S	S	.	.	H	α-helix	trans	-67.9	-42.9	176.8	-167.4	163.8	177.5	177.7	0	112	A129 I130 N131 A135 G136 L137 E191 V195	A129-K133 WeakPolarHBondContact O-CB 3.46Å; A129-K133 PolarHBondContact O-N 3.06Å; I130-K133 PolarHBondContact O-N 2.9Å; I130-K133 VanDerWaalsContact O-N 3.13Å; N131-K133 VanDerWaalsContact C-N 3.33Å; N131-K133 PolarHBondContact O-N 2.82Å; K133-A135 PolarHBondContact O-N 2.8Å; K133-G136 PolarHBondContact O-N 3.45Å; K133-L137 HydrophobicContact CG-CD1 4.05Å; K133-L137 WeakPolarHBondContact O-CG 3.45Å; K133-L137 PolarHBondContact O-N 2.77Å; K133-E191 WeakPolarHBondContact CE-OE1 3.28Å; K133-E191 IonicContact NZ-OE1 3.43Å; K133-E191 PolarHBondContact NZ-OE1 2.99Å; K133-V195 HydrophobicContact CB-CG1 4.34Å; K133-V195 HydrophobicContact CD-CG2 4.11Å; K133-V195 HydrophobicContact CG-CG1 4.46Å; K133-V195 HydrophobicContact CG-CG2 4.22Å
134	V	77.2	Confident	72.3	Confident	23 Å²	23	71.2 Å²	71.2	14%	0.139	39%	0.389	C	S	.	.	H	α-helix	trans	-56.8	-47.9	172.4	172.2	0	0	0	0	111.1	I130 N131 G136 L137 T138 L192 V195 Q196	I130-V134 HydrophobicContact CG2-CG2 4.47Å; I130-V134 WeakPolarHBondContact O-CG2 3.49Å; I130-V134 PolarHBondContact O-N 2.92Å; N131-V134 PolarHBondContact O-N 3.19Å; V134-G136 VanDerWaalsContact C-N 3.32Å; V134-G136 PolarHBondContact O-N 3.38Å; V134-L137 PolarHBondContact O-N 3.02Å; V134-T138 WeakPolarHBondContact O-CB 3.28Å; V134-T138 PolarHBondContact O-N 2.9Å; V134-T138 PolarHBondContact O-OG1 3.49Å; V134-L192 HydrophobicContact CB-CD1 4.47Å; V134-L192 HydrophobicContact CG1-CD1 3.95Å; V134-V195 HydrophobicContact CG2-CB 4.25Å; V134-V195 HydrophobicContact CG2-CG1 3.51Å; V134-Q196 HydrophobicContact CG2-CG 4.44Å
135	A	78.2	Confident	74.7	Confident	49 Å²	49	66.2 Å²	66.2	41%	0.405	37%	0.365	S	S	.	.	H	α-helix	trans	-67.1	-30.8	178.5	0	0	0	0	0	113.2	N131 S132 K133 R139	N131-A135 WeakPolarHBondContact O-CB 3.41Å; N131-A135 PolarHBondContact O-N 3.39Å; S132-A135 PolarHBondContact O-N 3.2Å; K133-A135 PolarHBondContact O-N 2.8Å; A135-R139 WeakPolarHBondContact O-CG 3.41Å; A135-R139 PolarHBondContact O-N 2.83Å; A135-R139 PolarHBondContact O-NE 3.4Å
136	G	78	Confident	76.7	Confident	24 Å²	24	68.2 Å²	68.2	25%	0.247	37%	0.37	C	S	.	.	H	α-helix	trans	-66	-51.8	172.6	0	0	0	0	0	112.4	S132 K133 V134 R139 E140	S132-G136 PolarHBondContact O-N 3.14Å; K133-G136 PolarHBondContact O-N 3.45Å; V134-G136 VanDerWaalsContact C-N 3.32Å; V134-G136 PolarHBondContact O-N 3.38Å; G136-R139 PolarHBondContact O-N 3.45Å; G136-E140 PolarHBondContact O-N 2.95Å; G136-E140 VanDerWaalsContact O-N 3.15Å
137	L	79.9	Confident	78	Confident	16 Å²	16	68.2 Å²	68.2	8%	0.084	37%	0.367	C	S	.	.	H	α-helix	trans	-63.7	-41.4	-179.3	-70.3	164.1	0	0	0	112.2	K133 V134 R139 E140 L141 L188 E191 L192 V195	K133-L137 HydrophobicContact CG-CD1 4.05Å; K133-L137 WeakPolarHBondContact O-CG 3.45Å; K133-L137 PolarHBondContact O-N 2.77Å; V134-L137 PolarHBondContact O-N 3.02Å; L137-R139 PolarHBondContact O-N 3.22Å; L137-E140 PolarHBondContact O-N 3.32Å; L137-E140 VanDerWaalsContact O-N 3.13Å; L137-L141 WeakPolarHBondContact O-CB 3.37Å; L137-L141 PolarHBondContact O-N 3.33Å; L137-L188 HydrophobicContact CD2-CD2 4.17Å; L137-E191 HydrophobicContact CD1-CB 4.45Å; L137-E191 HydrophobicContact CD1-CG 3.69Å; L137-E191 HydrophobicContact CD2-CB 4.21Å; L137-E191 HydrophobicContact CD2-CG 3.64Å; L137-E191 HydrophobicContact CG-CG 4.33Å; L137-L192 HydrophobicContact CB-CD1 3.83Å; L137-V195 HydrophobicContact CD1-CB 4.41Å; L137-V195 HydrophobicContact CD1-CG2 3.89Å
138	T	81.1	Confident	79.3	Confident	49 Å²	49	66.7 Å²	66.7	30%	0.301	36%	0.356	S	S	.	.	H	α-helix	trans	-59.4	-45.3	177.1	-54.3	0	0	0	0	111.7	V134 E140 L141 E142	V134-T138 WeakPolarHBondContact O-CB 3.28Å; V134-T138 PolarHBondContact O-N 2.9Å; V134-T138 PolarHBondContact O-OG1 3.49Å; T138-E140 VanDerWaalsContact C-N 3.29Å; T138-E140 PolarHBondContact O-N 3.11Å; T138-L141 WeakPolarHBondContact O-CB 3.36Å; T138-L141 PolarHBondContact O-N 3.04Å; T138-E142 PolarHBondContact O-N 3.2Å; T138-E142 VanDerWaalsContact O-N 3.09Å
139	R	84.5	Confident	80.3	Confident	136 Å²	136	65.5 Å²	65.5	51%	0.513	34%	0.343	S	S	.	.	H	α-helix	trans	-65.3	-32.8	176.7	-76	-180	-72.2	150.2	-4.9	112.5	A135 G136 L137 R143	A135-R139 WeakPolarHBondContact O-CG 3.41Å; A135-R139 PolarHBondContact O-N 2.83Å; A135-R139 PolarHBondContact O-NE 3.4Å; G136-R139 PolarHBondContact O-N 3.45Å; L137-R139 PolarHBondContact O-N 3.22Å; R139-R143 WeakPolarHBondContact O-CG 3.42Å; R139-R143 PolarHBondContact O-N 3.41Å
140	E	80.2	Confident	80.9	Confident	67 Å²	67	65.3 Å²	65.3	31%	0.313	35%	0.345	S	S	.	.	H	α-helix	trans	-73.8	-37.1	177.1	-165.5	159.5	-171.2	0	0	112.2	G136 L137 T138 R143 E144 K184 L188	G136-E140 PolarHBondContact O-N 2.95Å; G136-E140 VanDerWaalsContact O-N 3.15Å; L137-E140 PolarHBondContact O-N 3.32Å; L137-E140 VanDerWaalsContact O-N 3.13Å; T138-E140 VanDerWaalsContact C-N 3.29Å; T138-E140 PolarHBondContact O-N 3.11Å; E140-R143 PolarHBondContact O-N 3.05Å; E140-E144 PolarHBondContact O-N 2.93Å; E140-K184 IonicContact OE1-NZ 3.19Å; E140-L188 HydrophobicContact CB-CD1 4.4Å; E140-L188 HydrophobicContact CB-CD2 3.95Å; E140-L188 HydrophobicContact CG-CD1 4Å; E140-L188 HydrophobicContact CG-CD2 3.89Å
141	L	82.9	Confident	81.6	Confident	35 Å²	35	65.9 Å²	65.9	18%	0.183	35%	0.348	C	S	.	.	H	α-helix	trans	-58.8	-46.5	172.6	-172.6	74.8	0	0	0	111.7	L137 T138 R143 E144 S145 L185 L188 R189	L137-L141 WeakPolarHBondContact O-CB 3.37Å; L137-L141 PolarHBondContact O-N 3.33Å; T138-L141 WeakPolarHBondContact O-CB 3.36Å; T138-L141 PolarHBondContact O-N 3.04Å; L141-R143 PolarHBondContact O-N 3.34Å; L141-E144 PolarHBondContact O-N 2.82Å; L141-S145 WeakPolarHBondContact O-CB 3.46Å; L141-S145 PolarHBondContact O-N 3.44Å; L141-L185 HydrophobicContact CD1-CD2 3.73Å; L141-L185 HydrophobicContact CG-CD2 4.35Å; L141-L188 HydrophobicContact CB-CB 4.33Å; L141-L188 HydrophobicContact CD1-CB 3.59Å; L141-R189 HydrophobicContact CD1-CG 3.73Å; L141-R189 HydrophobicContact CD2-CG 4.39Å
142	E	85.6	Confident	82.1	Confident	114 Å²	114	67.5 Å²	67.5	53%	0.533	35%	0.349	S	S	.	.	H	α-helix	trans	-62.5	-41.9	176.7	-74.3	179	-177.6	0	0	112.9	T138 S145 K146	T138-E142 PolarHBondContact O-N 3.2Å; T138-E142 VanDerWaalsContact O-N 3.09Å; E142-S145 PolarHBondContact O-N 2.84Å; E142-K146 PolarHBondContact O-N 3.37Å
143	R	83.7	Confident	82.7	Confident	135 Å²	135	70.2 Å²	70.2	51%	0.509	35%	0.351	S	S	.	.	H	α-helix	trans	-63.7	-46.4	177.7	-74.4	-176.1	-132.4	107.9	-1.1	111.2	R139 E140 L141 S145 K146 V147	R139-R143 WeakPolarHBondContact O-CG 3.42Å; R139-R143 PolarHBondContact O-N 3.41Å; E140-R143 PolarHBondContact O-N 3.05Å; L141-R143 PolarHBondContact O-N 3.34Å; R143-S145 VanDerWaalsContact C-N 3.3Å; R143-S145 PolarHBondContact O-N 2.97Å; R143-K146 PolarHBondContact O-N 2.85Å; R143-V147 WeakPolarHBondContact O-CG2 3.49Å; R143-V147 PolarHBondContact O-N 3.25Å
144	E	87.1	Confident	82.9	Confident	22 Å²	22	70 Å²	70	10%	0.103	35%	0.35	C	S	.	.	H	α-helix	trans	-67.3	-32.4	179.9	-162.9	64.1	-145	0	0	111.8	E140 L141 K146 V147 K148 S181 K184 L185 L188	E140-E144 PolarHBondContact O-N 2.93Å; L141-E144 PolarHBondContact O-N 2.82Å; E144-K146 VanDerWaalsContact C-N 3.34Å; E144-K146 PolarHBondContact O-N 2.82Å; E144-V147 WeakPolarHBondContact O-CB 3.39Å; E144-V147 PolarHBondContact O-N 3.3Å; E144-V147 VanDerWaalsContact O-N 3.11Å; E144-K148 PolarHBondContact O-N 2.94Å; E144-S181 PolarHBondContact OE1-OG 3.04Å; E144-K184 HydrophobicContact CG-CB 4.06Å; E144-K184 HydrophobicContact CG-CD 4.07Å; E144-K184 HydrophobicContact CG-CG 3.98Å; E144-K184 WeakPolarHBondContact OE2-CD 3.37Å; E144-K184 WeakPolarHBondContact OE2-CE 3.09Å; E144-K184 IonicContact OE2-NZ 2.9Å; E144-K184 PolarHBondContact OE2-NZ 2.71Å; E144-L185 HydrophobicContact CB-CD2 4Å; E144-L185 HydrophobicContact CB-CG 4.21Å; E144-L185 HydrophobicContact CG-CD2 4.3Å; E144-L185 HydrophobicContact CG-CG 3.95Å; E144-L188 HydrophobicContact CB-CD1 3.96Å; E144-L188 HydrophobicContact CG-CD1 4.44Å
145	S	84.1	Confident	83.2	Confident	42 Å²	42	70.5 Å²	70.5	29%	0.294	35%	0.351	S	S	.	.	H	α-helix	trans	-60.2	-44.1	174.6	-168.9	0	0	0	0	111.8	L141 E142 R143 V147 K148 D149	L141-S145 WeakPolarHBondContact O-CB 3.46Å; L141-S145 PolarHBondContact O-N 3.44Å; E142-S145 PolarHBondContact O-N 2.84Å; R143-S145 VanDerWaalsContact C-N 3.3Å; R143-S145 PolarHBondContact O-N 2.97Å; S145-V147 VanDerWaalsContact C-N 3.29Å; S145-V147 PolarHBondContact O-N 3.3Å; S145-K148 WeakPolarHBondContact O-CB 3.46Å; S145-K148 PolarHBondContact O-N 3.24Å; S145-D149 PolarHBondContact O-N 3.22Å
146	K	87.7	Confident	83.4	Confident	156 Å²	156	72.8 Å²	72.8	68%	0.678	35%	0.353	S	S	*	.	H	α-helix	trans	-63.7	-34.8	175.5	-67.1	178	-178.4	179.2	0	112.2	E142 R143 E144 D149 G150	E142-K146 PolarHBondContact O-N 3.37Å; R143-K146 PolarHBondContact O-N 2.85Å; E144-K146 VanDerWaalsContact C-N 3.34Å; E144-K146 PolarHBondContact O-N 2.82Å; K146-D149 PolarHBondContact O-N 3.49Å; K146-G150 PolarHBondContact O-N 3.34Å
147	V	82.6	Confident	83.3	Confident	71 Å²	71	75.4 Å²	75.4	43%	0.43	37%	0.367	S	S	.	.	H	α-helix	trans	-65.4	-46.9	174.7	174.8	0	0	0	0	110.7	R143 E144 S145 D149 G150 L151	R143-V147 WeakPolarHBondContact O-CG2 3.49Å; R143-V147 PolarHBondContact O-N 3.25Å; E144-V147 WeakPolarHBondContact O-CB 3.39Å; E144-V147 PolarHBondContact O-N 3.3Å; E144-V147 VanDerWaalsContact O-N 3.11Å; S145-V147 VanDerWaalsContact C-N 3.29Å; S145-V147 PolarHBondContact O-N 3.3Å; V147-D149 VanDerWaalsContact C-N 3.32Å; V147-D149 PolarHBondContact O-N 2.88Å; V147-G150 PolarHBondContact O-N 3.26Å; V147-L151 HydrophobicContact CG1-CD1 3.86Å; V147-L151 HydrophobicContact CG1-CG 4.38Å; V147-L151 WeakPolarHBondContact O-CB 3.26Å; V147-L151 WeakPolarHBondContact O-CG 3.34Å; V147-L151 PolarHBondContact O-N 3.48Å
148	K	90.3	Very high	83.1	Confident	49 Å²	49	75.3 Å²	75.3	21%	0.213	37%	0.367	C	S	.	.	H	α-helix	trans	-57	-44.9	175.2	-177	-149.9	62.7	69.7	0	111.5	E144 S145 L151 Y152 L178 S181 K182 L185	E144-K148 PolarHBondContact O-N 2.94Å; S145-K148 WeakPolarHBondContact O-CB 3.46Å; S145-K148 PolarHBondContact O-N 3.24Å; K148-L151 PolarHBondContact O-N 3.04Å; K148-Y152 WeakPolarHBondContact O-CB 3.47Å; K148-Y152 PolarHBondContact O-N 3.14Å; K148-L178 HydrophobicContact CG-CD1 4.07Å; K148-S181 PolarHBondContact N-OG 2.99Å; K148-K182 HydrophobicContact CD-CG 4.33Å; K148-K182 HydrophobicContact CG-CG 4.3Å; K148-L185 HydrophobicContact CB-CD1 3.76Å; K148-L185 HydrophobicContact CD-CD1 3.7Å; K148-L185 HydrophobicContact CG-CD1 4.11Å
149	D	85.7	Confident	82.8	Confident	66 Å²	66	78 Å²	78	35%	0.353	38%	0.376	S	S	.	.	H	α-helix	trans	-62.7	-46.5	178.9	-66.1	-26.2	0	0	0	111.5	S145 K146 V147 L151 Y152 F153	S145-D149 PolarHBondContact O-N 3.22Å; K146-D149 PolarHBondContact O-N 3.49Å; V147-D149 VanDerWaalsContact C-N 3.32Å; V147-D149 PolarHBondContact O-N 2.88Å; D149-L151 VanDerWaalsContact C-N 3.34Å; D149-L151 PolarHBondContact O-N 3.32Å; D149-Y152 WeakPolarHBondContact O-CB 3.39Å; D149-Y152 PolarHBondContact O-N 3.32Å; D149-F153 WeakPolarHBondContact O-CD2 3.36Å; D149-F153 PolarHBondContact O-N 3.28Å; D149-F153 VanDerWaalsContact O-N 3.09Å
150	G	80	Confident	82.4	Confident	44 Å²	44	80.1 Å²	80.1	45%	0.454	39%	0.389	S	S	.	.	H	α-helix	trans	-60	-41.1	175.1	0	0	0	0	0	113.4	K146 V147 F154	K146-G150 PolarHBondContact O-N 3.34Å; V147-G150 PolarHBondContact O-N 3.26Å; G150-F154 WeakPolarHBondContact O-CB 3.29Å; G150-F154 PolarHBondContact O-N 3.1Å
151	L	83.8	Confident	81.7	Confident	22 Å²	22	81.8 Å²	81.8	12%	0.115	40%	0.396	C	S	.	.	H	α-helix	trans	-68.8	-34.8	176.4	-73	171.6	0	0	0	112.7	V147 K148 D149 F154 H155 M177 L178	V147-L151 HydrophobicContact CG1-CD1 3.86Å; V147-L151 HydrophobicContact CG1-CG 4.38Å; V147-L151 WeakPolarHBondContact O-CB 3.26Å; V147-L151 WeakPolarHBondContact O-CG 3.34Å; V147-L151 PolarHBondContact O-N 3.48Å; K148-L151 PolarHBondContact O-N 3.04Å; D149-L151 VanDerWaalsContact C-N 3.34Å; D149-L151 PolarHBondContact O-N 3.32Å; L151-F154 PolarHBondContact O-N 3.48Å; L151-H155 WeakPolarHBondContact O-CB 3.32Å; L151-H155 PolarHBondContact O-N 3.06Å; L151-M177 HydrophobicContact CD1-CB 4.07Å; L151-M177 WeakPolarHBondContact CD1-O 3.48Å; L151-M177 HydrophobicContact CD2-CB 3.87Å; L151-M177 HydrophobicContact CD2-CE 3.82Å; L151-M177 HydrophobicContact CD2-SD 4.36Å; L151-L178 HydrophobicContact CB-CD1 4.12Å
152	Y	84.7	Confident	80.7	Confident	113 Å²	113	81.1 Å²	81.1	44%	0.443	39%	0.392	S	S	.	.	H	α-helix	trans	-63.2	-48.4	175.9	-176.2	-94.5	0	0	0	111	K148 D149 F154 H155 Q156 L178	K148-Y152 WeakPolarHBondContact O-CB 3.47Å; K148-Y152 PolarHBondContact O-N 3.14Å; D149-Y152 WeakPolarHBondContact O-CB 3.39Å; D149-Y152 PolarHBondContact O-N 3.32Å; Y152-F154 VanDerWaalsContact C-N 3.32Å; Y152-F154 PolarHBondContact O-N 3.42Å; Y152-H155 PolarHBondContact O-N 3.02Å; Y152-Q156 WeakPolarHBondContact O-CB 3.33Å; Y152-Q156 PolarHBondContact O-N 3.07Å; Y152-L178 HydrophobicContact CD2-CD2 4.29Å
153	F	85.1	Confident	79.5	Confident	140 Å²	140	83 Å²	83	61%	0.614	40%	0.404	S	S	*	.	H	α-helix	trans	-61.6	-40.1	174.7	-72.2	-64.1	0	0	0	112.3	D149 Q156 S157	D149-F153 WeakPolarHBondContact O-CD2 3.36Å; D149-F153 PolarHBondContact O-N 3.28Å; D149-F153 VanDerWaalsContact O-N 3.09Å; F153-Q156 PolarHBondContact O-N 3.09Å; F153-S157 WeakPolarHBondContact O-CB 3.45Å; F153-S157 PolarHBondContact O-N 3.17Å
154	F	78.4	Confident	77.9	Confident	97 Å²	97	83.6 Å²	83.6	43%	0.425	42%	0.415	S	S	.	.	H	α-helix	trans	-63.8	-45.1	176.5	179.4	-110.3	0	0	0	112.5	G150 L151 Y152 S157 L158	G150-F154 WeakPolarHBondContact O-CB 3.29Å; G150-F154 PolarHBondContact O-N 3.1Å; L151-F154 PolarHBondContact O-N 3.48Å; Y152-F154 VanDerWaalsContact C-N 3.32Å; Y152-F154 PolarHBondContact O-N 3.42Å; F154-S157 PolarHBondContact O-N 2.9Å; F154-L158 HydrophobicContact CD1-CD1 3.96Å; F154-L158 HydrophobicContact CE1-CD1 3.34Å; F154-L158 HydrophobicContact CE1-CG 4.24Å; F154-L158 HydrophobicContact CE2-CD1 4.15Å; F154-L158 HydrophobicContact CE2-CG 4.23Å; F154-L158 HydrophobicContact CZ-CD1 3.46Å; F154-L158 VanDerWaalsContact CZ-CD1 3.46Å; F154-L158 HydrophobicContact CZ-CD2 4.47Å; F154-L158 HydrophobicContact CZ-CG 4.02Å; F154-L158 PolarHBondContact O-N 2.84Å
155	H	83.4	Confident	76.2	Confident	34 Å²	34	86 Å²	86	16%	0.157	43%	0.434	C	S	.	.	H	α-helix	trans	-61.4	-46.7	176.7	-177.4	69.5	0	0	0	111.3	L151 Y152 S157 L158 E159 S174	L151-H155 WeakPolarHBondContact O-CB 3.32Å; L151-H155 PolarHBondContact O-N 3.06Å; Y152-H155 PolarHBondContact O-N 3.02Å; H155-S157 VanDerWaalsContact C-N 3.32Å; H155-S157 PolarHBondContact O-N 2.92Å; H155-L158 PolarHBondContact O-N 3.2Å; H155-E159 WeakPolarHBondContact O-CB 3.32Å; H155-E159 PolarHBondContact O-N 3.02Å; H155-S174 PolarHBondContact ND1-OG 3.28Å
156	Q	81.8	Confident	74.8	Confident	96 Å²	96	94.4 Å²	94.4	45%	0.449	47%	0.465	S	S	.	.	H	α-helix	trans	-62.1	-39.4	177.5	-170.3	177.4	55.4	0	0	112	Y152 F153 E159 K160	Y152-Q156 WeakPolarHBondContact O-CB 3.33Å; Y152-Q156 PolarHBondContact O-N 3.07Å; F153-Q156 PolarHBondContact O-N 3.09Å; Q156-E159 PolarHBondContact O-N 3.31Å; Q156-K160 WeakPolarHBondContact O-CB 3.43Å; Q156-K160 PolarHBondContact O-N 2.9Å
157	S	76	Confident	73.3	Confident	79 Å²	79	91.2 Å²	91.2	55%	0.552	46%	0.455	S	S	*	.	H	α-helix	trans	-65.8	-39.4	175.2	-170.3	0	0	0	0	112.1	F153 F154 H155 F161	F153-S157 WeakPolarHBondContact O-CB 3.45Å; F153-S157 PolarHBondContact O-N 3.17Å; F154-S157 PolarHBondContact O-N 2.9Å; H155-S157 VanDerWaalsContact C-N 3.32Å; H155-S157 PolarHBondContact O-N 2.92Å; S157-F161 VanDerWaalsContact O-CB 3.29Å; S157-F161 WeakPolarHBondContact O-CB 3.18Å; S157-F161 PolarHBondContact O-N 3.5Å
158	L	75.8	Confident	72.6	Confident	15 Å²	15	95.1 Å²	95.1	8%	0.079	47%	0.466	C	S	.	.	H	α-helix	trans	-68.4	-42.8	175.8	-80.4	177.6	0	0	0	112	F154 H155 K160 F161 M162 M170 L171	F154-L158 HydrophobicContact CD1-CD1 3.96Å; F154-L158 HydrophobicContact CE1-CD1 3.34Å; F154-L158 HydrophobicContact CE1-CG 4.24Å; F154-L158 HydrophobicContact CE2-CD1 4.15Å; F154-L158 HydrophobicContact CE2-CG 4.23Å; F154-L158 HydrophobicContact CZ-CD1 3.46Å; F154-L158 VanDerWaalsContact CZ-CD1 3.46Å; F154-L158 HydrophobicContact CZ-CD2 4.47Å; F154-L158 HydrophobicContact CZ-CG 4.02Å; F154-L158 PolarHBondContact O-N 2.84Å; H155-L158 PolarHBondContact O-N 3.2Å; L158-K160 VanDerWaalsContact C-N 3.33Å; L158-K160 PolarHBondContact O-N 2.95Å; L158-F161 PolarHBondContact O-N 2.97Å; L158-M162 WeakPolarHBondContact O-CB 3.48Å; L158-M162 WeakPolarHBondContact O-CG 3.14Å; L158-M162 PolarHBondContact O-N 2.71Å; L158-M170 HydrophobicContact CD1-CG 4.21Å; L158-M170 HydrophobicContact CD1-SD 4.29Å; L158-M170 HydrophobicContact CD2-CE 4.36Å; L158-M170 HydrophobicContact CD2-CG 4.41Å; L158-M170 HydrophobicContact CD2-SD 3.62Å; L158-L171 HydrophobicContact CB-CD2 4.28Å
159	E	76.2	Confident	71.8	Confident	106 Å²	106	100 Å²	100	50%	0.495	49%	0.488	S	S	.	.	H	α-helix	trans	-59.5	-45.8	177.2	-168.7	175.7	-153.8	0	0	110.7	H155 Q156 F161 M162 L163 L171	H155-E159 WeakPolarHBondContact O-CB 3.32Å; H155-E159 PolarHBondContact O-N 3.02Å; Q156-E159 PolarHBondContact O-N 3.31Å; E159-F161 PolarHBondContact O-N 3.34Å; E159-M162 PolarHBondContact O-N 3.18Å; E159-L163 WeakPolarHBondContact O-CD1 3.49Å; E159-L163 PolarHBondContact O-N 3.49Å; E159-L171 HydrophobicContact CB-CD2 4.21Å
160	K	75.2	Confident	70.9	Confident	179 Å²	179	99.8 Å²	99.8	78%	0.778	49%	0.485	S	S	*	.	H	α-helix	trans	-64.2	-38.6	175.7	-164.7	175.3	-176.1	-179.5	0	112.9	Q156 L158	Q156-K160 WeakPolarHBondContact O-CB 3.43Å; Q156-K160 PolarHBondContact O-N 2.9Å; L158-K160 VanDerWaalsContact C-N 3.33Å; L158-K160 PolarHBondContact O-N 2.95Å
161	F	66.3	Low	70.7	Confident	102 Å²	102	99.4 Å²	99.4	45%	0.447	47%	0.473	S	S	.	.	H	α-helix	trans	-73.5	-34.4	178.4	-174.3	-100.5	0	0	0	112.6	S157 L158 E159 F582	S157-F161 VanDerWaalsContact O-CB 3.29Å; S157-F161 WeakPolarHBondContact O-CB 3.18Å; S157-F161 PolarHBondContact O-N 3.5Å; L158-F161 PolarHBondContact O-N 2.97Å; E159-F161 PolarHBondContact O-N 3.34Å; F161-F582 HydrophobicContact CE2-CE1 4.37Å
162	M	61.5	Low	70.3	Confident	21 Å²	21	102.8 Å²	102.8	10%	0.103	49%	0.491	C	S	.	.	H	α-helix	trans	-86.3	-4	-172	-84.2	-156.8	44.6	0	0	115.8	L158 E159 M164 C165 D167 M170 L171	L158-M162 WeakPolarHBondContact O-CB 3.48Å; L158-M162 WeakPolarHBondContact O-CG 3.14Å; L158-M162 PolarHBondContact O-N 2.71Å; E159-M162 PolarHBondContact O-N 3.18Å; M162-M164 PolarHBondContact O-N 3.1Å; M162-C165 PolarHBondContact O-N 3.27Å; M162-C165 VanDerWaalsContact O-N 3.17Å; M162-D167 WeakPolarHBondContact CE-O 3.46Å; M162-M170 HydrophobicContact SD-CB 4.33Å; M162-L171 HydrophobicContact CB-CD1 3.94Å; M162-L171 HydrophobicContact CB-CG 4.44Å; M162-L171 HydrophobicContact CE-CD1 3.54Å; M162-L171 HydrophobicContact CE-CG 4.04Å; M162-L171 HydrophobicContact CG-CD1 4.43Å; M162-L171 HydrophobicContact SD-CB 4.44Å; M162-L171 HydrophobicContact SD-CD1 3.83Å; M162-L171 HydrophobicContact SD-CG 3.7Å
163	L	59.2	Low	69.7	Low	153 Å²	153	100.2 Å²	100.2	80%	0.801	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-12	162.3	-101.6	92.9	0	0	0	113	E159	E159-L163 WeakPolarHBondContact O-CD1 3.49Å; E159-L163 PolarHBondContact O-N 3.49Å
164	M	51.4	Low	69.4	Low	148 Å²	148	93.6 Å²	93.6	73%	0.729	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	-2.1	179.4	-62	-166.9	-76.2	0	0	115.8	M162	M162-M164 PolarHBondContact O-N 3.1Å
165	C	50.8	Low	69.6	Low	73 Å²	73	94.6 Å²	94.6	49%	0.493	46%	0.459	S	S	.	.			trans	-141.9	135.9	-172.6	-77.6	0	0	0	0	113.4	M162 D167	M162-C165 PolarHBondContact O-N 3.27Å; M162-C165 VanDerWaalsContact O-N 3.17Å; C165-D167 VanDerWaalsContact C-N 3.28Å; C165-D167 PolarHBondContact O-N 3.29Å
166	K	55.4	Low	69.3	Low	219 Å²	219	97.2 Å²	97.2	95%	0.952	47%	0.471	S	S	*	.			trans	-74.6	1.3	-174.1	-69.8	-175.8	177	-179.2	0	116	K168	K166-K168 PolarHBondContact O-N 2.88Å; K166-K168 VanDerWaalsContact O-N 3.14Å
167	D	55.7	Low	69	Low	89 Å²	89	95.3 Å²	95.3	48%	0.476	46%	0.463	S	S	.	.			trans	-90.1	76.5	-169.9	-162.8	1.3	0	0	0	113.6	M162 C165 K169	M162-D167 WeakPolarHBondContact CE-O 3.46Å; C165-D167 VanDerWaalsContact C-N 3.28Å; C165-D167 PolarHBondContact O-N 3.29Å; D167-K169 PolarHBondContact O-N 2.89Å
168	K	68.9	Low	69.4	Low	152 Å²	152	92 Å²	92	66%	0.661	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-23.4	-179.3	-93.9	-175.2	173.4	-178.9	0	115.4	K166 M170 L171 D172	K166-K168 PolarHBondContact O-N 2.88Å; K166-K168 VanDerWaalsContact O-N 3.14Å; K168-M170 PolarHBondContact O-N 3.32Å; K168-M170 VanDerWaalsContact O-N 3.13Å; K168-L171 PolarHBondContact O-N 3.07Å; K168-L171 VanDerWaalsContact O-N 3.13Å; K168-D172 PolarHBondContact O-N 3.1Å; K168-D172 VanDerWaalsContact O-N 3.13Å
169	K	72.4	Confident	69.5	Low	153 Å²	153	94.4 Å²	94.4	67%	0.665	45%	0.452	S	S	*	.	H	α-helix	trans	-59	-32.2	-173.4	-69.2	-176.3	177.3	-178.3	0	113.3	D167 V173	D167-K169 PolarHBondContact O-N 2.89Å; K169-V173 WeakPolarHBondContact O-CG2 3.39Å; K169-V173 PolarHBondContact O-N 3.47Å
170	M	67.4	Low	69.2	Low	60 Å²	60	91.8 Å²	91.8	30%	0.296	44%	0.441	S	S	.	.	H	α-helix	trans	-75.6	-37	-179.9	-146.2	-175.6	-30.7	0	0	112.8	L158 M162 K168 V173 S174 R556	L158-M170 HydrophobicContact CD1-CG 4.21Å; L158-M170 HydrophobicContact CD1-SD 4.29Å; L158-M170 HydrophobicContact CD2-CE 4.36Å; L158-M170 HydrophobicContact CD2-CG 4.41Å; L158-M170 HydrophobicContact CD2-SD 3.62Å; M162-M170 HydrophobicContact SD-CB 4.33Å; K168-M170 PolarHBondContact O-N 3.32Å; K168-M170 VanDerWaalsContact O-N 3.13Å; M170-V173 PolarHBondContact O-N 2.84Å; M170-S174 PolarHBondContact O-N 2.74Å; M170-R556 PolarHBondContact SD-NH1 3.4Å
171	L	75.5	Confident	69.3	Low	37 Å²	37	83.4 Å²	83.4	19%	0.194	41%	0.405	C	S	.	.	H	α-helix	trans	-62.9	-46.9	174.7	-87.5	167.9	0	0	0	110.7	L158 E159 M162 K168 V173 S174 R175	L158-L171 HydrophobicContact CB-CD2 4.28Å; E159-L171 HydrophobicContact CB-CD2 4.21Å; M162-L171 HydrophobicContact CB-CD1 3.94Å; M162-L171 HydrophobicContact CB-CG 4.44Å; M162-L171 HydrophobicContact CE-CD1 3.54Å; M162-L171 HydrophobicContact CE-CG 4.04Å; M162-L171 HydrophobicContact CG-CD1 4.43Å; M162-L171 HydrophobicContact SD-CB 4.44Å; M162-L171 HydrophobicContact SD-CD1 3.83Å; M162-L171 HydrophobicContact SD-CG 3.7Å; K168-L171 PolarHBondContact O-N 3.07Å; K168-L171 VanDerWaalsContact O-N 3.13Å; L171-V173 VanDerWaalsContact C-N 3.29Å; L171-V173 PolarHBondContact O-N 3.49Å; L171-S174 PolarHBondContact O-N 2.85Å; L171-S174 VanDerWaalsContact O-N 3.14Å; L171-S174 PolarHBondContact O-OG 2.64Å; L171-R175 WeakPolarHBondContact O-CB 3.47Å; L171-R175 PolarHBondContact O-N 3.22Å
172	D	74.4	Confident	70	Confident	93 Å²	93	81.3 Å²	81.3	50%	0.497	40%	0.396	S	S	.	.	H	α-helix	trans	-59.8	-40.8	179.9	-63.5	-27.1	0	0	0	111.6	K168 Q176	K168-D172 PolarHBondContact O-N 3.1Å; K168-D172 VanDerWaalsContact O-N 3.13Å; D172-Q176 VanDerWaalsContact O-CB 3.29Å; D172-Q176 WeakPolarHBondContact O-CB 3.49Å; D172-Q176 PolarHBondContact O-N 3.5Å
173	V	72.5	Confident	70.4	Confident	58 Å²	58	81.1 Å²	81.1	35%	0.352	40%	0.397	S	S	.	.	H	α-helix	trans	-64.9	-45.9	175	168.8	0	0	0	0	112	K169 M170 L171 R175 Q176 M177 R552	K169-V173 WeakPolarHBondContact O-CG2 3.39Å; K169-V173 PolarHBondContact O-N 3.47Å; M170-V173 PolarHBondContact O-N 2.84Å; L171-V173 VanDerWaalsContact C-N 3.29Å; L171-V173 PolarHBondContact O-N 3.49Å; V173-R175 VanDerWaalsContact C-N 3.33Å; V173-R175 PolarHBondContact O-N 3.5Å; V173-Q176 PolarHBondContact O-N 2.61Å; V173-M177 HydrophobicContact CG1-SD 4.24Å; V173-M177 WeakPolarHBondContact O-CG 3.43Å; V173-M177 PolarHBondContact O-N 2.83Å; V173-R552 VanDerWaalsContact CG1-NH2 3.27Å
174	S	79	Confident	71.3	Confident	2 Å²	2	77 Å²	77	1%	0.014	37%	0.373	C	S	.	.	H	α-helix	trans	-64	-39.9	179.5	70.9	0	0	0	0	112.2	H155 M170 L171 M177 L178	H155-S174 PolarHBondContact ND1-OG 3.28Å; M170-S174 PolarHBondContact O-N 2.74Å; L171-S174 PolarHBondContact O-N 2.85Å; L171-S174 VanDerWaalsContact O-N 3.14Å; L171-S174 PolarHBondContact O-OG 2.64Å; S174-M177 PolarHBondContact O-N 2.8Å; S174-L178 PolarHBondContact O-N 3.43Å
175	R	82.9	Confident	72.5	Confident	117 Å²	117	70.1 Å²	70.1	44%	0.442	34%	0.339	S	S	.	.	H	α-helix	trans	-63.4	-47.3	175.6	-174.9	175	-177.1	155.9	3.3	110.6	L171 V173 M177 L178 D179	L171-R175 WeakPolarHBondContact O-CB 3.47Å; L171-R175 PolarHBondContact O-N 3.22Å; V173-R175 VanDerWaalsContact C-N 3.33Å; V173-R175 PolarHBondContact O-N 3.5Å; R175-M177 VanDerWaalsContact C-N 3.33Å; R175-M177 PolarHBondContact O-N 2.85Å; R175-L178 WeakPolarHBondContact O-CB 3.43Å; R175-L178 PolarHBondContact O-N 3.22Å; R175-D179 PolarHBondContact O-N 3.34Å
176	Q	76.3	Confident	73.5	Confident	89 Å²	89	70.8 Å²	70.8	42%	0.416	34%	0.335	S	S	.	.	H	α-helix	trans	-59	-42.8	176.9	-174.4	64.3	55.6	0	0	112.3	D172 V173 D179 D180	D172-Q176 VanDerWaalsContact O-CB 3.29Å; D172-Q176 WeakPolarHBondContact O-CB 3.49Å; D172-Q176 PolarHBondContact O-N 3.5Å; V173-Q176 PolarHBondContact O-N 2.61Å; Q176-D179 PolarHBondContact O-N 2.85Å; Q176-D180 PolarHBondContact NE2-OD1 2.99Å; Q176-D180 PolarHBondContact O-N 2.85Å
177	M	76.7	Confident	74.4	Confident	57 Å²	57	64.5 Å²	64.5	28%	0.281	31%	0.306	S	S	.	.	H	α-helix	trans	-64.1	-41	177.4	-70.6	178.8	75.3	0	0	112	L151 V173 S174 R175 D179 D180 S181	L151-M177 HydrophobicContact CD1-CB 4.07Å; L151-M177 WeakPolarHBondContact CD1-O 3.48Å; L151-M177 HydrophobicContact CD2-CB 3.87Å; L151-M177 HydrophobicContact CD2-CE 3.82Å; L151-M177 HydrophobicContact CD2-SD 4.36Å; V173-M177 HydrophobicContact CG1-SD 4.24Å; V173-M177 WeakPolarHBondContact O-CG 3.43Å; V173-M177 PolarHBondContact O-N 2.83Å; S174-M177 PolarHBondContact O-N 2.8Å; R175-M177 VanDerWaalsContact C-N 3.33Å; R175-M177 PolarHBondContact O-N 2.85Å; M177-D179 VanDerWaalsContact C-N 3.35Å; M177-D180 PolarHBondContact O-N 2.95Å; M177-S181 PolarHBondContact O-N 3.06Å
178	L	83.7	Confident	75.2	Confident	9 Å²	9	60.3 Å²	60.3	5%	0.047	28%	0.283	C	S	.	.	H	α-helix	trans	-63.4	-42	176.3	-178.1	63.1	0	0	0	111.4	K148 L151 Y152 S174 R175 S181 K182	K148-L178 HydrophobicContact CG-CD1 4.07Å; L151-L178 HydrophobicContact CB-CD1 4.12Å; Y152-L178 HydrophobicContact CD2-CD2 4.29Å; S174-L178 PolarHBondContact O-N 3.43Å; R175-L178 WeakPolarHBondContact O-CB 3.43Å; R175-L178 PolarHBondContact O-N 3.22Å; L178-S181 PolarHBondContact O-N 3.24Å; L178-K182 WeakPolarHBondContact O-CG 3.15Å; L178-K182 PolarHBondContact O-N 2.98Å; L178-K182 VanDerWaalsContact O-N 3.07Å
179	D	78.8	Confident	75.6	Confident	66 Å²	66	58.4 Å²	58.4	35%	0.353	27%	0.272	S	S	.	.	H	α-helix	trans	-66.8	-38.4	178.2	-68.6	-21.7	0	0	0	111.9	R175 Q176 M177 K182 A183	R175-D179 PolarHBondContact O-N 3.34Å; Q176-D179 PolarHBondContact O-N 2.85Å; M177-D179 VanDerWaalsContact C-N 3.35Å; D179-K182 PolarHBondContact O-N 3.37Å; D179-A183 WeakPolarHBondContact O-CB 3.23Å; D179-A183 PolarHBondContact O-N 2.8Å
180	D	69.7	Low	75.4	Confident	51 Å²	51	54.9 Å²	54.9	27%	0.273	26%	0.259	S	S	.	.	H	α-helix	trans	-64.7	-43.6	175.1	-62.2	-28.4	0	0	0	112.2	Q176 M177 K182 A183 K184 K545	Q176-D180 PolarHBondContact NE2-OD1 2.99Å; Q176-D180 PolarHBondContact O-N 2.85Å; M177-D180 PolarHBondContact O-N 2.95Å; D180-K182 VanDerWaalsContact C-N 3.33Å; D180-K182 PolarHBondContact O-N 3.35Å; D180-A183 WeakPolarHBondContact O-CB 3.17Å; D180-A183 PolarHBondContact O-N 3Å; D180-K184 PolarHBondContact O-N 3.09Å; D180-K545 IonicContact OD1-NZ 2.7Å; D180-K545 PolarHBondContact OD1-NZ 3.47Å; D180-K545 WeakPolarHBondContact OD2-CD 3.29Å; D180-K545 WeakPolarHBondContact OD2-CE 3.44Å; D180-K545 IonicContact OD2-NZ 3.53Å; D180-K545 PolarHBondContact OD2-NZ 3.34Å
181	S	77	Confident	75.4	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-66.7	-36.8	179.6	-169	0	0	0	0	111.4	E144 K148 M177 L178 K184 L185	E144-S181 PolarHBondContact OE1-OG 3.04Å; K148-S181 PolarHBondContact N-OG 2.99Å; M177-S181 PolarHBondContact O-N 3.06Å; L178-S181 PolarHBondContact O-N 3.24Å; S181-K184 PolarHBondContact O-N 2.72Å; S181-L185 PolarHBondContact O-N 2.7Å
182	K	80.4	Confident	75.3	Confident	58 Å²	58	52.1 Å²	52.1	25%	0.252	25%	0.245	S	C	.	.	H	α-helix	trans	-61.7	-44.7	170.3	-72.9	173.4	-178	174.7	0	112	K148 L178 D179 D180 K184 L185 E186	K148-K182 HydrophobicContact CD-CG 4.33Å; K148-K182 HydrophobicContact CG-CG 4.3Å; L178-K182 WeakPolarHBondContact O-CG 3.15Å; L178-K182 PolarHBondContact O-N 2.98Å; L178-K182 VanDerWaalsContact O-N 3.07Å; D179-K182 PolarHBondContact O-N 3.37Å; D180-K182 VanDerWaalsContact C-N 3.33Å; D180-K182 PolarHBondContact O-N 3.35Å; K182-K184 VanDerWaalsContact C-N 3.31Å; K182-K184 PolarHBondContact O-N 3.23Å; K182-L185 WeakPolarHBondContact O-CB 3.34Å; K182-L185 PolarHBondContact O-N 2.89Å; K182-E186 PolarHBondContact O-N 2.98Å; K182-E186 VanDerWaalsContact O-N 3.09Å
183	A	70.7	Confident	75	Confident	16 Å²	16	48 Å²	48	13%	0.132	23%	0.225	C	C	.	.	H	α-helix	trans	-61.5	-40.7	178.3	0	0	0	0	0	112.1	D179 D180 E186 W187 V370	D179-A183 WeakPolarHBondContact O-CB 3.23Å; D179-A183 PolarHBondContact O-N 2.8Å; D180-A183 WeakPolarHBondContact O-CB 3.17Å; D180-A183 PolarHBondContact O-N 3Å; A183-E186 PolarHBondContact O-N 2.92Å; A183-W187 PolarHBondContact O-N 2.74Å; A183-V370 HydrophobicContact CB-CB 3.99Å; A183-V370 HydrophobicContact CB-CG1 3.63Å; A183-V370 HydrophobicContact CB-CG2 4.25Å
184	K	77.4	Confident	74.9	Confident	66 Å²	66	48.2 Å²	48.2	29%	0.287	22%	0.219	S	C	.	.	H	α-helix	trans	-68.9	-38	177.7	-173.2	170.1	168.7	-149.8	0	112.7	E140 E144 D180 S181 K182 E186 W187 L188	E140-K184 IonicContact OE1-NZ 3.19Å; E144-K184 HydrophobicContact CG-CB 4.06Å; E144-K184 HydrophobicContact CG-CD 4.07Å; E144-K184 HydrophobicContact CG-CG 3.98Å; E144-K184 WeakPolarHBondContact OE2-CD 3.37Å; E144-K184 WeakPolarHBondContact OE2-CE 3.09Å; E144-K184 IonicContact OE2-NZ 2.9Å; E144-K184 PolarHBondContact OE2-NZ 2.71Å; D180-K184 PolarHBondContact O-N 3.09Å; S181-K184 PolarHBondContact O-N 2.72Å; K182-K184 VanDerWaalsContact C-N 3.31Å; K182-K184 PolarHBondContact O-N 3.23Å; K184-E186 VanDerWaalsContact C-N 3.33Å; K184-W187 PolarHBondContact O-N 2.87Å; K184-L188 HydrophobicContact CG-CD1 4.15Å; K184-L188 WeakPolarHBondContact O-CB 3.48Å; K184-L188 VanDerWaalsContact O-CG 3.31Å; K184-L188 WeakPolarHBondContact O-CG 3.29Å; K184-L188 PolarHBondContact O-N 2.81Å
185	L	76.5	Confident	74.4	Confident	5 Å²	5	48.3 Å²	48.3	3%	0.026	22%	0.219	C	C	.	.	H	α-helix	trans	-59	-44	172.2	-83.7	167.8	0	0	0	112	L141 E144 K148 S181 K182 L188 R189	L141-L185 HydrophobicContact CD1-CD2 3.73Å; L141-L185 HydrophobicContact CG-CD2 4.35Å; E144-L185 HydrophobicContact CB-CD2 4Å; E144-L185 HydrophobicContact CB-CG 4.21Å; E144-L185 HydrophobicContact CG-CD2 4.3Å; E144-L185 HydrophobicContact CG-CG 3.95Å; K148-L185 HydrophobicContact CB-CD1 3.76Å; K148-L185 HydrophobicContact CD-CD1 3.7Å; K148-L185 HydrophobicContact CG-CD1 4.11Å; S181-L185 PolarHBondContact O-N 2.7Å; K182-L185 WeakPolarHBondContact O-CB 3.34Å; K182-L185 PolarHBondContact O-N 2.89Å; L185-L188 PolarHBondContact O-N 3.43Å; L185-R189 VanDerWaalsContact O-CG 3.32Å; L185-R189 WeakPolarHBondContact O-CG 3.43Å; L185-R189 PolarHBondContact O-N 3.01Å
186	E	71.7	Confident	73.8	Confident	87 Å²	87	46.1 Å²	46.1	41%	0.407	21%	0.214	S	C	.	.	H	α-helix	trans	-63.9	-44.7	176.6	-71.9	-56.1	126.7	0	0	112.1	K182 A183 K184 L188 R189 I190	K182-E186 PolarHBondContact O-N 2.98Å; K182-E186 VanDerWaalsContact O-N 3.09Å; A183-E186 PolarHBondContact O-N 2.92Å; K184-E186 VanDerWaalsContact C-N 3.33Å; E186-L188 VanDerWaalsContact C-N 3.34Å; E186-L188 PolarHBondContact O-N 3.03Å; E186-R189 WeakPolarHBondContact O-CB 3.45Å; E186-R189 PolarHBondContact O-N 3.16Å; E186-R189 VanDerWaalsContact O-N 3.16Å; E186-R189 IonicContact OE1-CZ 3.9Å; E186-R189 IonicContact OE1-NH1 2.71Å; E186-R189 PolarHBondContact OE1-NH1 2.91Å; E186-I190 WeakPolarHBondContact O-CG1 3.4Å; E186-I190 PolarHBondContact O-N 3.05Å
187	W	75.2	Confident	73.1	Confident	87 Å²	87	44.3 Å²	44.3	33%	0.33	21%	0.205	S	C	.	.	H	α-helix	trans	-60	-43.6	175.7	-180	80.2	0	0	0	112.5	A183 K184 R189 I190 E191 L372	A183-W187 PolarHBondContact O-N 2.74Å; K184-W187 PolarHBondContact O-N 2.87Å; W187-R189 VanDerWaalsContact C-N 3.29Å; W187-R189 PolarHBondContact O-N 2.92Å; W187-I190 PolarHBondContact O-N 3.25Å; W187-E191 HydrophobicContact CH2-CB 4.41Å; W187-E191 HydrophobicContact CH2-CG 4.26Å; W187-E191 HydrophobicContact CZ2-CB 4.32Å; W187-E191 HydrophobicContact CZ2-CG 4.33Å; W187-E191 PolarHBondContact O-N 3.23Å; W187-L372 VanDerWaalsContact CD1-CD1 3.49Å; W187-L372 HydrophobicContact CG-CD1 4.28Å
188	L	72.8	Confident	72.4	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.1	-36.7	176.9	-74.2	166	0	0	0	111.9	L137 E140 L141 E144 K184 L185 E186 L192	L137-L188 HydrophobicContact CD2-CD2 4.17Å; E140-L188 HydrophobicContact CB-CD1 4.4Å; E140-L188 HydrophobicContact CB-CD2 3.95Å; E140-L188 HydrophobicContact CG-CD1 4Å; E140-L188 HydrophobicContact CG-CD2 3.89Å; L141-L188 HydrophobicContact CB-CB 4.33Å; L141-L188 HydrophobicContact CD1-CB 3.59Å; E144-L188 HydrophobicContact CB-CD1 3.96Å; E144-L188 HydrophobicContact CG-CD1 4.44Å; K184-L188 HydrophobicContact CG-CD1 4.15Å; K184-L188 WeakPolarHBondContact O-CB 3.48Å; K184-L188 VanDerWaalsContact O-CG 3.31Å; K184-L188 WeakPolarHBondContact O-CG 3.29Å; K184-L188 PolarHBondContact O-N 2.81Å; L185-L188 PolarHBondContact O-N 3.43Å; E186-L188 VanDerWaalsContact C-N 3.34Å; E186-L188 PolarHBondContact O-N 3.03Å; L188-L192 VanDerWaalsContact O-CB 3.24Å; L188-L192 WeakPolarHBondContact O-CB 3.49Å; L188-L192 PolarHBondContact O-N 3.43Å
189	R	77.2	Confident	71.4	Confident	113 Å²	113	47.9 Å²	47.9	43%	0.426	22%	0.223	S	C	.	.	H	α-helix	trans	-65.4	-43.7	173.5	-72	169	177.5	164.6	-4	111.7	L141 L185 E186 W187 L192 A193	L141-R189 HydrophobicContact CD1-CG 3.73Å; L141-R189 HydrophobicContact CD2-CG 4.39Å; L185-R189 VanDerWaalsContact O-CG 3.32Å; L185-R189 WeakPolarHBondContact O-CG 3.43Å; L185-R189 PolarHBondContact O-N 3.01Å; E186-R189 WeakPolarHBondContact O-CB 3.45Å; E186-R189 PolarHBondContact O-N 3.16Å; E186-R189 VanDerWaalsContact O-N 3.16Å; E186-R189 IonicContact OE1-CZ 3.9Å; E186-R189 IonicContact OE1-NH1 2.71Å; E186-R189 PolarHBondContact OE1-NH1 2.91Å; W187-R189 VanDerWaalsContact C-N 3.29Å; W187-R189 PolarHBondContact O-N 2.92Å; R189-L192 PolarHBondContact O-N 3.4Å; R189-A193 WeakPolarHBondContact O-CB 3.39Å; R189-A193 PolarHBondContact O-N 3.16Å
190	I	66.6	Low	70.3	Confident	78 Å²	78	47.7 Å²	47.7	40%	0.4	23%	0.227	S	C	.	.	H	α-helix	trans	-62.4	-49.5	178	-67.1	165.4	0	0	0	111	E186 W187 L192 A193 R194 I222	E186-I190 WeakPolarHBondContact O-CG1 3.4Å; E186-I190 PolarHBondContact O-N 3.05Å; W187-I190 PolarHBondContact O-N 3.25Å; I190-L192 VanDerWaalsContact C-N 3.34Å; I190-L192 PolarHBondContact O-N 2.93Å; I190-A193 PolarHBondContact O-N 2.78Å; I190-R194 WeakPolarHBondContact O-CB 3.48Å; I190-R194 PolarHBondContact O-N 2.87Å; I190-I222 HydrophobicContact CB-CD1 4.25Å; I190-I222 HydrophobicContact CG1-CD1 3.92Å; I190-I222 HydrophobicContact CG2-CD1 4.47Å
191	E	68.6	Low	69.5	Low	16 Å²	16	50.1 Å²	50.1	8%	0.075	24%	0.24	C	C	.	.	H	α-helix	trans	-66.6	-36.7	-179.5	-178.1	59.2	-167.1	0	0	111.6	K133 L137 W187 R194 V195	K133-E191 WeakPolarHBondContact CE-OE1 3.28Å; K133-E191 IonicContact NZ-OE1 3.43Å; K133-E191 PolarHBondContact NZ-OE1 2.99Å; L137-E191 HydrophobicContact CD1-CB 4.45Å; L137-E191 HydrophobicContact CD1-CG 3.69Å; L137-E191 HydrophobicContact CD2-CB 4.21Å; L137-E191 HydrophobicContact CD2-CG 3.64Å; L137-E191 HydrophobicContact CG-CG 4.33Å; W187-E191 HydrophobicContact CH2-CB 4.41Å; W187-E191 HydrophobicContact CH2-CG 4.26Å; W187-E191 HydrophobicContact CZ2-CB 4.32Å; W187-E191 HydrophobicContact CZ2-CG 4.33Å; W187-E191 PolarHBondContact O-N 3.23Å; E191-R194 PolarHBondContact O-N 2.91Å; E191-R194 IonicContact OE1-CZ 3.16Å; E191-R194 IonicContact OE1-NE 3.54Å; E191-R194 IonicContact OE1-NH2 3.56Å; E191-R194 PolarHBondContact OE1-NH2 3.43Å; E191-R194 IonicContact OE2-CZ 3.06Å; E191-R194 IonicContact OE2-NE 3.53Å; E191-R194 PolarHBondContact OE2-NE 3.13Å; E191-R194 IonicContact OE2-NH2 2.9Å; E191-V195 VanDerWaalsContact O-CG2 3.3Å; E191-V195 WeakPolarHBondContact O-CG2 3.32Å; E191-V195 PolarHBondContact O-N 2.65Å
192	L	73.6	Confident	68	Low	24 Å²	24	53.9 Å²	53.9	13%	0.126	26%	0.259	C	S	.	.	H	α-helix	trans	-61.8	-47.8	174.3	-172.5	71	0	0	0	111.3	V134 L137 L188 R189 I190 R194 V195 Q196	V134-L192 HydrophobicContact CB-CD1 4.47Å; V134-L192 HydrophobicContact CG1-CD1 3.95Å; L137-L192 HydrophobicContact CB-CD1 3.83Å; L188-L192 VanDerWaalsContact O-CB 3.24Å; L188-L192 WeakPolarHBondContact O-CB 3.49Å; L188-L192 PolarHBondContact O-N 3.43Å; R189-L192 PolarHBondContact O-N 3.4Å; I190-L192 VanDerWaalsContact C-N 3.34Å; I190-L192 PolarHBondContact O-N 2.93Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 2.98Å; L192-V195 PolarHBondContact O-N 3.44Å; L192-Q196 WeakPolarHBondContact O-CB 3.35Å; L192-Q196 VanDerWaalsContact O-CG 3.29Å; L192-Q196 WeakPolarHBondContact O-CG 3.32Å; L192-Q196 PolarHBondContact O-N 3.28Å
193	A	68	Low	66.2	Low	7 Å²	7	58 Å²	58	6%	0.058	28%	0.283	C	S	.	.	H	α-helix	trans	-66.2	-36	179.2	0	0	0	0	0	112.4	R189 I190 Q196 Q197 I222	R189-A193 WeakPolarHBondContact O-CB 3.39Å; R189-A193 PolarHBondContact O-N 3.16Å; I190-A193 PolarHBondContact O-N 2.78Å; A193-Q196 PolarHBondContact O-N 3.06Å; A193-Q197 PolarHBondContact O-N 2.9Å; A193-I222 HydrophobicContact CB-CB 4.01Å; A193-I222 HydrophobicContact CB-CD1 3.72Å; A193-I222 HydrophobicContact CB-CG1 3.43Å; A193-I222 VanDerWaalsContact CB-CG1 3.43Å; A193-I222 HydrophobicContact CB-CG2 4.08Å
194	R	70.9	Confident	64.5	Low	62 Å²	62	60.6 Å²	60.6	23%	0.234	30%	0.3	C	S	.	.	H	α-helix	trans	-61.4	-46.4	173.6	-167.6	-166.4	70.6	74.9	4.6	111.7	I190 E191 L192 Q196 Q197 L198	I190-R194 WeakPolarHBondContact O-CB 3.48Å; I190-R194 PolarHBondContact O-N 2.87Å; E191-R194 PolarHBondContact O-N 2.91Å; E191-R194 IonicContact OE1-CZ 3.16Å; E191-R194 IonicContact OE1-NE 3.54Å; E191-R194 IonicContact OE1-NH2 3.56Å; E191-R194 PolarHBondContact OE1-NH2 3.43Å; E191-R194 IonicContact OE2-CZ 3.06Å; E191-R194 IonicContact OE2-NE 3.53Å; E191-R194 PolarHBondContact OE2-NE 3.13Å; E191-R194 IonicContact OE2-NH2 2.9Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 2.98Å; R194-Q196 VanDerWaalsContact C-N 3.33Å; R194-Q197 WeakPolarHBondContact O-CB 3.4Å; R194-Q197 PolarHBondContact O-N 3.34Å; R194-L198 PolarHBondContact O-N 3.08Å; R194-L198 VanDerWaalsContact O-N 3.13Å
195	V	66.8	Low	62.2	Low	3 Å²	3	63.3 Å²	63.3	2%	0.018	33%	0.328	C	S	.	.	H	α-helix	trans	-67.9	-34.5	178	179.1	0	0	0	0	111.2	I130 K133 V134 L137 E191 L192 Q197 L198 Q199	I130-V195 HydrophobicContact CG2-CG1 3.78Å; K133-V195 HydrophobicContact CB-CG1 4.34Å; K133-V195 HydrophobicContact CD-CG2 4.11Å; K133-V195 HydrophobicContact CG-CG1 4.46Å; K133-V195 HydrophobicContact CG-CG2 4.22Å; V134-V195 HydrophobicContact CG2-CB 4.25Å; V134-V195 HydrophobicContact CG2-CG1 3.51Å; L137-V195 HydrophobicContact CD1-CB 4.41Å; L137-V195 HydrophobicContact CD1-CG2 3.89Å; E191-V195 VanDerWaalsContact O-CG2 3.3Å; E191-V195 WeakPolarHBondContact O-CG2 3.32Å; E191-V195 PolarHBondContact O-N 2.65Å; L192-V195 PolarHBondContact O-N 3.44Å; V195-Q197 VanDerWaalsContact C-N 3.34Å; V195-L198 PolarHBondContact O-N 3.29Å; V195-Q199 PolarHBondContact O-N 3.29Å
196	Q	72.3	Confident	59.8	Low	72 Å²	72	67.6 Å²	67.6	34%	0.336	36%	0.358	S	S	.	.	H	α-helix	trans	-67.2	-32.1	172.2	-73.5	173.3	-30.6	0	0	112.7	V134 L192 A193 R194 Q199 S200	V134-Q196 HydrophobicContact CG2-CG 4.44Å; L192-Q196 WeakPolarHBondContact O-CB 3.35Å; L192-Q196 VanDerWaalsContact O-CG 3.29Å; L192-Q196 WeakPolarHBondContact O-CG 3.32Å; L192-Q196 PolarHBondContact O-N 3.28Å; A193-Q196 PolarHBondContact O-N 3.06Å; R194-Q196 VanDerWaalsContact C-N 3.33Å; Q196-Q199 WeakPolarHBondContact O-CA 3.21Å; Q196-Q199 WeakPolarHBondContact O-CB 3.4Å; Q196-Q199 PolarHBondContact O-N 3.08Å; Q196-S200 PolarHBondContact O-N 2.93Å
197	Q	61.2	Low	58	Low	50 Å²	50	72 Å²	72	23%	0.234	38%	0.384	C	S	.	.	H	α-helix	trans	-69.3	-36.9	173.8	-169.5	179.8	7.3	0	0	112.1	A193 R194 V195 Q199 S200 L201 P221	A193-Q197 PolarHBondContact O-N 2.9Å; R194-Q197 WeakPolarHBondContact O-CB 3.4Å; R194-Q197 PolarHBondContact O-N 3.34Å; V195-Q197 VanDerWaalsContact C-N 3.34Å; Q197-Q199 PolarHBondContact O-N 3.31Å; Q197-S200 PolarHBondContact O-N 3.48Å; Q197-S200 VanDerWaalsContact O-N 3.1Å; Q197-S200 PolarHBondContact O-OG 3.32Å; Q197-L201 HydrophobicContact CG-CD1 4.21Å; Q197-L201 HydrophobicContact CG-CG 4.5Å; Q197-L201 WeakPolarHBondContact O-CG 3.43Å; Q197-L201 PolarHBondContact O-N 3.06Å; Q197-P221 HydrophobicContact CG-CG 4.33Å
198	L	62.3	Low	55.6	Low	67 Å²	67	77.3 Å²	77.3	35%	0.351	41%	0.412	S	S	.	.	H	α-helix	trans	-60.7	-33.1	170.1	-68.8	173.7	0	0	0	111.5	I130 R194 V195 N202	I130-L198 HydrophobicContact CD1-CB 4.48Å; R194-L198 PolarHBondContact O-N 3.08Å; R194-L198 VanDerWaalsContact O-N 3.13Å; V195-L198 PolarHBondContact O-N 3.29Å; L198-N202 PolarHBondContact O-N 2.84Å
199	Q	62.2	Low	53.4	Low	75 Å²	75	80.8 Å²	80.8	35%	0.35	45%	0.448	S	S	.	.	H	α-helix	trans	-68.1	-36	173.5	-164.8	179.5	0.2	0	0	112.6	I130 V195 Q196 Q197	I130-Q199 HydrophobicContact CG2-CB 4.11Å; V195-Q199 PolarHBondContact O-N 3.29Å; Q196-Q199 WeakPolarHBondContact O-CA 3.21Å; Q196-Q199 WeakPolarHBondContact O-CB 3.4Å; Q196-Q199 PolarHBondContact O-N 3.08Å; Q197-Q199 PolarHBondContact O-N 3.31Å
200	S	56.1	Low	51.2	Low	62 Å²	62	86.6 Å²	86.6	43%	0.434	47%	0.47	S	S	.	.	H	α-helix	trans	-78	-33.5	177.8	67.3	0	0	0	0	113	Q196 Q197 L203 S204	Q196-S200 PolarHBondContact O-N 2.93Å; Q197-S200 PolarHBondContact O-N 3.48Å; Q197-S200 VanDerWaalsContact O-N 3.1Å; Q197-S200 PolarHBondContact O-OG 3.32Å; S200-L203 WeakPolarHBondContact O-CB 3.3Å; S200-L203 PolarHBondContact O-N 3.41Å; S200-S204 PolarHBondContact O-N 3.44Å; S200-S204 PolarHBondContact O-OG 2.78Å
201	L	53.1	Low	49.3	Very low	102 Å²	102	92.8 Å²	92.8	53%	0.534	50%	0.497	S	S	.	.	H	α-helix	trans	-68.7	-32.7	176.7	-70.6	168.2	0	0	0	112.3	Q197 L203 S204	Q197-L201 HydrophobicContact CG-CD1 4.21Å; Q197-L201 HydrophobicContact CG-CG 4.5Å; Q197-L201 WeakPolarHBondContact O-CG 3.43Å; Q197-L201 PolarHBondContact O-N 3.06Å; L201-L203 PolarHBondContact O-N 3.16Å; L201-S204 PolarHBondContact O-N 3.34Å
202	N	44.8	Very low	47.5	Very low	82 Å²	82	97.1 Å²	97.1	44%	0.439	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-8.6	169.1	-84.8	-2.8	0	0	0	113.7	L198	L198-N202 PolarHBondContact O-N 2.84Å
203	L	41.9	Very low	45.6	Very low	144 Å²	144	100.7 Å²	100.7	75%	0.754	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	-7.7	179.3	-115.1	79.3	0	0	0	114	S200 L201	S200-L203 WeakPolarHBondContact O-CB 3.3Å; S200-L203 PolarHBondContact O-N 3.41Å; L201-L203 PolarHBondContact O-N 3.16Å
204	S	36.1	Very low	44.3	Very low	70 Å²	70	105 Å²	105	49%	0.49	58%	0.578	S	S	.	*			trans	-123.6	46.3	-167.7	65.6	0	0	0	0	114.2	S200 L201 S206	S200-S204 PolarHBondContact O-N 3.44Å; S200-S204 PolarHBondContact O-OG 2.78Å; L201-S204 PolarHBondContact O-N 3.34Å; S204-S206 PolarHBondContact O-N 3.32Å; S204-S206 VanDerWaalsContact O-N 3.13Å
205	S	28.9	Very low	42.7	Very low	124 Å²	124	106.1 Å²	106.1	87%	0.867	59%	0.585	S	S	*	*			trans	-77.7	28.6	173.3	52.2	0	0	0	0	114.5
206	S	26.7	Very low	41.4	Very low	95 Å²	95	108.9 Å²	108.9	66%	0.664	60%	0.6	S	S	*	*			trans	-152.5	94.8	174.7	66.5	0	0	0	0	111.7	S204	S204-S206 PolarHBondContact O-N 3.32Å; S204-S206 VanDerWaalsContact O-N 3.13Å
207	L	32.3	Very low	39.8	Very low	180 Å²	180	108.9 Å²	108.9	94%	0.942	60%	0.601	S	S	*	*			trans	165	104.5	147.9	-88.6	148.9	0	0	0	109.8
208	E	25.9	Very low	38.8	Very low	197 Å²	197	111.7 Å²	111.7	92%	0.921	61%	0.613	S	S	*	*			trans	-68.9	152.3	174	-65.3	174.3	145.4	0	0	112.8
209	G	26.5	Very low	37.9	Very low	73 Å²	73	112.3 Å²	112.3	75%	0.753	62%	0.616	S	S	*	*			trans	102	77.2	148.8	0	0	0	0	0	118
210	R	30.5	Very low	36.6	Very low	236 Å²	236	113.2 Å²	113.2	89%	0.891	62%	0.62	S	S	*	*			trans	-164.9	121.4	145.3	-110.5	165.9	-172.4	-174.9	2	111.5	V212	R210-V212 PolarHBondContact O-N 2.97Å
211	Q	27.6	Very low	35.6	Very low	207 Å²	207	112.1 Å²	112.1	97%	0.967	61%	0.611	S	S	*	*			trans	-60.5	119	169.9	-87.6	171.5	-11.7	0	0	109.9
212	V	30.9	Very low	35	Very low	107 Å²	107	109.7 Å²	109.7	65%	0.648	60%	0.598	S	S	*	*			trans	-127.8	132.3	175.7	-179.8	0	0	0	0	108.8	R210	R210-V212 PolarHBondContact O-N 2.97Å
213	C	33.4	Very low	34.6	Very low	99 Å²	99	108.4 Å²	108.4	67%	0.669	59%	0.591	S	S	*	*			trans	-62.3	134	-176.3	-71	0	0	0	0	112.9	H215	C213-H215 VanDerWaalsContact C-N 3.34Å; C213-H215 PolarHBondContact O-N 3.41Å
214	P	39.2	Very low	34.4	Very low	99 Å²	99	107.2 Å²	107.2	64%	0.643	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-72	-15.1	-172.2	-18	30.9	0	0	0	116.5	L216 I217	P214-L216 VanDerWaalsContact C-N 3.26Å; P214-L216 PolarHBondContact O-N 3.06Å; P214-I217 HydrophobicContact CB-CD1 4.41Å
215	H	39.2	Very low	34.6	Very low	84 Å²	84	108.2 Å²	108.2	39%	0.389	59%	0.591	S	S	.	*	G	3₁₀ helix	trans	-76.8	-8.1	-176.8	-91.9	53.3	0	0	0	114.4	C213	C213-H215 VanDerWaalsContact C-N 3.34Å; C213-H215 PolarHBondContact O-N 3.41Å
216	L	38.9	Very low	34.9	Very low	61 Å²	61	105 Å²	105	32%	0.319	57%	0.573	S	S	.	*	G	3₁₀ helix	trans	-117	0.6	-177.7	-103.7	81.2	0	0	0	115	P214 F218 I219 D233	P214-L216 VanDerWaalsContact C-N 3.26Å; P214-L216 PolarHBondContact O-N 3.06Å; L216-F218 PolarHBondContact O-N 3.49Å; L216-F218 VanDerWaalsContact O-N 3.14Å; L216-I219 PolarHBondContact O-N 2.86Å; L216-D233 HydrophobicContact CD2-CB 3.26Å; L216-D233 WeakPolarHBondContact CD2-OD1 3.42Å; L216-D233 VanDerWaalsContact CD2-OD2 3.27Å; L216-D233 WeakPolarHBondContact CD2-OD2 3.31Å
217	I	39	Very low	35	Very low	72 Å²	72	104.4 Å²	104.4	37%	0.369	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.5	-17.6	-174.1	-62.4	-179.1	0	0	0	112.6	P214	P214-I217 HydrophobicContact CB-CD1 4.41Å
218	F	39.4	Very low	35.1	Very low	110 Å²	110	101.4 Å²	101.4	48%	0.482	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.7	-6.2	-178.4	-77.4	-85.2	0	0	0	115.6	L216	L216-F218 PolarHBondContact O-N 3.49Å; L216-F218 VanDerWaalsContact O-N 3.14Å
219	I	42.9	Very low	35.3	Very low	79 Å²	79	97.7 Å²	97.7	41%	0.405	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.9	-26.5	-179.1	-56.7	-179.9	0	0	0	111	L216 I223 V236	L216-I219 PolarHBondContact O-N 2.86Å; I219-I223 HydrophobicContact CG2-CD1 4.18Å; I219-V236 HydrophobicContact CD1-CG1 4.24Å
220	H	36.2	Very low	35.7	Very low	95 Å²	95	98.3 Å²	98.3	44%	0.44	55%	0.546	S	S	.	.	H	α-helix	trans	-80.6	-25	-164.2	-151.9	-94.8	0	0	0	116.9
221	P	34.6	Very low	36.7	Very low	39 Å²	39	88.7 Å²	88.7	25%	0.253	52%	0.517	S	S	.	.	H	α-helix	trans	-86.2	-20.5	178.3	-8.6	25.3	0	0	0	115.2	Q197	Q197-P221 HydrophobicContact CG-CG 4.33Å
222	I	39.9	Very low	38.4	Very low	50 Å²	50	81.1 Å²	81.1	26%	0.256	49%	0.487	S	S	.	.	H	α-helix	trans	-76.7	-27.2	-173.2	-42.1	-157.6	0	0	0	112.1	I190 A193	I190-I222 HydrophobicContact CB-CD1 4.25Å; I190-I222 HydrophobicContact CG1-CD1 3.92Å; I190-I222 HydrophobicContact CG2-CD1 4.47Å; A193-I222 HydrophobicContact CB-CB 4.01Å; A193-I222 HydrophobicContact CB-CD1 3.72Å; A193-I222 HydrophobicContact CB-CG1 3.43Å; A193-I222 VanDerWaalsContact CB-CG1 3.43Å; A193-I222 HydrophobicContact CB-CG2 4.08Å
223	I	37.5	Very low	39.8	Very low	55 Å²	55	80.2 Å²	80.2	28%	0.282	48%	0.479	S	S	.	.	H	α-helix	trans	-87.5	-26.7	-173.8	-54.4	-178	0	0	0	111.1	I219 S225 A226 L230	I219-I223 HydrophobicContact CG2-CD1 4.18Å; I223-S225 VanDerWaalsContact C-N 3.33Å; I223-S225 PolarHBondContact O-N 2.82Å; I223-A226 PolarHBondContact O-N 2.82Å; I223-L230 HydrophobicContact CB-CD1 4.26Å; I223-L230 HydrophobicContact CB-CG 4.49Å; I223-L230 HydrophobicContact CG2-CD1 3.55Å; I223-L230 HydrophobicContact CG2-CG 3.84Å
224	L	37.7	Very low	41.8	Very low	120 Å²	120	77 Å²	77	63%	0.628	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-19.1	-178.3	-89.2	154.4	0	0	0	114.4
225	S	38.8	Very low	43.3	Very low	90 Å²	90	74.1 Å²	74.1	63%	0.629	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-5.8	179.3	70.9	0	0	0	0	114.6	I223	I223-S225 VanDerWaalsContact C-N 3.33Å; I223-S225 PolarHBondContact O-N 2.82Å
226	A	35.8	Very low	44.7	Very low	58 Å²	58	71.7 Å²	71.7	48%	0.479	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110	-1.8	-170.7	0	0	0	0	0	115.1	I223 I228	I223-A226 PolarHBondContact O-N 2.82Å; A226-I228 HydrophobicContact CB-CD1 3.96Å; A226-I228 HydrophobicContact CB-CG1 4.07Å; A226-I228 PolarHBondContact O-N 3.42Å; A226-I228 VanDerWaalsContact O-N 3.16Å
227	G	28.8	Very low	46.7	Very low	82 Å²	82	71.1 Å²	71.1	85%	0.845	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	20.1	179.5	0	0	0	0	0	114.4
228	I	33.3	Very low	48.7	Very low	116 Å²	116	67.7 Å²	67.7	60%	0.595	41%	0.405	S	S	*	.			trans	-93.3	125	178.5	-58.8	172.3	0	0	0	107.6	A226 L230	A226-I228 HydrophobicContact CB-CD1 3.96Å; A226-I228 HydrophobicContact CB-CG1 4.07Å; A226-I228 PolarHBondContact O-N 3.42Å; A226-I228 VanDerWaalsContact O-N 3.16Å; I228-L230 PolarHBondContact O-N 3.44Å; I228-L230 VanDerWaalsContact O-N 3.13Å
229	S	30.3	Very low	50.5	Low	119 Å²	119	65.2 Å²	65.2	83%	0.832	40%	0.397	S	S	*	.			trans	-47.3	116.1	178.6	-175.2	0	0	0	0	111.5	A231	S229-A231 PolarHBondContact O-N 2.73Å
230	L	35.3	Very low	52.2	Low	86 Å²	86	64 Å²	64	45%	0.45	39%	0.389	S	S	.	.			trans	-60.9	113.8	-179.8	-100.7	81.8	0	0	0	110.4	I223 I228	I223-L230 HydrophobicContact CB-CD1 4.26Å; I223-L230 HydrophobicContact CB-CG 4.49Å; I223-L230 HydrophobicContact CG2-CD1 3.55Å; I223-L230 HydrophobicContact CG2-CG 3.84Å; I228-L230 PolarHBondContact O-N 3.44Å; I228-L230 VanDerWaalsContact O-N 3.13Å
231	A	51.9	Low	54.6	Low	34 Å²	34	59.6 Å²	59.6	28%	0.281	37%	0.369	S	S	.	.			trans	-65	137.6	157	0	0	0	0	0	108.3	S229 E235	S229-A231 PolarHBondContact O-N 2.73Å; A231-E235 WeakPolarHBondContact CA-OE2 3.31Å; A231-E235 HydrophobicContact CB-CB 3.97Å; A231-E235 VanDerWaalsContact CB-OE2 3.27Å; A231-E235 WeakPolarHBondContact CB-OE2 3.34Å
232	S	63.2	Low	56.8	Low	48 Å²	48	58.1 Å²	58.1	34%	0.336	36%	0.359	S	S	.	.			trans	-66.6	158.5	178.5	75.1	0	0	0	0	111.6	V234 E235 V236	S232-V234 PolarHBondContact O-N 3.13Å; S232-V234 VanDerWaalsContact O-N 3.09Å; S232-E235 WeakPolarHBondContact O-CA 3.43Å; S232-E235 VanDerWaalsContact O-CB 3.3Å; S232-E235 WeakPolarHBondContact O-CB 3.49Å; S232-E235 PolarHBondContact O-N 3.24Å; S232-E235 WeakPolarHBondContact OG-CG 3.49Å; S232-E235 PolarHBondContact OG-N 3Å; S232-V236 PolarHBondContact O-N 2.92Å
233	D	60.3	Low	58.6	Low	89 Å²	89	59.1 Å²	59.1	48%	0.476	36%	0.364	S	S	.	.	H	α-helix	trans	-47.3	-39.3	173.6	-67.7	-4.9	0	0	0	112.8	L216 L237	L216-D233 HydrophobicContact CD2-CB 3.26Å; L216-D233 WeakPolarHBondContact CD2-OD1 3.42Å; L216-D233 VanDerWaalsContact CD2-OD2 3.27Å; L216-D233 WeakPolarHBondContact CD2-OD2 3.31Å; D233-L237 PolarHBondContact O-N 3.32Å
234	V	75.9	Confident	60.8	Low	31 Å²	31	57.6 Å²	57.6	19%	0.188	36%	0.355	C	S	.	.	H	α-helix	trans	-68.5	-38.9	176.4	-177.7	0	0	0	0	111.4	S232 V236 L237 V238 H315 Q318 L319	S232-V234 PolarHBondContact O-N 3.13Å; S232-V234 VanDerWaalsContact O-N 3.09Å; V234-V236 VanDerWaalsContact C-N 3.33Å; V234-V236 PolarHBondContact O-N 3.21Å; V234-L237 PolarHBondContact O-N 2.94Å; V234-V238 HydrophobicContact CG1-CG2 4.32Å; V234-V238 WeakPolarHBondContact O-CB 3.44Å; V234-V238 VanDerWaalsContact O-CG2 3.26Å; V234-V238 WeakPolarHBondContact O-CG2 3.27Å; V234-V238 PolarHBondContact O-N 3.37Å; V234-H315 HydrophobicContact CG1-CB 4.38Å; V234-H315 WeakPolarHBondContact CG1-O 3.19Å; V234-Q318 HydrophobicContact CG1-CB 3.85Å; V234-Q318 HydrophobicContact CG2-CB 4.18Å; V234-L319 HydrophobicContact CB-CD2 4.29Å; V234-L319 HydrophobicContact CG1-CD2 3.76Å; V234-L319 HydrophobicContact CG1-CG 4.08Å
235	E	71.3	Confident	63.1	Low	38 Å²	38	51.9 Å²	51.9	18%	0.178	33%	0.325	C	S	.	.	H	α-helix	trans	-65.6	-33.7	179.6	-80.6	-167.3	164.9	0	0	113.2	A231 S232 D239 L319 S323 K325	A231-E235 WeakPolarHBondContact CA-OE2 3.31Å; A231-E235 HydrophobicContact CB-CB 3.97Å; A231-E235 VanDerWaalsContact CB-OE2 3.27Å; A231-E235 WeakPolarHBondContact CB-OE2 3.34Å; S232-E235 WeakPolarHBondContact O-CA 3.43Å; S232-E235 VanDerWaalsContact O-CB 3.3Å; S232-E235 WeakPolarHBondContact O-CB 3.49Å; S232-E235 PolarHBondContact O-N 3.24Å; S232-E235 WeakPolarHBondContact OG-CG 3.49Å; S232-E235 PolarHBondContact OG-N 3Å; E235-D239 PolarHBondContact O-N 3.29Å; E235-L319 HydrophobicContact CB-CD2 4.37Å; E235-L319 HydrophobicContact CG-CD2 3.44Å; E235-L319 VanDerWaalsContact CG-CD2 3.44Å; E235-S323 PolarHBondContact OE1-OG 3.31Å; E235-K325 HydrophobicContact CB-CD 4.14Å; E235-K325 HydrophobicContact CG-CD 3.92Å; E235-K325 PolarHBondContact O-NZ 2.83Å
236	V	68	Low	65.1	Low	34 Å²	34	53.7 Å²	53.7	21%	0.206	32%	0.318	C	S	.	.	H	α-helix	trans	-70.6	-44.6	174.8	177.4	0	0	0	0	110.7	I219 S232 V234 V238 D239 E240	I219-V236 HydrophobicContact CD1-CG1 4.24Å; S232-V236 PolarHBondContact O-N 2.92Å; V234-V236 VanDerWaalsContact C-N 3.33Å; V234-V236 PolarHBondContact O-N 3.21Å; V236-V238 VanDerWaalsContact C-N 3.34Å; V236-V238 PolarHBondContact O-N 3.36Å; V236-D239 PolarHBondContact O-N 2.85Å; V236-E240 PolarHBondContact O-N 3.22Å
237	L	79.8	Confident	67.3	Low	49 Å²	49	56.1 Å²	56.1	26%	0.257	32%	0.318	S	S	.	.	H	α-helix	trans	-61.4	-42.1	177.1	-178.7	60.9	0	0	0	111.9	D233 V234 E240 L241 H315	D233-L237 PolarHBondContact O-N 3.32Å; V234-L237 PolarHBondContact O-N 2.94Å; L237-E240 PolarHBondContact O-N 2.98Å; L237-L241 HydrophobicContact CD1-CD1 4.43Å; L237-L241 HydrophobicContact CD1-CG 4.43Å; L237-L241 HydrophobicContact CG-CD1 4.2Å; L237-L241 WeakPolarHBondContact O-CB 3.05Å; L237-L241 WeakPolarHBondContact O-CG 3.39Å; L237-L241 PolarHBondContact O-N 3.17Å; L237-H315 WeakPolarHBondContact CD2-CE1 3.19Å; L237-H315 WeakPolarHBondContact CD2-NE2 2.85Å
238	V	81.8	Confident	70	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.8	-42.4	176.4	168.8	0	0	0	0	111.6	V234 V236 E240 L241 L242 L312 H315 L319 V329	V234-V238 HydrophobicContact CG1-CG2 4.32Å; V234-V238 WeakPolarHBondContact O-CB 3.44Å; V234-V238 VanDerWaalsContact O-CG2 3.26Å; V234-V238 WeakPolarHBondContact O-CG2 3.27Å; V234-V238 PolarHBondContact O-N 3.37Å; V236-V238 VanDerWaalsContact C-N 3.34Å; V236-V238 PolarHBondContact O-N 3.36Å; V238-E240 VanDerWaalsContact C-N 3.31Å; V238-E240 PolarHBondContact O-N 2.85Å; V238-L241 PolarHBondContact O-N 3.12Å; V238-L242 HydrophobicContact CG1-CD1 4.04Å; V238-L242 HydrophobicContact CG1-CG 4.4Å; V238-L242 WeakPolarHBondContact O-CB 3.49Å; V238-L242 VanDerWaalsContact O-CG 3.31Å; V238-L242 WeakPolarHBondContact O-CG 3.17Å; V238-L242 PolarHBondContact O-N 3.29Å; V238-L312 HydrophobicContact CG1-CD2 4.42Å; V238-H315 HydrophobicContact CG2-CB 3.84Å; V238-L319 HydrophobicContact CG1-CD1 4.32Å; V238-L319 HydrophobicContact CG2-CD1 4.1Å; V238-L319 HydrophobicContact CG2-CD2 4.47Å; V238-L319 HydrophobicContact CG2-CG 4.33Å; V238-V329 HydrophobicContact CG1-CG2 3.66Å
239	D	76.6	Confident	72.4	Confident	58 Å²	58	48.4 Å²	48.4	31%	0.31	26%	0.262	S	S	.	.	H	α-helix	trans	-63.5	-39.3	176.1	-74.7	-15.5	0	0	0	111.7	E235 V236 L243 K325	E235-D239 PolarHBondContact O-N 3.29Å; V236-D239 PolarHBondContact O-N 2.85Å; D239-L243 PolarHBondContact O-N 3.21Å; D239-K325 WeakPolarHBondContact OD1-CE 3.44Å; D239-K325 IonicContact OD1-NZ 3.37Å; D239-K325 PolarHBondContact OD1-NZ 3.24Å; D239-K325 VanDerWaalsContact OD1-NZ 3.08Å; D239-K325 WeakPolarHBondContact OD2-CE 3.44Å; D239-K325 IonicContact OD2-NZ 3.56Å; D239-K325 PolarHBondContact OD2-NZ 3.17Å
240	E	78.4	Confident	74.6	Confident	54 Å²	54	46 Å²	46	25%	0.252	25%	0.249	S	C	.	.	H	α-helix	trans	-66	-44.7	177.7	-161.7	179.3	160.7	0	0	111.7	V236 L237 V238 L243 R244	V236-E240 PolarHBondContact O-N 3.22Å; L237-E240 PolarHBondContact O-N 2.98Å; V238-E240 VanDerWaalsContact C-N 3.31Å; V238-E240 PolarHBondContact O-N 2.85Å; E240-L243 WeakPolarHBondContact O-CB 3.42Å; E240-L243 PolarHBondContact O-N 3.18Å; E240-R244 VanDerWaalsContact CD-NH1 3.28Å; E240-R244 VanDerWaalsContact CG-NH1 3.29Å; E240-R244 WeakPolarHBondContact O-CG 3.35Å; E240-R244 PolarHBondContact O-N 2.98Å; E240-R244 IonicContact OE1-CZ 3.57Å; E240-R244 IonicContact OE1-NH1 3.1Å; E240-R244 PolarHBondContact OE1-NH1 3.27Å; E240-R244 IonicContact OE1-NH2 3.5Å; E240-R244 PolarHBondContact OE1-NH2 3.48Å
241	L	86.2	Confident	76.7	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-65.1	-40.1	175.8	-73.9	172.8	0	0	0	112.3	L237 V238 L243 R244 L245 A311 L312 F505 E526	L237-L241 HydrophobicContact CD1-CD1 4.43Å; L237-L241 HydrophobicContact CD1-CG 4.43Å; L237-L241 HydrophobicContact CG-CD1 4.2Å; L237-L241 WeakPolarHBondContact O-CB 3.05Å; L237-L241 WeakPolarHBondContact O-CG 3.39Å; L237-L241 PolarHBondContact O-N 3.17Å; V238-L241 PolarHBondContact O-N 3.12Å; L241-L243 VanDerWaalsContact C-N 3.33Å; L241-L243 PolarHBondContact O-N 3.32Å; L241-R244 PolarHBondContact O-N 3.2Å; L241-R244 VanDerWaalsContact O-N 3.16Å; L241-L245 PolarHBondContact O-N 3.1Å; L241-A311 HydrophobicContact CD1-CB 3.9Å; L241-A311 HydrophobicContact CD2-CB 4.19Å; L241-L312 HydrophobicContact CB-CD2 3.45Å; L241-L312 VanDerWaalsContact CB-CD2 3.45Å; L241-L312 HydrophobicContact CB-CG 3.9Å; L241-L312 HydrophobicContact CD1-CD2 4.31Å; L241-F505 HydrophobicContact CD2-CZ 4.27Å; L241-E526 HydrophobicContact CD2-CG 4.37Å
242	L	82.3	Confident	78.4	Confident	8 Å²	8	46.1 Å²	46.1	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-62.4	-40.3	174.7	-78.1	173.6	0	0	0	111.9	V238 R244 L245 R246 L312 C328 V329 D332	V238-L242 HydrophobicContact CG1-CD1 4.04Å; V238-L242 HydrophobicContact CG1-CG 4.4Å; V238-L242 WeakPolarHBondContact O-CB 3.49Å; V238-L242 VanDerWaalsContact O-CG 3.31Å; V238-L242 WeakPolarHBondContact O-CG 3.17Å; V238-L242 PolarHBondContact O-N 3.29Å; L242-R244 VanDerWaalsContact C-N 3.3Å; L242-R244 PolarHBondContact O-N 2.9Å; L242-L245 PolarHBondContact O-N 3.3Å; L242-R246 WeakPolarHBondContact O-CG 3.4Å; L242-R246 PolarHBondContact O-N 3.26Å; L242-L312 HydrophobicContact CD2-CD1 4.07Å; L242-L312 HydrophobicContact CD2-CD2 4.11Å; L242-L312 HydrophobicContact CG-CD2 3.95Å; L242-C328 HydrophobicContact CD1-CB 4.43Å; L242-V329 HydrophobicContact CD1-CG2 4.22Å; L242-V329 HydrophobicContact CD2-CG2 4.24Å; L242-V329 HydrophobicContact CG-CG2 4.4Å; L242-D332 HydrophobicContact CD2-CB 3.91Å
243	L	76.9	Confident	79.2	Confident	71 Å²	71	47.6 Å²	47.6	37%	0.372	24%	0.244	S	C	.	.	H	α-helix	trans	-62	-40.4	174.2	-179.6	65.8	0	0	0	111.3	D239 E240 L241 K247	D239-L243 PolarHBondContact O-N 3.21Å; E240-L243 WeakPolarHBondContact O-CB 3.42Å; E240-L243 PolarHBondContact O-N 3.18Å; L241-L243 VanDerWaalsContact C-N 3.33Å; L241-L243 PolarHBondContact O-N 3.32Å; L243-K247 WeakPolarHBondContact O-CG 3.46Å; L243-K247 PolarHBondContact O-N 3.27Å
244	R	84.2	Confident	79.8	Confident	23 Å²	23	45 Å²	45	9%	0.087	24%	0.239	C	C	.	.	H	α-helix	trans	-69.8	-40.5	177.5	-69.5	-153.2	174.6	85.4	9	112.9	E240 L241 L242 R246 K247 E248 I308 E489 F507	E240-R244 VanDerWaalsContact CD-NH1 3.28Å; E240-R244 VanDerWaalsContact CG-NH1 3.29Å; E240-R244 WeakPolarHBondContact O-CG 3.35Å; E240-R244 PolarHBondContact O-N 2.98Å; E240-R244 IonicContact OE1-CZ 3.57Å; E240-R244 IonicContact OE1-NH1 3.1Å; E240-R244 PolarHBondContact OE1-NH1 3.27Å; E240-R244 IonicContact OE1-NH2 3.5Å; E240-R244 PolarHBondContact OE1-NH2 3.48Å; L241-R244 PolarHBondContact O-N 3.2Å; L241-R244 VanDerWaalsContact O-N 3.16Å; L242-R244 VanDerWaalsContact C-N 3.3Å; L242-R244 PolarHBondContact O-N 2.9Å; R244-R246 VanDerWaalsContact C-N 3.27Å; R244-R246 PolarHBondContact O-N 2.98Å; R244-K247 PolarHBondContact O-N 3.37Å; R244-K247 VanDerWaalsContact O-N 3.16Å; R244-E248 WeakPolarHBondContact O-CB 3.08Å; R244-E248 PolarHBondContact O-N 3.22Å; R244-I308 HydrophobicContact CB-CD1 4.26Å; R244-E489 IonicContact CZ-OE2 2.78Å; R244-E489 IonicContact NE-OE2 3.28Å; R244-E489 IonicContact NH2-OE2 2.89Å; R244-E489 PolarHBondContact NH2-OE2 2.93Å; R244-F507 VanDerWaalsContact CZ-CD2 3.48Å; R244-F507 VanDerWaalsContact CZ-CG 3.42Å
245	L	86.6	Confident	80	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-52.2	-48.4	173.5	-176.3	72.4	0	0	0	110.6	L241 L242 E248 A249 L305 I308 L312 D332 T336	L241-L245 PolarHBondContact O-N 3.1Å; L242-L245 PolarHBondContact O-N 3.3Å; L245-E248 PolarHBondContact O-N 3.42Å; L245-A249 VanDerWaalsContact O-CB 3.25Å; L245-A249 WeakPolarHBondContact O-CB 3.12Å; L245-A249 PolarHBondContact O-N 2.8Å; L245-L305 HydrophobicContact CD1-CD2 3.81Å; L245-I308 HydrophobicContact CB-CG2 3.79Å; L245-I308 HydrophobicContact CD1-CB 4.39Å; L245-I308 HydrophobicContact CD1-CG2 3.89Å; L245-I308 HydrophobicContact CG-CG2 4.45Å; L245-L312 HydrophobicContact CB-CD1 4.21Å; L245-L312 HydrophobicContact CD1-CD1 4.48Å; L245-L312 HydrophobicContact CD2-CD1 3.81Å; L245-L312 HydrophobicContact CG-CD1 4.4Å; L245-D332 HydrophobicContact CD2-CB 4.02Å; L245-T336 HydrophobicContact CD1-CG2 4.2Å; L245-T336 HydrophobicContact CG-CG2 4.48Å
246	R	81	Confident	80.5	Confident	128 Å²	128	45.7 Å²	45.7	48%	0.483	24%	0.24	S	C	.	.	H	α-helix	trans	-65.9	-40.1	179.9	-66	173.3	-170	160.3	2.2	113.1	L242 R244 A250 D332	L242-R246 WeakPolarHBondContact O-CG 3.4Å; L242-R246 PolarHBondContact O-N 3.26Å; R244-R246 VanDerWaalsContact C-N 3.27Å; R244-R246 PolarHBondContact O-N 2.98Å; R246-A250 PolarHBondContact O-N 3.25Å; R246-D332 IonicContact CZ-OD2 2.66Å; R246-D332 VanDerWaalsContact CZ-OD2 3.25Å; R246-D332 IonicContact NE-OD2 3.87Å; R246-D332 PolarHBondContact NE-OD2 3.34Å; R246-D332 IonicContact NH2-OD1 2.87Å; R246-D332 IonicContact NH2-OD2 2.8Å; R246-D332 PolarHBondContact NH2-OD2 2.81Å
247	K	80.6	Confident	81	Confident	108 Å²	108	46.9 Å²	46.9	47%	0.47	25%	0.245	S	C	.	.	H	α-helix	trans	-63.6	-47.2	175.7	-74.8	178.4	179.3	179.5	0	111.2	L243 R244 A250 M251	L243-K247 WeakPolarHBondContact O-CG 3.46Å; L243-K247 PolarHBondContact O-N 3.27Å; R244-K247 PolarHBondContact O-N 3.37Å; R244-K247 VanDerWaalsContact O-N 3.16Å; K247-A250 PolarHBondContact O-N 3.38Å; K247-M251 WeakPolarHBondContact O-CG 3.2Å; K247-M251 PolarHBondContact O-N 2.78Å; K247-M251 VanDerWaalsContact O-N 3.09Å
248	E	87	Confident	80.6	Confident	9 Å²	9	48.7 Å²	48.7	4%	0.042	25%	0.253	C	S	.	.	H	α-helix	trans	-68.7	-37.4	-178.5	-160.1	66.1	-127.9	0	0	111.6	R244 L245 A250 M251 H252 S301 K304 L305 I308	R244-E248 WeakPolarHBondContact O-CB 3.08Å; R244-E248 PolarHBondContact O-N 3.22Å; L245-E248 PolarHBondContact O-N 3.42Å; E248-A250 VanDerWaalsContact C-N 3.33Å; E248-A250 PolarHBondContact O-N 2.79Å; E248-M251 HydrophobicContact CB-CE 4.4Å; E248-M251 HydrophobicContact CG-CE 4.45Å; E248-M251 PolarHBondContact O-N 3.37Å; E248-M251 VanDerWaalsContact O-N 3.14Å; E248-M251 WeakPolarHBondContact OE1-CE 3.5Å; E248-M251 WeakPolarHBondContact OE2-CE 3.39Å; E248-H252 WeakPolarHBondContact O-CB 3.28Å; E248-H252 PolarHBondContact O-N 2.8Å; E248-S301 WeakPolarHBondContact OE1-CA 3.33Å; E248-S301 WeakPolarHBondContact OE1-CB 3.39Å; E248-K304 VanDerWaalsContact CD-CD 3.45Å; E248-K304 HydrophobicContact CG-CB 3.75Å; E248-K304 HydrophobicContact CG-CD 4.33Å; E248-K304 WeakPolarHBondContact OE2-CD 3.5Å; E248-K304 IonicContact OE2-NZ 3.04Å; E248-L305 HydrophobicContact CB-CD2 3.88Å; E248-L305 HydrophobicContact CB-CG 4.21Å; E248-L305 HydrophobicContact CG-CD2 4.14Å; E248-L305 HydrophobicContact CG-CG 3.89Å; E248-I308 HydrophobicContact CB-CD1 4.04Å; E248-I308 HydrophobicContact CG-CD1 4.35Å
249	A	82.3	Confident	80.4	Confident	28 Å²	28	49.1 Å²	49.1	23%	0.231	26%	0.256	C	S	.	.	H	α-helix	trans	-60.6	-41.3	174.1	0	0	0	0	0	112.2	L245 H252 E253 L305 T336	L245-A249 VanDerWaalsContact O-CB 3.25Å; L245-A249 WeakPolarHBondContact O-CB 3.12Å; L245-A249 PolarHBondContact O-N 2.8Å; A249-H252 PolarHBondContact O-N 3.19Å; A249-E253 PolarHBondContact O-N 3.48Å; A249-L305 HydrophobicContact CB-CD2 4.2Å; A249-T336 HydrophobicContact CB-CG2 3.72Å
250	A	77.4	Confident	80.5	Confident	67 Å²	67	52.3 Å²	52.3	55%	0.554	27%	0.267	S	S	*	.	H	α-helix	trans	-66.1	-38.5	174.7	0	0	0	0	0	112.2	R246 K247 E248 G254	R246-A250 PolarHBondContact O-N 3.25Å; K247-A250 PolarHBondContact O-N 3.38Å; E248-A250 VanDerWaalsContact C-N 3.33Å; E248-A250 PolarHBondContact O-N 2.79Å; A250-G254 PolarHBondContact O-N 2.87Å
251	M	79.9	Confident	80.2	Confident	93 Å²	93	55.6 Å²	55.6	46%	0.458	29%	0.285	S	S	.	.	H	α-helix	trans	-66.6	-41.9	175.1	-70.9	-170.4	-67.2	0	0	111.9	K247 E248 G254 A255	K247-M251 WeakPolarHBondContact O-CG 3.2Å; K247-M251 PolarHBondContact O-N 2.78Å; K247-M251 VanDerWaalsContact O-N 3.09Å; E248-M251 HydrophobicContact CB-CE 4.4Å; E248-M251 HydrophobicContact CG-CE 4.45Å; E248-M251 PolarHBondContact O-N 3.37Å; E248-M251 VanDerWaalsContact O-N 3.14Å; E248-M251 WeakPolarHBondContact OE1-CE 3.5Å; E248-M251 WeakPolarHBondContact OE2-CE 3.39Å; M251-G254 PolarHBondContact O-N 2.66Å; M251-A255 WeakPolarHBondContact O-CB 3.27Å; M251-A255 PolarHBondContact O-N 2.87Å
252	H	86.3	Confident	79.4	Confident	30 Å²	30	57.6 Å²	57.6	14%	0.139	30%	0.296	C	S	.	.	H	α-helix	trans	-59.3	-49.9	175.2	-179	86.8	0	0	0	111.8	E248 A249 G254 A255 K256 L298 S301 Q302 L305	E248-H252 WeakPolarHBondContact O-CB 3.28Å; E248-H252 PolarHBondContact O-N 2.8Å; A249-H252 PolarHBondContact O-N 3.19Å; H252-G254 VanDerWaalsContact C-N 3.32Å; H252-G254 PolarHBondContact O-N 2.91Å; H252-A255 PolarHBondContact O-N 2.87Å; H252-K256 VanDerWaalsContact O-CB 3.3Å; H252-K256 WeakPolarHBondContact O-CB 3.43Å; H252-K256 PolarHBondContact O-N 2.82Å; H252-L298 VanDerWaalsContact CE1-CD1 3.43Å; H252-L298 WeakPolarHBondContact CE1-CD1 3.18Å; H252-S301 WeakPolarHBondContact CA-OG 3.41Å; H252-Q302 PolarHBondContact CE1-OE1 3.42Å; H252-L305 HydrophobicContact CB-CD1 3.69Å
253	E	80.5	Confident	78.7	Confident	79 Å²	79	60.2 Å²	60.2	37%	0.369	31%	0.312	S	S	.	.	H	α-helix	trans	-65.3	-36.6	178.4	-172.1	54.8	-145.7	0	0	111.7	A249 K256 N257	A249-E253 PolarHBondContact O-N 3.48Å; E253-K256 PolarHBondContact O-N 3.09Å; E253-N257 WeakPolarHBondContact O-CB 3.46Å; E253-N257 VanDerWaalsContact O-CG 3.29Å; E253-N257 PolarHBondContact O-N 3.13Å; E253-N257 PolarHBondContact O-ND2 2.95Å; E253-N257 PolarHBondContact OE1-ND2 2.59Å; E253-N257 PolarHBondContact OE1-OD1 3.07Å
254	G	73.6	Confident	77.7	Confident	36 Å²	36	62.3 Å²	62.3	37%	0.371	33%	0.33	S	S	.	.	H	α-helix	trans	-61.2	-47.6	172.3	0	0	0	0	0	112.8	A250 M251 H252 N257 M258	A250-G254 PolarHBondContact O-N 2.87Å; M251-G254 PolarHBondContact O-N 2.66Å; H252-G254 VanDerWaalsContact C-N 3.32Å; H252-G254 PolarHBondContact O-N 2.91Å; G254-N257 PolarHBondContact O-N 3.28Å; G254-M258 WeakPolarHBondContact O-CG 3.43Å; G254-M258 PolarHBondContact O-N 2.71Å
255	A	78.9	Confident	75.9	Confident	7 Å²	7	67.3 Å²	67.3	6%	0.058	36%	0.358	C	S	.	.	H	α-helix	trans	-64.6	-42.8	177.5	0	0	0	0	0	111.7	M251 H252 N257 M258 V259 L298	M251-A255 WeakPolarHBondContact O-CB 3.27Å; M251-A255 PolarHBondContact O-N 2.87Å; H252-A255 PolarHBondContact O-N 2.87Å; A255-N257 VanDerWaalsContact C-N 3.35Å; A255-N257 PolarHBondContact O-N 3.21Å; A255-M258 WeakPolarHBondContact O-CB 3.15Å; A255-M258 PolarHBondContact O-N 2.88Å; A255-M258 VanDerWaalsContact O-N 3.17Å; A255-V259 WeakPolarHBondContact O-CG2 2.94Å; A255-V259 PolarHBondContact O-N 3.44Å; A255-L298 HydrophobicContact CB-CB 3.95Å; A255-L298 HydrophobicContact CB-CD1 4.3Å
256	K	83.2	Confident	74	Confident	76 Å²	76	76.4 Å²	76.4	33%	0.33	40%	0.398	S	S	.	.	H	α-helix	trans	-58.8	-45	175.3	-174.4	-180	-177.4	179.8	0	111.6	H252 E253 V259 K260 L298	H252-K256 VanDerWaalsContact O-CB 3.3Å; H252-K256 WeakPolarHBondContact O-CB 3.43Å; H252-K256 PolarHBondContact O-N 2.82Å; E253-K256 PolarHBondContact O-N 3.09Å; K256-V259 PolarHBondContact O-N 3.42Å; K256-K260 WeakPolarHBondContact O-CG 2.89Å; K256-K260 PolarHBondContact O-N 2.67Å; K256-L298 HydrophobicContact CB-CD1 3.87Å
257	N	76.9	Confident	72.2	Confident	58 Å²	58	77.2 Å²	77.2	31%	0.31	41%	0.412	S	S	.	.	H	α-helix	trans	-67.7	-35.3	176.4	-72.7	-38.9	0	0	0	112.4	E253 G254 A255 K260 I261	E253-N257 WeakPolarHBondContact O-CB 3.46Å; E253-N257 VanDerWaalsContact O-CG 3.29Å; E253-N257 PolarHBondContact O-N 3.13Å; E253-N257 PolarHBondContact O-ND2 2.95Å; E253-N257 PolarHBondContact OE1-ND2 2.59Å; E253-N257 PolarHBondContact OE1-OD1 3.07Å; G254-N257 PolarHBondContact O-N 3.28Å; A255-N257 VanDerWaalsContact C-N 3.35Å; A255-N257 PolarHBondContact O-N 3.21Å; N257-K260 PolarHBondContact O-N 3.37Å; N257-I261 WeakPolarHBondContact O-CB 3.11Å; N257-I261 WeakPolarHBondContact O-CD1 3.41Å; N257-I261 VanDerWaalsContact O-CG1 3.26Å; N257-I261 WeakPolarHBondContact O-CG1 3.43Å; N257-I261 PolarHBondContact O-N 3.41Å
258	M	72.9	Confident	70.1	Confident	88 Å²	88	77.8 Å²	77.8	43%	0.433	42%	0.424	S	S	.	.	H	α-helix	trans	-64.7	-43.7	171.7	-72.6	-75	81.9	0	0	112.8	G254 A255 K260 I261 L262 A294	G254-M258 WeakPolarHBondContact O-CG 3.43Å; G254-M258 PolarHBondContact O-N 2.71Å; A255-M258 WeakPolarHBondContact O-CB 3.15Å; A255-M258 PolarHBondContact O-N 2.88Å; A255-M258 VanDerWaalsContact O-N 3.17Å; M258-K260 VanDerWaalsContact C-N 3.33Å; M258-K260 PolarHBondContact O-N 3.1Å; M258-I261 HydrophobicContact CE-CB 4.18Å; M258-I261 HydrophobicContact CE-CD1 3.37Å; M258-I261 HydrophobicContact CE-CG1 4.34Å; M258-I261 HydrophobicContact CE-CG2 4.36Å; M258-I261 PolarHBondContact O-N 3.2Å; M258-L262 WeakPolarHBondContact O-CB 3.48Å; M258-L262 WeakPolarHBondContact O-CG 3.17Å; M258-L262 PolarHBondContact O-N 2.96Å; M258-A294 HydrophobicContact CB-CB 4.04Å
259	V	77.2	Confident	67.6	Low	9 Å²	9	84.3 Å²	84.3	6%	0.055	45%	0.454	C	S	.	.	H	α-helix	trans	-60.7	-43.6	174.6	173.5	0	0	0	0	110.6	A255 K256 I261 L262 T263 A294 M295 L298	A255-V259 WeakPolarHBondContact O-CG2 2.94Å; A255-V259 PolarHBondContact O-N 3.44Å; K256-V259 PolarHBondContact O-N 3.42Å; V259-I261 VanDerWaalsContact C-N 3.34Å; V259-I261 PolarHBondContact O-N 3.48Å; V259-L262 PolarHBondContact O-N 3.16Å; V259-T263 VanDerWaalsContact O-CB 3.31Å; V259-T263 WeakPolarHBondContact O-CB 3.49Å; V259-T263 PolarHBondContact O-N 3.32Å; V259-T263 PolarHBondContact O-OG1 2.99Å; V259-A294 HydrophobicContact CG2-CB 3.77Å; V259-M295 HydrophobicContact CG1-CE 4.38Å; V259-M295 HydrophobicContact CG2-CG 4.05Å; V259-L298 HydrophobicContact CG2-CD2 4.16Å
260	K	77.8	Confident	65.5	Low	125 Å²	125	93.3 Å²	93.3	54%	0.543	49%	0.488	S	S	.	.	H	α-helix	trans	-59.1	-41.7	174.7	-73	173.8	-176	170.3	0	112.8	K256 N257 M258	K256-K260 WeakPolarHBondContact O-CG 2.89Å; K256-K260 PolarHBondContact O-N 2.67Å; N257-K260 PolarHBondContact O-N 3.37Å; M258-K260 VanDerWaalsContact C-N 3.33Å; M258-K260 PolarHBondContact O-N 3.1Å
261	I	73.5	Confident	63.6	Low	123 Å²	123	100.7 Å²	100.7	63%	0.631	50%	0.502	S	S	*	.	H	α-helix	trans	-71.3	-37.8	-179.9	-72	163.6	0	0	0	111.8	N257 M258 V259	N257-I261 WeakPolarHBondContact O-CB 3.11Å; N257-I261 WeakPolarHBondContact O-CD1 3.41Å; N257-I261 VanDerWaalsContact O-CG1 3.26Å; N257-I261 WeakPolarHBondContact O-CG1 3.43Å; N257-I261 PolarHBondContact O-N 3.41Å; M258-I261 HydrophobicContact CE-CB 4.18Å; M258-I261 HydrophobicContact CE-CD1 3.37Å; M258-I261 HydrophobicContact CE-CG1 4.34Å; M258-I261 HydrophobicContact CE-CG2 4.36Å; M258-I261 PolarHBondContact O-N 3.2Å; V259-I261 VanDerWaalsContact C-N 3.34Å; V259-I261 PolarHBondContact O-N 3.48Å
262	L	68.1	Low	61.8	Low	44 Å²	44	101.7 Å²	101.7	23%	0.23	52%	0.518	C	S	.	.	H	α-helix	trans	-85.7	-14.9	-176.1	-64.9	170.1	0	0	0	113.2	M258 V259 P264 C290 A294	M258-L262 WeakPolarHBondContact O-CB 3.48Å; M258-L262 WeakPolarHBondContact O-CG 3.17Å; M258-L262 PolarHBondContact O-N 2.96Å; V259-L262 PolarHBondContact O-N 3.16Å; L262-P264 WeakPolarHBondContact O-CD 3.38Å; L262-C290 HydrophobicContact CD1-CB 3.9Å; L262-C290 HydrophobicContact CD2-CB 4.27Å; L262-A294 HydrophobicContact CD1-CB 4.01Å
263	T	67.4	Low	59.7	Low	62 Å²	62	106 Å²	106	38%	0.38	54%	0.541	S	S	.	.	S	Bend	trans	-81.2	117.2	175.2	-56.7	0	0	0	0	109.1	V259 N265	V259-T263 VanDerWaalsContact O-CB 3.31Å; V259-T263 WeakPolarHBondContact O-CB 3.49Å; V259-T263 PolarHBondContact O-N 3.32Å; V259-T263 PolarHBondContact O-OG1 2.99Å; T263-N265 PolarHBondContact O-N 3.25Å
264	P	56.2	Low	57.7	Low	115 Å²	115	111.4 Å²	111.4	75%	0.747	57%	0.567	S	S	*	*			trans	-64.9	112.8	-177.9	24.3	-31.3	0	0	0	110.1	L262 K266	L262-P264 WeakPolarHBondContact O-CD 3.38Å; P264-K266 PolarHBondContact O-N 2.9Å
265	N	47.7	Very low	56.1	Low	128 Å²	128	117.3 Å²	117.3	68%	0.684	59%	0.59	S	S	*	*			trans	-66.5	122.1	173.5	-137.3	-6.5	0	0	0	108.2	T263 N267 V268	T263-N265 PolarHBondContact O-N 3.25Å; N265-N267 PolarHBondContact O-N 3.33Å; N265-V268 HydrophobicContact CB-CG2 4.47Å; N265-V268 PolarHBondContact O-N 3.49Å
266	K	44.6	Very low	54.2	Low	192 Å²	192	121.7 Å²	121.7	84%	0.835	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-2.8	-175.4	-72.1	-176.9	177.9	177.9	0	114.5	P264	P264-K266 PolarHBondContact O-N 2.9Å
267	N	43.4	Very low	52	Low	144 Å²	144	130.7 Å²	130.7	77%	0.77	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.3	10.5	-169.6	-68.6	-14.7	0	0	0	115.9	N265	N265-N267 PolarHBondContact O-N 3.33Å
268	V	38	Very low	50.4	Low	121 Å²	121	132.4 Å²	132.4	73%	0.733	66%	0.656	S	S	*	*			trans	-113.8	104.6	177.8	-174.8	0	0	0	0	111.4	N265	N265-V268 HydrophobicContact CB-CG2 4.47Å; N265-V268 PolarHBondContact O-N 3.49Å
269	E	34.5	Very low	48.8	Very low	145 Å²	145	134.2 Å²	134.2	68%	0.678	67%	0.667	S	S	*	*			trans	-64	126.5	-171.6	-63.1	177.5	133.6	0	0	115.1	R271	E269-R271 VanDerWaalsContact C-N 3.26Å; E269-R271 PolarHBondContact O-N 3.29Å
270	K	36.9	Very low	47.3	Very low	218 Å²	218	141.3 Å²	141.3	95%	0.948	70%	0.699	S	S	*	*	S	Bend		44	3.2	117.6	-81.3	-178	176.1	176.7	0	122.8
271	R	38	Very low	45.8	Very low	222 Å²	222	138.4 Å²	138.4	84%	0.838	69%	0.694	S	S	*	*			trans	-110.3	-2	-167.8	-81.2	-176.9	176.8	167.2	1.8	118.9	E269	E269-R271 VanDerWaalsContact C-N 3.26Å; E269-R271 PolarHBondContact O-N 3.29Å
272	S	41.3	Very low	44.5	Very low	113 Å²	113	134.9 Å²	134.9	79%	0.79	68%	0.68	S	S	*	*	S	Bend	trans	-125.9	11.3	-171.4	55.3	0	0	0	0	117.4
273	L	42.5	Very low	43.7	Very low	120 Å²	120	138 Å²	138	63%	0.628	69%	0.692	S	S	*	*			trans	-113.1	18.1	-172	-82.9	164.7	0	0	0	115.8
274	Q	39.3	Very low	43.1	Very low	194 Å²	194	137.8 Å²	137.8	91%	0.907	69%	0.693	S	S	*	*	S	Bend	trans	-84.5	-13.9	178	-84.7	179.1	-6.6	0	0	115
275	D	38.8	Very low	43.2	Very low	160 Å²	160	140.3 Å²	140.3	86%	0.856	69%	0.688	S	S	*	*	S	Bend	trans	-103.6	6.1	-167.7	-77.2	-24.5	0	0	0	116.5
276	V	40.7	Very low	43.6	Very low	99 Å²	99	139.5 Å²	139.5	60%	0.6	68%	0.683	S	S	*	*			trans	-133.3	113.9	175.8	-155.6	0	0	0	0	109.7	I278	V276-I278 HydrophobicContact CB-CD1 4.36Å; V276-I278 HydrophobicContact CB-CG1 4.23Å; V276-I278 HydrophobicContact CG1-CD1 3.76Å; V276-I278 HydrophobicContact CG1-CG1 3.59Å; V276-I278 PolarHBondContact O-N 3.45Å
277	R	36.5	Very low	44.4	Very low	264 Å²	264	132.2 Å²	132.2	100%	0.996	66%	0.656	S	S	*	*			trans	-65.9	62	168.8	-78.5	-179	171.6	170.3	-2.7	110.7
278	I	43.1	Very low	45.5	Very low	95 Å²	95	129.1 Å²	129.1	49%	0.487	65%	0.645	S	S	.	*			trans	-97.4	120.4	164.5	-58.4	176	0	0	0	105.5	V276 H280 F283	V276-I278 HydrophobicContact CB-CD1 4.36Å; V276-I278 HydrophobicContact CB-CG1 4.23Å; V276-I278 HydrophobicContact CG1-CD1 3.76Å; V276-I278 HydrophobicContact CG1-CG1 3.59Å; V276-I278 PolarHBondContact O-N 3.45Å; I278-H280 PolarHBondContact O-N 3.35Å; I278-H280 VanDerWaalsContact O-N 3.13Å; I278-F283 HydrophobicContact CG2-CB 4.14Å
279	D	39.1	Very low	47	Very low	125 Å²	125	131.8 Å²	131.8	67%	0.668	64%	0.642	S	S	*	*			trans	-48.3	122.2	175.9	-86.8	-28.4	0	0	0	110.1	C281 S282 F283	D279-C281 PolarHBondContact O-N 3Å; D279-S282 WeakPolarHBondContact CB-OG 3.27Å; D279-S282 PolarHBondContact O-N 3.08Å; D279-S282 PolarHBondContact O-OG 2.98Å; D279-F283 PolarHBondContact O-N 2.97Å; D279-F283 VanDerWaalsContact O-N 3.14Å
280	H	46.5	Very low	48.6	Very low	158 Å²	158	127.9 Å²	127.9	73%	0.731	63%	0.63	S	S	*	*	H	α-helix	trans	-53.2	-25.5	-179.4	-127.9	-78.4	0	0	0	112.5	I278 S284	I278-H280 PolarHBondContact O-N 3.35Å; I278-H280 VanDerWaalsContact O-N 3.13Å; H280-S284 WeakPolarHBondContact O-CB 3.19Å; H280-S284 PolarHBondContact O-N 3.41Å; H280-S284 PolarHBondContact O-OG 2.87Å
281	C	45.9	Very low	50.3	Low	65 Å²	65	118.6 Å²	118.6	44%	0.439	59%	0.593	S	S	.	*	H	α-helix	trans	-78.9	-31.2	177.3	-162.6	0	0	0	0	113.9	D279 S284 R285	D279-C281 PolarHBondContact O-N 3Å; C281-S284 PolarHBondContact O-OG 2.62Å; C281-R285 VanDerWaalsContact O-CG 3.3Å; C281-R285 WeakPolarHBondContact O-CG 3.47Å; C281-R285 PolarHBondContact O-N 3.25Å; C281-R285 PolarHBondContact SG-NH2 2.86Å
282	S	46	Very low	52	Low	48 Å²	48	114.3 Å²	114.3	34%	0.336	58%	0.58	S	S	.	*	H	α-helix	trans	-83.4	-34	177	46.7	0	0	0	0	111.7	D279 L286	D279-S282 WeakPolarHBondContact CB-OG 3.27Å; D279-S282 PolarHBondContact O-N 3.08Å; D279-S282 PolarHBondContact O-OG 2.98Å; S282-L286 WeakPolarHBondContact O-CB 3.17Å; S282-L286 VanDerWaalsContact O-CD1 3.25Å; S282-L286 WeakPolarHBondContact O-CD1 3.38Å; S282-L286 PolarHBondContact O-N 2.99Å
283	F	50.5	Low	53.7	Low	111 Å²	111	115.7 Å²	115.7	49%	0.487	57%	0.572	S	S	.	*	H	α-helix	trans	-64.4	-42.7	170.9	-172.6	-99.2	0	0	0	112.3	I278 D279 L286 S287	I278-F283 HydrophobicContact CG2-CB 4.14Å; D279-F283 PolarHBondContact O-N 2.97Å; D279-F283 VanDerWaalsContact O-N 3.14Å; F283-L286 PolarHBondContact O-N 3.35Å; F283-S287 VanDerWaalsContact O-CB 3.3Å; F283-S287 WeakPolarHBondContact O-CB 3.18Å; F283-S287 PolarHBondContact O-N 3.37Å
284	S	54.7	Low	55.2	Low	56 Å²	56	110.5 Å²	110.5	39%	0.392	55%	0.546	S	S	.	.	H	α-helix	trans	-65.7	-42.5	177.4	76.5	0	0	0	0	112.2	H280 C281 S287 S288	H280-S284 WeakPolarHBondContact O-CB 3.19Å; H280-S284 PolarHBondContact O-N 3.41Å; H280-S284 PolarHBondContact O-OG 2.87Å; C281-S284 PolarHBondContact O-OG 2.62Å; S284-S287 PolarHBondContact O-N 2.87Å; S284-S288 WeakPolarHBondContact O-CB 3.16Å; S284-S288 PolarHBondContact O-N 2.89Å; S284-S288 PolarHBondContact O-OG 3.37Å; S284-S288 VanDerWaalsContact O-OG 3.06Å
285	R	58.4	Low	57.3	Low	169 Å²	169	105 Å²	105	64%	0.638	52%	0.521	S	S	*	.	H	α-helix	trans	-64.2	-39.6	175.6	-74.5	-176.5	-141	177.8	3.4	112.9	C281 R289	C281-R285 VanDerWaalsContact O-CG 3.3Å; C281-R285 WeakPolarHBondContact O-CG 3.47Å; C281-R285 PolarHBondContact O-N 3.25Å; C281-R285 PolarHBondContact SG-NH2 2.86Å; R285-R289 WeakPolarHBondContact O-CG 3Å; R285-R289 PolarHBondContact O-N 3.46Å; R285-R289 VanDerWaalsContact O-N 3.1Å
286	L	56.7	Low	59.4	Low	111 Å²	111	101.1 Å²	101.1	58%	0.581	50%	0.501	S	S	*	.	H	α-helix	trans	-66.6	-45.5	174.7	-99.8	89.2	0	0	0	111.3	S282 F283 S288 R289 C290	S282-L286 WeakPolarHBondContact O-CB 3.17Å; S282-L286 VanDerWaalsContact O-CD1 3.25Å; S282-L286 WeakPolarHBondContact O-CD1 3.38Å; S282-L286 PolarHBondContact O-N 2.99Å; F283-L286 PolarHBondContact O-N 3.35Å; L286-S288 PolarHBondContact O-N 3.47Å; L286-R289 PolarHBondContact O-N 3.12Å; L286-C290 PolarHBondContact O-N 3.14Å; L286-C290 PolarHBondContact O-SG 3.49Å; L286-C290 VanDerWaalsContact O-SG 3.34Å
287	S	61.3	Low	61.5	Low	39 Å²	39	98.9 Å²	98.9	27%	0.273	49%	0.49	S	S	.	.	H	α-helix	trans	-59.4	-45.5	177.9	-177	0	0	0	0	111.7	F283 S284 R289 C290 S291	F283-S287 VanDerWaalsContact O-CB 3.3Å; F283-S287 WeakPolarHBondContact O-CB 3.18Å; F283-S287 PolarHBondContact O-N 3.37Å; S284-S287 PolarHBondContact O-N 2.87Å; S287-R289 PolarHBondContact O-N 3.18Å; S287-C290 PolarHBondContact O-N 3.23Å; S287-S291 WeakPolarHBondContact O-CB 3.49Å; S287-S291 PolarHBondContact O-N 3.19Å
288	S	67.4	Low	63.9	Low	78 Å²	78	87.5 Å²	87.5	55%	0.545	45%	0.449	S	S	.	.	H	α-helix	trans	-62.5	-40.2	175.3	-61.2	0	0	0	0	113	S284 L286 S291 F292	S284-S288 WeakPolarHBondContact O-CB 3.16Å; S284-S288 PolarHBondContact O-N 2.89Å; S284-S288 PolarHBondContact O-OG 3.37Å; S284-S288 VanDerWaalsContact O-OG 3.06Å; L286-S288 PolarHBondContact O-N 3.47Å; S288-S291 PolarHBondContact O-N 3.15Å; S288-F292 WeakPolarHBondContact O-CB 3.32Å; S288-F292 PolarHBondContact O-N 2.99Å
289	R	68.2	Low	66	Low	178 Å²	178	89.4 Å²	89.4	67%	0.672	45%	0.449	S	S	*	.	H	α-helix	trans	-67.1	-38.8	175.6	-76.4	179.4	77	-176.3	5.5	112.6	R285 L286 S287 K293	R285-R289 WeakPolarHBondContact O-CG 3Å; R285-R289 PolarHBondContact O-N 3.46Å; R285-R289 VanDerWaalsContact O-N 3.1Å; L286-R289 PolarHBondContact O-N 3.12Å; S287-R289 PolarHBondContact O-N 3.18Å; R289-K293 WeakPolarHBondContact O-CG 3.38Å; R289-K293 PolarHBondContact O-N 3.13Å; R289-K293 VanDerWaalsContact O-N 3.12Å
290	C	69.2	Low	68.3	Low	63 Å²	63	84.8 Å²	84.8	43%	0.426	42%	0.424	S	S	.	.	H	α-helix	trans	-67.9	-42	175.9	-70.1	0	0	0	0	111.3	L262 L286 S287 K293 A294	L262-C290 HydrophobicContact CD1-CB 3.9Å; L262-C290 HydrophobicContact CD2-CB 4.27Å; L286-C290 PolarHBondContact O-N 3.14Å; L286-C290 PolarHBondContact O-SG 3.49Å; L286-C290 VanDerWaalsContact O-SG 3.34Å; S287-C290 PolarHBondContact O-N 3.23Å; C290-K293 PolarHBondContact O-N 3.16Å; C290-A294 WeakPolarHBondContact O-CB 3.3Å; C290-A294 PolarHBondContact O-N 3.19Å
291	S	71.9	Confident	70.3	Confident	22 Å²	22	77.3 Å²	77.3	15%	0.154	39%	0.39	C	S	.	.	H	α-helix	trans	-61.7	-45.6	177.2	-174.8	0	0	0	0	111.1	S287 S288 A294 M295	S287-S291 WeakPolarHBondContact O-CB 3.49Å; S287-S291 PolarHBondContact O-N 3.19Å; S288-S291 PolarHBondContact O-N 3.15Å; S291-A294 PolarHBondContact O-N 3.01Å; S291-M295 WeakPolarHBondContact O-CG 3.44Å; S291-M295 PolarHBondContact O-N 3.44Å
292	F	74.6	Confident	72.3	Confident	132 Å²	132	76.1 Å²	76.1	58%	0.579	38%	0.377	S	S	*	.	H	α-helix	trans	-59.6	-48.4	175.4	-172.1	-94.2	0	0	0	112.4	S288 A294 M295 D296	S288-F292 WeakPolarHBondContact O-CB 3.32Å; S288-F292 PolarHBondContact O-N 2.99Å; F292-A294 VanDerWaalsContact C-N 3.32Å; F292-A294 PolarHBondContact O-N 2.8Å; F292-M295 WeakPolarHBondContact O-CB 3.33Å; F292-M295 PolarHBondContact O-N 2.85Å; F292-D296 WeakPolarHBondContact CD1-OD2 3.05Å; F292-D296 WeakPolarHBondContact CE1-OD2 3.12Å; F292-D296 PolarHBondContact O-N 2.9Å
293	K	75.4	Confident	74.4	Confident	143 Å²	143	74 Å²	74	62%	0.622	36%	0.362	S	S	*	.	H	α-helix	trans	-62.1	-36.9	176	-76.3	-172.8	174	-168.4	0	113.3	R289 C290 S297	R289-K293 WeakPolarHBondContact O-CG 3.38Å; R289-K293 PolarHBondContact O-N 3.13Å; R289-K293 VanDerWaalsContact O-N 3.12Å; C290-K293 PolarHBondContact O-N 3.16Å; K293-S297 WeakPolarHBondContact O-CB 3.31Å; K293-S297 PolarHBondContact O-N 3.42Å
294	A	75.6	Confident	76.3	Confident	10 Å²	10	69.1 Å²	69.1	8%	0.083	34%	0.341	C	S	.	.	H	α-helix	trans	-67.6	-38	176.4	0	0	0	0	0	111.3	M258 V259 L262 C290 S291 F292 L298	M258-A294 HydrophobicContact CB-CB 4.04Å; V259-A294 HydrophobicContact CG2-CB 3.77Å; L262-A294 HydrophobicContact CD1-CB 4.01Å; C290-A294 WeakPolarHBondContact O-CB 3.3Å; C290-A294 PolarHBondContact O-N 3.19Å; S291-A294 PolarHBondContact O-N 3.01Å; F292-A294 VanDerWaalsContact C-N 3.32Å; F292-A294 PolarHBondContact O-N 2.8Å; A294-L298 WeakPolarHBondContact O-CB 3.4Å; A294-L298 PolarHBondContact O-N 3.47Å
295	M	83.7	Confident	78	Confident	78 Å²	78	66.8 Å²	66.8	38%	0.384	32%	0.324	S	S	.	.	H	α-helix	trans	-65.8	-43	173.4	-71.5	179.5	176.9	0	0	112.2	V259 S291 F292 L298 R299	V259-M295 HydrophobicContact CG1-CE 4.38Å; V259-M295 HydrophobicContact CG2-CG 4.05Å; S291-M295 WeakPolarHBondContact O-CG 3.44Å; S291-M295 PolarHBondContact O-N 3.44Å; F292-M295 WeakPolarHBondContact O-CB 3.33Å; F292-M295 PolarHBondContact O-N 2.85Å; M295-L298 PolarHBondContact O-N 3.25Å; M295-R299 PolarHBondContact O-N 3.07Å
296	D	83	Confident	79.5	Confident	79 Å²	79	60.1 Å²	60.1	42%	0.422	30%	0.301	S	S	.	.	H	α-helix	trans	-61.4	-45.8	175.4	-73	-18.2	0	0	0	111.2	F292 L298 R299 E300	F292-D296 WeakPolarHBondContact CD1-OD2 3.05Å; F292-D296 WeakPolarHBondContact CE1-OD2 3.12Å; F292-D296 PolarHBondContact O-N 2.9Å; D296-L298 VanDerWaalsContact C-N 3.29Å; D296-L298 PolarHBondContact O-N 3.02Å; D296-R299 PolarHBondContact O-N 3.22Å; D296-E300 WeakPolarHBondContact O-CB 3.3Å; D296-E300 PolarHBondContact O-N 3.32Å
297	S	83.2	Confident	81.1	Confident	53 Å²	53	54.8 Å²	54.8	37%	0.371	27%	0.273	S	S	.	.	H	α-helix	trans	-63.7	-34.3	176.8	-171.9	0	0	0	0	112.5	K293 S301	K293-S297 WeakPolarHBondContact O-CB 3.31Å; K293-S297 PolarHBondContact O-N 3.42Å; S297-S301 WeakPolarHBondContact O-CB 3.28Å; S297-S301 PolarHBondContact O-N 3.04Å; S297-S301 VanDerWaalsContact O-N 3.09Å; S297-S301 PolarHBondContact O-OG 3.35Å
298	L	87.8	Confident	82.5	Confident	25 Å²	25	53 Å²	53	13%	0.131	26%	0.261	C	S	.	.	H	α-helix	trans	-68.2	-44.2	176.1	179.3	62.3	0	0	0	111.1	H252 A255 K256 V259 A294 M295 D296 S301 Q302	H252-L298 VanDerWaalsContact CE1-CD1 3.43Å; H252-L298 WeakPolarHBondContact CE1-CD1 3.18Å; A255-L298 HydrophobicContact CB-CB 3.95Å; A255-L298 HydrophobicContact CB-CD1 4.3Å; K256-L298 HydrophobicContact CB-CD1 3.87Å; V259-L298 HydrophobicContact CG2-CD2 4.16Å; A294-L298 WeakPolarHBondContact O-CB 3.4Å; A294-L298 PolarHBondContact O-N 3.47Å; M295-L298 PolarHBondContact O-N 3.25Å; D296-L298 VanDerWaalsContact C-N 3.29Å; D296-L298 PolarHBondContact O-N 3.02Å; L298-S301 PolarHBondContact O-OG 2.96Å; L298-Q302 WeakPolarHBondContact O-CB 3.44Å; L298-Q302 PolarHBondContact O-N 3.12Å
299	R	86.5	Confident	83.5	Confident	134 Å²	134	49.8 Å²	49.8	51%	0.506	24%	0.238	S	C	.	.	H	α-helix	trans	-66	-46	177.7	-175.8	176.9	178.6	-173.8	-1.5	111.8	M295 D296 S301 Q302 D303	M295-R299 PolarHBondContact O-N 3.07Å; D296-R299 PolarHBondContact O-N 3.22Å; R299-S301 PolarHBondContact O-N 3.42Å; R299-Q302 PolarHBondContact O-N 3.3Å; R299-D303 WeakPolarHBondContact O-CB 3.35Å; R299-D303 PolarHBondContact O-N 2.81Å
300	E	87.3	Confident	84.6	Confident	29 Å²	29	43.1 Å²	43.1	14%	0.136	22%	0.215	C	C	.	.	H	α-helix	trans	-64.1	-40.6	180	-175.6	178	-165.2	0	0	112.4	D296 D303 K304 R457 M502	D296-E300 WeakPolarHBondContact O-CB 3.3Å; D296-E300 PolarHBondContact O-N 3.32Å; E300-D303 PolarHBondContact O-N 2.83Å; E300-K304 WeakPolarHBondContact O-CG 3.41Å; E300-K304 PolarHBondContact O-N 3.3Å; E300-R457 IonicContact OE1-CZ 3.81Å; E300-R457 IonicContact OE1-NE 3.74Å; E300-R457 PolarHBondContact OE1-NE 3.19Å; E300-R457 IonicContact OE1-NH1 2.77Å; E300-R457 IonicContact OE1-NH2 3.51Å; E300-R457 PolarHBondContact OE1-NH2 3.36Å; E300-R457 IonicContact OE2-CZ 3.94Å; E300-R457 VanDerWaalsContact OE2-CZ 3.31Å; E300-R457 IonicContact OE2-NE 2.74Å; E300-R457 IonicContact OE2-NH1 3.59Å; E300-R457 IonicContact OE2-NH2 3.12Å; E300-R457 PolarHBondContact OE2-NH2 2.98Å; E300-M502 HydrophobicContact CG-CE 3.96Å
301	S	88	Confident	85.6	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.007	20%	0.195	C	C	.	.	H	α-helix	trans	-69.6	-35.7	177.1	54.6	0	0	0	0	112.8	E248 H252 S297 L298 R299 L305	E248-S301 WeakPolarHBondContact OE1-CA 3.33Å; E248-S301 WeakPolarHBondContact OE1-CB 3.39Å; H252-S301 WeakPolarHBondContact CA-OG 3.41Å; S297-S301 WeakPolarHBondContact O-CB 3.28Å; S297-S301 PolarHBondContact O-N 3.04Å; S297-S301 VanDerWaalsContact O-N 3.09Å; S297-S301 PolarHBondContact O-OG 3.35Å; L298-S301 PolarHBondContact O-OG 2.96Å; R299-S301 PolarHBondContact O-N 3.42Å; S301-L305 WeakPolarHBondContact O-CB 3.39Å; S301-L305 VanDerWaalsContact O-CG 3.25Å; S301-L305 WeakPolarHBondContact O-CG 3.39Å; S301-L305 PolarHBondContact O-N 3.25Å
302	Q	89.8	Confident	86.4	Confident	39 Å²	39	39 Å²	39	18%	0.182	19%	0.187	C	C	.	.	H	α-helix	trans	-61.6	-49.5	169.8	-175.9	63.6	50.4	0	0	111.1	H252 L298 R299 K304 L305 D306 Y412	H252-Q302 PolarHBondContact CE1-OE1 3.42Å; L298-Q302 WeakPolarHBondContact O-CB 3.44Å; L298-Q302 PolarHBondContact O-N 3.12Å; R299-Q302 PolarHBondContact O-N 3.3Å; Q302-K304 VanDerWaalsContact C-N 3.27Å; Q302-K304 PolarHBondContact O-N 3.26Å; Q302-L305 WeakPolarHBondContact O-CB 3.4Å; Q302-L305 PolarHBondContact O-N 3.1Å; Q302-L305 VanDerWaalsContact O-N 3.13Å; Q302-D306 PolarHBondContact NE2-OD1 2.92Å; Q302-D306 VanDerWaalsContact O-CG 3.31Å; Q302-D306 PolarHBondContact O-N 2.87Å; Q302-Y412 HydrophobicContact CG-CE1 4.02Å
303	D	90.1	Very high	87	Confident	3 Å²	3	37 Å²	37	2%	0.016	18%	0.18	C	C	.	.	H	α-helix	trans	-57.8	-41.1	-178.4	-83.5	-7.4	0	0	0	111.9	R299 E300 L307 R405 Y412 S501 M502	R299-D303 WeakPolarHBondContact O-CB 3.35Å; R299-D303 PolarHBondContact O-N 2.81Å; E300-D303 PolarHBondContact O-N 2.83Å; D303-L307 WeakPolarHBondContact O-CG 3.46Å; D303-L307 PolarHBondContact O-N 2.86Å; D303-R405 VanDerWaalsContact CG-NH2 3.34Å; D303-R405 PolarHBondContact O-NH2 3.26Å; D303-R405 IonicContact OD1-CZ 3.25Å; D303-R405 IonicContact OD1-NE 3.99Å; D303-R405 IonicContact OD1-NH1 2.98Å; D303-R405 IonicContact OD1-NH2 2.7Å; D303-R405 PolarHBondContact OD1-NH2 3.48Å; D303-Y412 PolarHBondContact OD1-OH 3.21Å; D303-S501 WeakPolarHBondContact OD2-CB 3.4Å; D303-S501 PolarHBondContact OD2-OG 3.4Å; D303-M502 HydrophobicContact CB-CB 4.03Å
304	K	90.4	Very high	87.6	Confident	10 Å²	10	33.5 Å²	33.5	4%	0.043	16%	0.164	C	C	.	.	H	α-helix	trans	-70	-41.8	175.6	-75.1	176.2	179.5	175.4	0	113.1	E248 E300 Q302 D306 L307 I308 E491 N493 M502	E248-K304 VanDerWaalsContact CD-CD 3.45Å; E248-K304 HydrophobicContact CG-CB 3.75Å; E248-K304 HydrophobicContact CG-CD 4.33Å; E248-K304 WeakPolarHBondContact OE2-CD 3.5Å; E248-K304 IonicContact OE2-NZ 3.04Å; E300-K304 WeakPolarHBondContact O-CG 3.41Å; E300-K304 PolarHBondContact O-N 3.3Å; Q302-K304 VanDerWaalsContact C-N 3.27Å; Q302-K304 PolarHBondContact O-N 3.26Å; K304-D306 VanDerWaalsContact C-N 3.26Å; K304-D306 PolarHBondContact O-N 3.02Å; K304-L307 PolarHBondContact O-N 3Å; K304-I308 WeakPolarHBondContact O-CB 3.31Å; K304-I308 WeakPolarHBondContact O-CG1 3.34Å; K304-I308 PolarHBondContact O-N 3.29Å; K304-E491 WeakPolarHBondContact CE-OE1 3.49Å; K304-E491 IonicContact NZ-OE1 3.19Å; K304-E491 PolarHBondContact NZ-OE1 3.17Å; K304-E491 IonicContact NZ-OE2 3.17Å; K304-N493 WeakPolarHBondContact CE-ND2 3.43Å; K304-M502 HydrophobicContact CB-SD 4.46Å; K304-M502 HydrophobicContact CD-CE 4.37Å; K304-M502 HydrophobicContact CG-CE 3.65Å; K304-M502 HydrophobicContact CG-SD 3.45Å; K304-M502 WeakPolarHBondContact CG-SD 3.36Å
305	L	89.7	Confident	88.2	Confident	7 Å²	7	33.6 Å²	33.6	4%	0.037	16%	0.163	C	C	.	.	H	α-helix	trans	-55.6	-45.5	176.7	-81.5	173.5	0	0	0	110.8	L245 E248 A249 H252 S301 Q302 L307 I308 C309 T336	L245-L305 HydrophobicContact CD1-CD2 3.81Å; E248-L305 HydrophobicContact CB-CD2 3.88Å; E248-L305 HydrophobicContact CB-CG 4.21Å; E248-L305 HydrophobicContact CG-CD2 4.14Å; E248-L305 HydrophobicContact CG-CG 3.89Å; A249-L305 HydrophobicContact CB-CD2 4.2Å; H252-L305 HydrophobicContact CB-CD1 3.69Å; S301-L305 WeakPolarHBondContact O-CB 3.39Å; S301-L305 VanDerWaalsContact O-CG 3.25Å; S301-L305 WeakPolarHBondContact O-CG 3.39Å; S301-L305 PolarHBondContact O-N 3.25Å; Q302-L305 WeakPolarHBondContact O-CB 3.4Å; Q302-L305 PolarHBondContact O-N 3.1Å; Q302-L305 VanDerWaalsContact O-N 3.13Å; L305-L307 PolarHBondContact O-N 2.87Å; L305-I308 PolarHBondContact O-N 2.9Å; L305-C309 PolarHBondContact O-N 3.35Å; L305-C309 PolarHBondContact O-SG 3.46Å; L305-T336 HydrophobicContact CD1-CG2 4.38Å; L305-T336 HydrophobicContact CD2-CG2 3.77Å
306	D	89.3	Confident	88.2	Confident	28 Å²	28	30.7 Å²	30.7	15%	0.15	15%	0.15	C	C	.	.	H	α-helix	trans	-59.8	-47.5	178.5	-60.8	-22.4	0	0	0	111	Q302 K304 C309 I310 R405	Q302-D306 PolarHBondContact NE2-OD1 2.92Å; Q302-D306 VanDerWaalsContact O-CG 3.31Å; Q302-D306 PolarHBondContact O-N 2.87Å; K304-D306 VanDerWaalsContact C-N 3.26Å; K304-D306 PolarHBondContact O-N 3.02Å; D306-C309 PolarHBondContact O-N 3.19Å; D306-I310 VanDerWaalsContact O-CG1 3.3Å; D306-I310 WeakPolarHBondContact O-CG1 3.27Å; D306-I310 PolarHBondContact O-N 3.46Å; D306-I310 VanDerWaalsContact O-N 3.07Å; D306-R405 IonicContact OD2-NH2 3.97Å
307	L	91.5	Very high	88.3	Confident	0 Å²	0	34 Å²	34	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-66	-38.7	178.4	-66.3	-178.2	0	0	0	113.2	D303 K304 L305 C309 I310 A311 L399 M502 F505 P527	D303-L307 WeakPolarHBondContact O-CG 3.46Å; D303-L307 PolarHBondContact O-N 2.86Å; K304-L307 PolarHBondContact O-N 3Å; L305-L307 PolarHBondContact O-N 2.87Å; L307-C309 VanDerWaalsContact C-N 3.34Å; L307-I310 HydrophobicContact CD2-CD1 4.46Å; L307-I310 PolarHBondContact O-N 2.96Å; L307-A311 WeakPolarHBondContact O-CB 3.47Å; L307-A311 PolarHBondContact O-N 2.96Å; L307-L399 HydrophobicContact CD2-CD2 4.5Å; L307-M502 HydrophobicContact CD1-CB 4.25Å; L307-M502 HydrophobicContact CD1-CG 3.68Å; L307-M502 HydrophobicContact CD1-SD 3.83Å; L307-F505 HydrophobicContact CB-CD1 3.91Å; L307-F505 HydrophobicContact CB-CE1 3.68Å; L307-F505 HydrophobicContact CD1-CD1 4Å; L307-P527 HydrophobicContact CD2-CG 4.28Å
308	I	90.2	Very high	88.3	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-64.8	-40	176	-66.3	162.7	0	0	0	110.2	R244 L245 E248 K304 L305 A311 L312 F505	R244-I308 HydrophobicContact CB-CD1 4.26Å; L245-I308 HydrophobicContact CB-CG2 3.79Å; L245-I308 HydrophobicContact CD1-CB 4.39Å; L245-I308 HydrophobicContact CD1-CG2 3.89Å; L245-I308 HydrophobicContact CG-CG2 4.45Å; E248-I308 HydrophobicContact CB-CD1 4.04Å; E248-I308 HydrophobicContact CG-CD1 4.35Å; K304-I308 WeakPolarHBondContact O-CB 3.31Å; K304-I308 WeakPolarHBondContact O-CG1 3.34Å; K304-I308 PolarHBondContact O-N 3.29Å; L305-I308 PolarHBondContact O-N 2.9Å; I308-A311 PolarHBondContact O-N 3.18Å; I308-L312 HydrophobicContact CG2-CD1 3.96Å; I308-L312 HydrophobicContact CG2-CG 4.33Å; I308-L312 WeakPolarHBondContact O-CB 3.5Å; I308-L312 WeakPolarHBondContact O-CG 3.27Å; I308-L312 PolarHBondContact O-N 3.42Å; I308-F505 HydrophobicContact CG1-CE1 3.84Å; I308-F505 HydrophobicContact CG1-CE2 4.41Å; I308-F505 HydrophobicContact CG1-CZ 3.54Å
309	C	89.4	Confident	87.9	Confident	9 Å²	9	35.5 Å²	35.5	6%	0.061	16%	0.164	C	C	.	.	H	α-helix	trans	-61.3	-46.4	175.4	-67.2	0	0	0	0	111.1	L305 D306 L307 A311 L312 E313	L305-C309 PolarHBondContact O-N 3.35Å; L305-C309 PolarHBondContact O-SG 3.46Å; D306-C309 PolarHBondContact O-N 3.19Å; L307-C309 VanDerWaalsContact C-N 3.34Å; C309-A311 VanDerWaalsContact C-N 3.34Å; C309-A311 PolarHBondContact O-N 3.28Å; C309-L312 PolarHBondContact O-N 2.85Å; C309-E313 WeakPolarHBondContact O-CG 3.15Å; C309-E313 PolarHBondContact O-N 3Å
310	I	89.6	Confident	87.4	Confident	38 Å²	38	32.7 Å²	32.7	20%	0.195	16%	0.163	C	C	.	.	H	α-helix	trans	-60.8	-43.1	176.9	-63.8	162.6	0	0	0	111	D306 L307 E313 K314 L399 P403 P527	D306-I310 VanDerWaalsContact O-CG1 3.3Å; D306-I310 WeakPolarHBondContact O-CG1 3.27Å; D306-I310 PolarHBondContact O-N 3.46Å; D306-I310 VanDerWaalsContact O-N 3.07Å; L307-I310 HydrophobicContact CD2-CD1 4.46Å; L307-I310 PolarHBondContact O-N 2.96Å; I310-E313 PolarHBondContact O-N 2.97Å; I310-K314 WeakPolarHBondContact O-CB 3.13Å; I310-K314 PolarHBondContact O-N 3.36Å; I310-L399 HydrophobicContact CD1-CD2 4.45Å; I310-P403 HydrophobicContact CD1-CG 4.09Å; I310-P527 HydrophobicContact CB-CB 4.23Å; I310-P527 HydrophobicContact CB-CG 4.27Å; I310-P527 HydrophobicContact CG2-CB 3.7Å; I310-P527 HydrophobicContact CG2-CG 3.82Å
311	A	90.1	Very high	86.7	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.3	-44.3	177.3	0	0	0	0	0	111.8	L241 L307 I308 C309 K314 H315 E526 P527	L241-A311 HydrophobicContact CD1-CB 3.9Å; L241-A311 HydrophobicContact CD2-CB 4.19Å; L307-A311 WeakPolarHBondContact O-CB 3.47Å; L307-A311 PolarHBondContact O-N 2.96Å; I308-A311 PolarHBondContact O-N 3.18Å; C309-A311 VanDerWaalsContact C-N 3.34Å; C309-A311 PolarHBondContact O-N 3.28Å; A311-K314 PolarHBondContact O-N 2.91Å; A311-H315 PolarHBondContact O-CD2 3.29Å; A311-H315 PolarHBondContact O-N 3.48Å; A311-E526 HydrophobicContact CB-CB 4.2Å; A311-E526 WeakPolarHBondContact CB-OE2 3.34Å; A311-P527 HydrophobicContact CB-CB 3.99Å
312	L	89.4	Confident	85.7	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.1	-43.2	176.2	-78.9	171.1	0	0	0	112	V238 L241 L242 L245 I308 C309 H315 C316 V329 I333	V238-L312 HydrophobicContact CG1-CD2 4.42Å; L241-L312 HydrophobicContact CB-CD2 3.45Å; L241-L312 VanDerWaalsContact CB-CD2 3.45Å; L241-L312 HydrophobicContact CB-CG 3.9Å; L241-L312 HydrophobicContact CD1-CD2 4.31Å; L242-L312 HydrophobicContact CD2-CD1 4.07Å; L242-L312 HydrophobicContact CD2-CD2 4.11Å; L242-L312 HydrophobicContact CG-CD2 3.95Å; L245-L312 HydrophobicContact CB-CD1 4.21Å; L245-L312 HydrophobicContact CD1-CD1 4.48Å; L245-L312 HydrophobicContact CD2-CD1 3.81Å; L245-L312 HydrophobicContact CG-CD1 4.4Å; I308-L312 HydrophobicContact CG2-CD1 3.96Å; I308-L312 HydrophobicContact CG2-CG 4.33Å; I308-L312 WeakPolarHBondContact O-CB 3.5Å; I308-L312 WeakPolarHBondContact O-CG 3.27Å; I308-L312 PolarHBondContact O-N 3.42Å; C309-L312 PolarHBondContact O-N 2.85Å; L312-H315 PolarHBondContact O-N 2.77Å; L312-C316 WeakPolarHBondContact O-CB 2.96Å; L312-C316 PolarHBondContact O-N 3.2Å; L312-V329 HydrophobicContact CB-CG1 4.05Å; L312-V329 HydrophobicContact CD2-CG2 4.27Å; L312-I333 HydrophobicContact CB-CD1 4.12Å; L312-I333 HydrophobicContact CD1-CG1 4.39Å
313	E	87.5	Confident	84.9	Confident	89 Å²	89	43.3 Å²	43.3	42%	0.416	22%	0.224	S	C	.	.	H	α-helix	trans	-62.1	-45.5	176.4	-74.1	179.1	173.8	0	0	111.7	C309 I310 C316 Q317 I333	C309-E313 WeakPolarHBondContact O-CG 3.15Å; C309-E313 PolarHBondContact O-N 3Å; I310-E313 PolarHBondContact O-N 2.97Å; E313-C316 PolarHBondContact O-N 3.36Å; E313-Q317 WeakPolarHBondContact O-CG 3.44Å; E313-Q317 PolarHBondContact O-N 3.46Å; E313-I333 HydrophobicContact CG-CD1 4.03Å
314	K	88.4	Confident	84.1	Confident	69 Å²	69	47.7 Å²	47.7	30%	0.3	25%	0.253	S	S	.	.	H	α-helix	trans	-58	-49.6	176	178.7	-168.8	174.2	-158.5	0	111.9	I310 A311 Q317 P527	I310-K314 WeakPolarHBondContact O-CB 3.13Å; I310-K314 PolarHBondContact O-N 3.36Å; A311-K314 PolarHBondContact O-N 2.91Å; K314-Q317 PolarHBondContact O-N 2.83Å; K314-P527 WeakPolarHBondContact CD-O 3.01Å; K314-P527 PolarHBondContact NZ-O 3.18Å
315	H	86.7	Confident	83.2	Confident	13 Å²	13	48.8 Å²	48.8	6%	0.06	26%	0.257	C	S	.	.	H	α-helix	trans	-77.2	-26.7	-178.4	-70.7	-62.6	0	0	0	113.1	V234 L237 V238 A311 L312 Q317 Q318 L319 E526	V234-H315 HydrophobicContact CG1-CB 4.38Å; V234-H315 WeakPolarHBondContact CG1-O 3.19Å; L237-H315 WeakPolarHBondContact CD2-CE1 3.19Å; L237-H315 WeakPolarHBondContact CD2-NE2 2.85Å; V238-H315 HydrophobicContact CG2-CB 3.84Å; A311-H315 PolarHBondContact O-CD2 3.29Å; A311-H315 PolarHBondContact O-N 3.48Å; L312-H315 PolarHBondContact O-N 2.77Å; H315-Q317 VanDerWaalsContact C-N 3.27Å; H315-Q317 PolarHBondContact O-N 3.47Å; H315-Q318 PolarHBondContact ND1-OE1 3.2Å; H315-Q318 WeakPolarHBondContact O-CB 3.3Å; H315-Q318 PolarHBondContact O-N 3.03Å; H315-L319 PolarHBondContact O-N 3.18Å; H315-E526 IonicContact CD2-OE2 3.96Å; H315-E526 IonicContact NE2-OE1 3.57Å; H315-E526 IonicContact NE2-OE2 3.62Å; H315-E526 PolarHBondContact NE2-OE2 2.97Å
316	C	85.1	Confident	82.7	Confident	16 Å²	16	51.5 Å²	51.5	11%	0.108	27%	0.267	C	S	.	.	H	α-helix	trans	-63.3	-33.3	172.6	-176.2	0	0	0	0	112.2	L312 E313 Q318 L319 R326 V329	L312-C316 WeakPolarHBondContact O-CB 2.96Å; L312-C316 PolarHBondContact O-N 3.2Å; E313-C316 PolarHBondContact O-N 3.36Å; C316-Q318 PolarHBondContact O-N 3.39Å; C316-L319 PolarHBondContact O-N 3.25Å; C316-R326 PolarHBondContact O-NE 2.89Å; C316-R326 PolarHBondContact O-NH2 3.3Å; C316-V329 HydrophobicContact CB-CG1 4.08Å
317	Q	84.2	Confident	82.1	Confident	150 Å²	150	55 Å²	55	70%	0.701	29%	0.286	S	S	*	.	H	α-helix	trans	-65.3	-28.8	173.3	-68.1	173.3	20.2	0	0	112.5	E313 K314 H315 R326	E313-Q317 WeakPolarHBondContact O-CG 3.44Å; E313-Q317 PolarHBondContact O-N 3.46Å; K314-Q317 PolarHBondContact O-N 2.83Å; H315-Q317 VanDerWaalsContact C-N 3.27Å; H315-Q317 PolarHBondContact O-N 3.47Å; Q317-R326 PolarHBondContact O-NH2 3.37Å
318	Q	83.2	Confident	81.4	Confident	104 Å²	104	57.9 Å²	57.9	49%	0.486	31%	0.305	S	S	.	.	H	α-helix	trans	-82.2	-14.3	178.3	-60.6	173	-7.5	0	0	113.5	V234 H315 C316	V234-Q318 HydrophobicContact CG1-CB 3.85Å; V234-Q318 HydrophobicContact CG2-CB 4.18Å; H315-Q318 PolarHBondContact ND1-OE1 3.2Å; H315-Q318 WeakPolarHBondContact O-CB 3.3Å; H315-Q318 PolarHBondContact O-N 3.03Å; C316-Q318 PolarHBondContact O-N 3.39Å
319	L	79.4	Confident	80.9	Confident	5 Å²	5	57.9 Å²	57.9	3%	0.026	31%	0.306	C	S	.	.	S	Bend	trans	-71.7	147.2	174.5	-70	175.9	0	0	0	111.8	V234 E235 V238 H315 C316 K325 R326	V234-L319 HydrophobicContact CB-CD2 4.29Å; V234-L319 HydrophobicContact CG1-CD2 3.76Å; V234-L319 HydrophobicContact CG1-CG 4.08Å; E235-L319 HydrophobicContact CB-CD2 4.37Å; E235-L319 HydrophobicContact CG-CD2 3.44Å; E235-L319 VanDerWaalsContact CG-CD2 3.44Å; V238-L319 HydrophobicContact CG1-CD1 4.32Å; V238-L319 HydrophobicContact CG2-CD1 4.1Å; V238-L319 HydrophobicContact CG2-CD2 4.47Å; V238-L319 HydrophobicContact CG2-CG 4.33Å; H315-L319 PolarHBondContact O-N 3.18Å; C316-L319 PolarHBondContact O-N 3.25Å; L319-K325 HydrophobicContact CD1-CB 3.89Å; L319-R326 HydrophobicContact CB-CG 4.05Å; L319-R326 HydrophobicContact CD1-CG 4.13Å; L319-R326 PolarHBondContact O-NE 3.15Å; L319-R326 PolarHBondContact O-NH2 3.25Å
320	P	75.9	Confident	80.4	Confident	75 Å²	75	63.1 Å²	63.1	49%	0.487	33%	0.327	S	S	.	.			trans	-52.2	142.8	171	-24.9	33.4	0	0	0	111.8	Q322 S323	P320-Q322 PolarHBondContact O-N 2.82Å; P320-S323 WeakPolarHBondContact O-CB 3.49Å; P320-S323 PolarHBondContact O-N 2.64Å
321	S	72.4	Confident	79.7	Confident	98 Å²	98	64.5 Å²	64.5	69%	0.685	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-21.9	-175.9	53.9	0	0	0	0	114.6
322	Q	68.2	Low	79	Confident	184 Å²	184	66 Å²	66	86%	0.86	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	4.9	179.1	-58.2	-177.7	8	0	0	113.7	P320	P320-Q322 PolarHBondContact O-N 2.82Å
323	S	72.8	Confident	78.5	Confident	9 Å²	9	66.3 Å²	66.3	6%	0.063	35%	0.347	C	S	.	.			trans	-72.3	126.2	-176.7	-178.2	0	0	0	0	111.2	E235 P320 K325 R326	E235-S323 PolarHBondContact OE1-OG 3.31Å; P320-S323 WeakPolarHBondContact O-CB 3.49Å; P320-S323 PolarHBondContact O-N 2.64Å; S323-K325 PolarHBondContact O-N 3.11Å; S323-K325 VanDerWaalsContact O-N 3.08Å; S323-K325 PolarHBondContact OG-N 3.37Å; S323-R326 WeakPolarHBondContact O-CB 3.3Å; S323-R326 PolarHBondContact O-N 3.07Å
324	P	73.1	Confident	77.8	Confident	96 Å²	96	63.8 Å²	63.8	62%	0.623	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.6	177.5	26.9	-35	0	0	0	112.6	R326 D327 C328	P324-R326 VanDerWaalsContact C-N 3.26Å; P324-R326 PolarHBondContact O-N 3.46Å; P324-D327 PolarHBondContact O-N 3.37Å; P324-C328 PolarHBondContact O-N 2.85Å
325	K	71.5	Confident	76.8	Confident	32 Å²	32	67.4 Å²	67.4	14%	0.139	36%	0.359	C	S	.	.	H	α-helix	trans	-66.5	-26.3	175.8	-69.2	-177.6	168.4	-173	0	112.7	E235 D239 L319 S323 D327 C328 V329	E235-K325 HydrophobicContact CB-CD 4.14Å; E235-K325 HydrophobicContact CG-CD 3.92Å; E235-K325 PolarHBondContact O-NZ 2.83Å; D239-K325 WeakPolarHBondContact OD1-CE 3.44Å; D239-K325 IonicContact OD1-NZ 3.37Å; D239-K325 PolarHBondContact OD1-NZ 3.24Å; D239-K325 VanDerWaalsContact OD1-NZ 3.08Å; D239-K325 WeakPolarHBondContact OD2-CE 3.44Å; D239-K325 IonicContact OD2-NZ 3.56Å; D239-K325 PolarHBondContact OD2-NZ 3.17Å; L319-K325 HydrophobicContact CD1-CB 3.89Å; S323-K325 PolarHBondContact O-N 3.11Å; S323-K325 VanDerWaalsContact O-N 3.08Å; S323-K325 PolarHBondContact OG-N 3.37Å; K325-D327 VanDerWaalsContact C-N 3.29Å; K325-D327 PolarHBondContact O-N 3Å; K325-C328 PolarHBondContact O-N 3.43Å; K325-V329 WeakPolarHBondContact O-CG2 3.42Å; K325-V329 PolarHBondContact O-N 3.44Å
326	R	79.6	Confident	75.7	Confident	65 Å²	65	68.6 Å²	68.6	25%	0.245	37%	0.367	C	S	.	.	H	α-helix	trans	-61.3	-38.8	174.7	-71.1	-169.5	138.3	-174.4	3.9	111.9	C316 Q317 L319 S323 P324 V329 K330	C316-R326 PolarHBondContact O-NE 2.89Å; C316-R326 PolarHBondContact O-NH2 3.3Å; Q317-R326 PolarHBondContact O-NH2 3.37Å; L319-R326 HydrophobicContact CB-CG 4.05Å; L319-R326 HydrophobicContact CD1-CG 4.13Å; L319-R326 PolarHBondContact O-NE 3.15Å; L319-R326 PolarHBondContact O-NH2 3.25Å; S323-R326 WeakPolarHBondContact O-CB 3.3Å; S323-R326 PolarHBondContact O-N 3.07Å; P324-R326 VanDerWaalsContact C-N 3.26Å; P324-R326 PolarHBondContact O-N 3.46Å; R326-V329 PolarHBondContact O-N 3.46Å; R326-K330 WeakPolarHBondContact O-CG 3.37Å; R326-K330 PolarHBondContact O-N 3.49Å; R326-K330 VanDerWaalsContact O-N 3.16Å
327	D	76.1	Confident	74.3	Confident	101 Å²	101	69.1 Å²	69.1	54%	0.54	37%	0.369	S	S	.	.	H	α-helix	trans	-74	-37.3	178.5	-65.5	-30.4	0	0	0	111.7	P324 K325 V329 K330 T331	P324-D327 PolarHBondContact O-N 3.37Å; K325-D327 VanDerWaalsContact C-N 3.29Å; K325-D327 PolarHBondContact O-N 3Å; D327-V329 PolarHBondContact O-N 3.23Å; D327-K330 PolarHBondContact O-N 2.87Å; D327-T331 WeakPolarHBondContact O-CB 3.5Å; D327-T331 PolarHBondContact O-N 2.59Å; D327-T331 PolarHBondContact O-OG1 3.43Å
328	C	76.6	Confident	72.2	Confident	60 Å²	60	66.7 Å²	66.7	41%	0.405	37%	0.367	S	S	.	.	H	α-helix	trans	-58.9	-45	171.2	-66.2	0	0	0	0	111.9	L242 P324 K325 T331 D332	L242-C328 HydrophobicContact CD1-CB 4.43Å; P324-C328 PolarHBondContact O-N 2.85Å; K325-C328 PolarHBondContact O-N 3.43Å; C328-T331 PolarHBondContact O-N 3.25Å; C328-D332 WeakPolarHBondContact O-CB 3.08Å; C328-D332 PolarHBondContact O-N 3.29Å
329	V	79.3	Confident	70.1	Confident	3 Å²	3	66 Å²	66	2%	0.018	37%	0.373	C	S	.	.	H	α-helix	trans	-60.4	-47.8	176.8	172.3	0	0	0	0	111.3	V238 L242 L312 C316 K325 R326 D327 T331 D332 I333	V238-V329 HydrophobicContact CG1-CG2 3.66Å; L242-V329 HydrophobicContact CD1-CG2 4.22Å; L242-V329 HydrophobicContact CD2-CG2 4.24Å; L242-V329 HydrophobicContact CG-CG2 4.4Å; L312-V329 HydrophobicContact CB-CG1 4.05Å; L312-V329 HydrophobicContact CD2-CG2 4.27Å; C316-V329 HydrophobicContact CB-CG1 4.08Å; K325-V329 WeakPolarHBondContact O-CG2 3.42Å; K325-V329 PolarHBondContact O-N 3.44Å; R326-V329 PolarHBondContact O-N 3.46Å; D327-V329 PolarHBondContact O-N 3.23Å; V329-T331 VanDerWaalsContact C-N 3.33Å; V329-T331 PolarHBondContact O-N 3.33Å; V329-D332 PolarHBondContact O-N 3.14Å; V329-I333 HydrophobicContact CG1-CD1 3.57Å; V329-I333 HydrophobicContact CG1-CG1 4.32Å; V329-I333 WeakPolarHBondContact O-CB 3.39Å; V329-I333 VanDerWaalsContact O-CG1 3.23Å; V329-I333 WeakPolarHBondContact O-CG1 3.4Å; V329-I333 PolarHBondContact O-N 3.02Å
330	K	78.7	Confident	68.1	Low	118 Å²	118	71.4 Å²	71.4	51%	0.513	40%	0.401	S	S	.	.	H	α-helix	trans	-61.1	-42.7	178.1	-72.5	176	-178	175.5	0	112.4	R326 D327 A334	R326-K330 WeakPolarHBondContact O-CG 3.37Å; R326-K330 PolarHBondContact O-N 3.49Å; R326-K330 VanDerWaalsContact O-N 3.16Å; D327-K330 PolarHBondContact O-N 2.87Å; K330-A334 VanDerWaalsContact O-CB 3.27Å; K330-A334 WeakPolarHBondContact O-CB 3.33Å; K330-A334 PolarHBondContact O-N 3.05Å
331	T	76.4	Confident	66.1	Low	68 Å²	68	74.1 Å²	74.1	42%	0.417	40%	0.403	S	S	.	.	H	α-helix	trans	-67.5	-48.9	-178.3	-57.3	0	0	0	0	110.3	D327 C328 V329 A334 H335	D327-T331 WeakPolarHBondContact O-CB 3.5Å; D327-T331 PolarHBondContact O-N 2.59Å; D327-T331 PolarHBondContact O-OG1 3.43Å; C328-T331 PolarHBondContact O-N 3.25Å; V329-T331 VanDerWaalsContact C-N 3.33Å; V329-T331 PolarHBondContact O-N 3.33Å; T331-A334 PolarHBondContact O-N 3.43Å; T331-H335 VanDerWaalsContact CG2-CE1 3.48Å; T331-H335 WeakPolarHBondContact CG2-CE1 3.25Å; T331-H335 PolarHBondContact O-N 3.42Å; T331-H335 PolarHBondContact O-ND1 3.27Å
332	D	74.8	Confident	64	Low	32 Å²	32	79.3 Å²	79.3	17%	0.171	41%	0.408	C	S	.	.	H	α-helix	trans	-67.7	-38.7	-178.1	-76.6	16.2	0	0	0	111.9	L242 L245 R246 C328 V329 H335 T336	L242-D332 HydrophobicContact CD2-CB 3.91Å; L245-D332 HydrophobicContact CD2-CB 4.02Å; R246-D332 IonicContact CZ-OD2 2.66Å; R246-D332 VanDerWaalsContact CZ-OD2 3.25Å; R246-D332 IonicContact NE-OD2 3.87Å; R246-D332 PolarHBondContact NE-OD2 3.34Å; R246-D332 IonicContact NH2-OD1 2.87Å; R246-D332 IonicContact NH2-OD2 2.8Å; R246-D332 PolarHBondContact NH2-OD2 2.81Å; C328-D332 WeakPolarHBondContact O-CB 3.08Å; C328-D332 PolarHBondContact O-N 3.29Å; V329-D332 PolarHBondContact O-N 3.14Å; D332-H335 PolarHBondContact O-N 3.45Å; D332-T336 PolarHBondContact O-N 3.49Å; D332-T336 VanDerWaalsContact O-N 3.16Å; D332-T336 PolarHBondContact O-OG1 2.91Å
333	I	79.2	Confident	62.1	Low	5 Å²	5	78.1 Å²	78.1	3%	0.026	41%	0.407	C	S	.	.	H	α-helix	trans	-61.3	-45.9	173	-69	173.1	0	0	0	110.6	L312 E313 V329 H335 T336 N337 Y341	L312-I333 HydrophobicContact CB-CD1 4.12Å; L312-I333 HydrophobicContact CD1-CG1 4.39Å; E313-I333 HydrophobicContact CG-CD1 4.03Å; V329-I333 HydrophobicContact CG1-CD1 3.57Å; V329-I333 HydrophobicContact CG1-CG1 4.32Å; V329-I333 WeakPolarHBondContact O-CB 3.39Å; V329-I333 VanDerWaalsContact O-CG1 3.23Å; V329-I333 WeakPolarHBondContact O-CG1 3.4Å; V329-I333 PolarHBondContact O-N 3.02Å; I333-H335 VanDerWaalsContact C-N 3.3Å; I333-H335 PolarHBondContact O-N 3.41Å; I333-T336 PolarHBondContact O-N 3.41Å; I333-T336 VanDerWaalsContact O-N 3.11Å; I333-N337 PolarHBondContact O-N 3.11Å; I333-N337 VanDerWaalsContact O-N 3.1Å; I333-Y341 HydrophobicContact CG2-CE2 4.32Å
334	A	71.9	Confident	59.9	Low	36 Å²	36	88.8 Å²	88.8	30%	0.298	45%	0.446	S	S	.	.	H	α-helix	trans	-62.4	-35	179.5	0	0	0	0	0	113.1	K330 T331 T336 Y341	K330-A334 VanDerWaalsContact O-CB 3.27Å; K330-A334 WeakPolarHBondContact O-CB 3.33Å; K330-A334 PolarHBondContact O-N 3.05Å; T331-A334 PolarHBondContact O-N 3.43Å; A334-T336 VanDerWaalsContact C-N 3.33Å; A334-Y341 HydrophobicContact CB-CD2 4.26Å
335	H	68.6	Low	57.8	Low	145 Å²	145	89.5 Å²	89.5	67%	0.671	45%	0.453	S	S	*	.	H	α-helix	trans	-72.4	-26.5	175.8	-76.9	83.1	0	0	0	113.2	T331 D332 I333	T331-H335 VanDerWaalsContact CG2-CE1 3.48Å; T331-H335 WeakPolarHBondContact CG2-CE1 3.25Å; T331-H335 PolarHBondContact O-N 3.42Å; T331-H335 PolarHBondContact O-ND1 3.27Å; D332-H335 PolarHBondContact O-N 3.45Å; I333-H335 VanDerWaalsContact C-N 3.3Å; I333-H335 PolarHBondContact O-N 3.41Å
336	T	62.7	Low	55.7	Low	38 Å²	38	97 Å²	97	23%	0.233	49%	0.489	C	S	.	.	H	α-helix	trans	-88.1	-28.5	-175.3	-41.7	0	0	0	0	112.1	L245 A249 L305 D332 I333 A334	L245-T336 HydrophobicContact CD1-CG2 4.2Å; L245-T336 HydrophobicContact CG-CG2 4.48Å; A249-T336 HydrophobicContact CB-CG2 3.72Å; L305-T336 HydrophobicContact CD1-CG2 4.38Å; L305-T336 HydrophobicContact CD2-CG2 3.77Å; D332-T336 PolarHBondContact O-N 3.49Å; D332-T336 VanDerWaalsContact O-N 3.16Å; D332-T336 PolarHBondContact O-OG1 2.91Å; I333-T336 PolarHBondContact O-N 3.41Å; I333-T336 VanDerWaalsContact O-N 3.11Å; A334-T336 VanDerWaalsContact C-N 3.33Å
337	N	55.3	Low	53.3	Low	28 Å²	28	103.1 Å²	103.1	15%	0.15	52%	0.52	C	S	.	.			trans	-136.9	84.1	-179.3	-125.1	-22	0	0	0	111.6	I333 S339 L340	I333-N337 PolarHBondContact O-N 3.11Å; I333-N337 VanDerWaalsContact O-N 3.1Å; N337-S339 PolarHBondContact O-N 3.15Å; N337-S339 VanDerWaalsContact O-N 3.09Å; N337-S339 PolarHBondContact OD1-OG 3.05Å; N337-L340 HydrophobicContact CB-CD1 4.26Å; N337-L340 PolarHBondContact O-N 3.29Å
338	P	40.3	Very low	51.1	Low	99 Å²	99	103.9 Å²	103.9	64%	0.643	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-20.3	179.9	-20.7	30.9	0	0	0	113.7
339	S	39.5	Very low	49	Very low	89 Å²	89	106.6 Å²	106.6	62%	0.622	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-23	-176.2	50.5	0	0	0	0	114.1	N337	N337-S339 PolarHBondContact O-N 3.15Å; N337-S339 VanDerWaalsContact O-N 3.09Å; N337-S339 PolarHBondContact OD1-OG 3.05Å
340	L	38.2	Very low	46.5	Very low	118 Å²	118	112.4 Å²	112.4	62%	0.618	58%	0.581	S	S	*	*	S	Bend	trans	-84.6	-17.5	-178.8	-76.7	170	0	0	0	113.9	N337	N337-L340 HydrophobicContact CB-CD1 4.26Å; N337-L340 PolarHBondContact O-N 3.29Å
341	Y	32.1	Very low	44.3	Very low	133 Å²	133	116 Å²	116	52%	0.522	60%	0.599	S	S	.	*	S	Bend	trans	-110.5	8.8	-175.4	-85.5	-87.5	0	0	0	115	I333 A334 N343	I333-Y341 HydrophobicContact CG2-CE2 4.32Å; A334-Y341 HydrophobicContact CB-CD2 4.26Å; Y341-N343 PolarHBondContact O-N 3.42Å
342	R	29.1	Very low	42.3	Very low	207 Å²	207	119 Å²	119	78%	0.781	62%	0.618	S	S	*	*			trans	-77	65.5	174.2	-169.3	-176.6	-93.7	177.8	-6.1	110.6
343	N	27.6	Very low	40.1	Very low	158 Å²	158	121.1 Å²	121.1	85%	0.845	64%	0.636	S	S	*	*	S	Bend	trans	-163.5	62.2	166.1	-90.6	-26.2	0	0	0	111.2	Y341	Y341-N343 PolarHBondContact O-N 3.42Å
344	R	27.4	Very low	37.9	Very low	234 Å²	234	126.1 Å²	126.1	88%	0.883	66%	0.662	S	S	*	*	S	Bend	trans	179	123.1	146.2	-107.8	174	-176.4	-151	-0.1	111.6
345	S	28.9	Very low	36	Very low	110 Å²	110	128 Å²	128	77%	0.769	68%	0.677	S	S	*	*			trans	71.6	102.9	152.5	-36.4	0	0	0	0	119.5
346	E	27.3	Very low	34.1	Very low	191 Å²	191	127 Å²	127	89%	0.893	68%	0.677	S	S	*	*			trans	2	118.9	144.6	-64	171.4	160	0	0	119.5
347	E	30.3	Very low	32.6	Very low	192 Å²	192	128.7 Å²	128.7	90%	0.897	69%	0.69	S	S	*	*				153.6	116.2	127.8	-84.5	-174.2	169.4	0	0	110.9
348	S	29.1	Very low	31.5	Very low	118 Å²	118	131 Å²	131	83%	0.825	71%	0.709	S	S	*	*			trans	-86.3	144.8	-180	53.6	0	0	0	0	112.8
349	P	31.9	Very low	31.1	Very low	116 Å²	116	129.1 Å²	129.1	75%	0.753	70%	0.701	S	S	*	*			trans	-142.4	136.9	133.3	27	-7	0	0	0	116.5
350	D	28.3	Very low	30.6	Very low	126 Å²	126	130.5 Å²	130.5	67%	0.674	70%	0.702	S	S	*	*			trans	38.9	102.2	154.7	-71.3	-19.5	0	0	0	122.4	T352	D350-T352 VanDerWaalsContact C-N 3.28Å; D350-T352 PolarHBondContact O-N 2.9Å; D350-T352 VanDerWaalsContact O-N 3.17Å
351	E	32.6	Very low	30.3	Very low	192 Å²	192	131.9 Å²	131.9	90%	0.897	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	-9.3	179.8	-68.4	-169.9	140.1	0	0	116.3
352	T	32.5	Very low	30.5	Very low	131 Å²	131	132 Å²	132	80%	0.804	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	-9.3	-172.4	14.8	0	0	0	0	114.9	D350	D350-T352 VanDerWaalsContact C-N 3.28Å; D350-T352 PolarHBondContact O-N 2.9Å; D350-T352 VanDerWaalsContact O-N 3.17Å
353	S	30	Very low	30.6	Very low	78 Å²	78	127.5 Å²	127.5	55%	0.545	71%	0.709	S	S	.	*	S	Bend	trans	-100	-19.4	-178.6	69.1	0	0	0	0	114.5
354	L	31.4	Very low	30.6	Very low	109 Å²	109	126.6 Å²	126.6	57%	0.571	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-77.5	-26.7	-174.5	-89	83.4	0	0	0	114.4	N356 S357 S358	L354-N356 PolarHBondContact O-N 2.78Å; L354-S357 PolarHBondContact O-N 3.08Å; L354-S358 PolarHBondContact O-OG 2.79Å
355	A	32.1	Very low	30.8	Very low	76 Å²	76	127.1 Å²	127.1	63%	0.628	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-66.2	-22.8	-175.8	0	0	0	0	0	114
356	N	29.7	Very low	30.9	Very low	124 Å²	124	129.9 Å²	129.9	66%	0.663	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-89.8	-15.2	-179.6	-74.7	-24.9	0	0	0	113.8	L354 N360	L354-N356 PolarHBondContact O-N 2.78Å; N356-N360 PolarHBondContact O-ND2 3.09Å
357	S	30.3	Very low	30.8	Very low	73 Å²	73	125.8 Å²	125.8	51%	0.51	70%	0.698	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.4	-26.6	177.6	-69.8	0	0	0	0	112.6	L354 A359 N360 L361	L354-S357 PolarHBondContact O-N 3.08Å; S357-A359 VanDerWaalsContact C-N 3.27Å; S357-A359 PolarHBondContact O-N 3.16Å; S357-N360 PolarHBondContact O-N 3.21Å; S357-L361 PolarHBondContact O-N 3.41Å
358	S	32.8	Very low	30.9	Very low	77 Å²	77	122.6 Å²	122.6	54%	0.538	69%	0.685	S	S	.	*	H	α-helix	trans	-64.6	-28	178.2	-42.7	0	0	0	0	113.4	L354 L362	L354-S358 PolarHBondContact O-OG 2.79Å; S358-L362 WeakPolarHBondContact O-CD1 3.48Å
359	A	31.5	Very low	31.1	Very low	59 Å²	59	120.3 Å²	120.3	49%	0.488	67%	0.673	S	S	.	*	H	α-helix	trans	-81.1	-24	178.5	0	0	0	0	0	113.6	S357	S357-A359 VanDerWaalsContact C-N 3.27Å; S357-A359 PolarHBondContact O-N 3.16Å
360	N	29.2	Very low	31.5	Very low	119 Å²	119	119.3 Å²	119.3	64%	0.636	66%	0.664	S	S	*	*	H	α-helix	trans	-94.1	-19.7	-172.8	-77	-45.9	0	0	0	114	N356 S357	N356-N360 PolarHBondContact O-ND2 3.09Å; S357-N360 PolarHBondContact O-N 3.21Å
361	L	32.6	Very low	32.1	Very low	146 Å²	146	114.4 Å²	114.4	76%	0.764	64%	0.64	S	S	*	*	H	α-helix	trans	-83.8	-19.8	174.2	-78.6	161.3	0	0	0	113.5	S357 L363	S357-L361 PolarHBondContact O-N 3.41Å; L361-L363 VanDerWaalsContact C-N 3.26Å; L361-L363 PolarHBondContact O-N 3.37Å
362	L	35.1	Very low	32.6	Very low	136 Å²	136	107.9 Å²	107.9	71%	0.712	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-13.1	178	-72.4	170.7	0	0	0	114	S358	S358-L362 WeakPolarHBondContact O-CD1 3.48Å
363	L	31.5	Very low	33	Very low	112 Å²	112	102.6 Å²	102.6	59%	0.586	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	-10.4	-176.8	-99.1	94.4	0	0	0	115.4	L361	L361-L363 VanDerWaalsContact C-N 3.26Å; L361-L363 PolarHBondContact O-N 3.37Å
364	N	28.7	Very low	33.5	Very low	139 Å²	139	98.9 Å²	98.9	74%	0.743	56%	0.555	S	S	*	*	S	Bend	trans	-124.4	16.8	-154.3	-113.7	-6.3	0	0	0	118.5
365	R	31.9	Very low	33.9	Very low	246 Å²	246	95 Å²	95	93%	0.928	54%	0.536	S	S	*	.			trans	-135.6	113	165.1	-86.3	-170.2	174.9	-158.5	-0.7	113
366	Q	30.1	Very low	34.7	Very low	167 Å²	167	92.8 Å²	92.8	78%	0.78	52%	0.521	S	S	*	.			trans	-72.1	116.5	170.9	-74	161.3	-14.9	0	0	110.6
367	C	25.6	Very low	35.2	Very low	105 Å²	105	90.9 Å²	90.9	71%	0.709	51%	0.507	S	S	*	.			trans	171.7	139.3	163.1	-102.2	0	0	0	0	107
368	M	31.1	Very low	35.7	Very low	126 Å²	126	88 Å²	88	62%	0.621	49%	0.486	S	S	*	.	S	Bend	cis	-154.6	149.6	1.4	-80	-117.6	-106.6	0	0	107.7
369	A	34.5	Very low	35.9	Very low	70 Å²	70	89.2 Å²	89.2	58%	0.579	48%	0.483	S	S	*	.			trans	68.3	95	173.3	0	0	0	0	0	118.4	S371 K509	A369-S371 PolarHBondContact O-N 3.05Å; A369-K509 VanDerWaalsContact CB-NZ 3.31Å
370	V	40.4	Very low	36	Very low	95 Å²	95	87.8 Å²	87.8	58%	0.576	47%	0.468	S	S	*	.			trans	-76.4	105.8	163.9	-177.4	0	0	0	0	108.6	A183 L372	A183-V370 HydrophobicContact CB-CB 3.99Å; A183-V370 HydrophobicContact CB-CG1 3.63Å; A183-V370 HydrophobicContact CB-CG2 4.25Å; V370-L372 PolarHBondContact O-N 3.49Å
371	S	40.9	Very low	35.9	Very low	23 Å²	23	87.1 Å²	87.1	16%	0.161	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-67.4	128.7	170.3	-65.6	0	0	0	0	110.2	A369 K509	A369-S371 PolarHBondContact O-N 3.05Å; S371-K509 WeakPolarHBondContact OG-CD 3.35Å; S371-K509 WeakPolarHBondContact OG-CG 3.47Å
372	L	42.3	Very low	35.5	Very low	54 Å²	54	85.6 Å²	85.6	28%	0.283	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-61.9	137.6	171.1	-70.9	169.6	0	0	0	110.1	W187 V370	W187-L372 VanDerWaalsContact CD1-CD1 3.49Å; W187-L372 HydrophobicContact CG-CD1 4.28Å; V370-L372 PolarHBondContact O-N 3.49Å
373	A	42.1	Very low	35.2	Very low	20 Å²	20	85 Å²	85	17%	0.165	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-77.3	127.8	171.5	0	0	0	0	0	109.4	R486 R488	A373-R486 HydrophobicContact CB-CB 4.1Å; A373-R486 WeakPolarHBondContact CB-O 3.47Å; A373-R488 HydrophobicContact CB-CG 4.27Å
374	V	40.5	Very low	34.9	Very low	1 Å²	1	84.3 Å²	84.3	1%	0.006	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.6	-175.3	-165.2	0	0	0	0	109.4	R486 A487 L510 I514 Y537 P540	V374-R486 CarbonylContact O-C 3.53Å; V374-R486 VanDerWaalsContact O-CA 3.26Å; V374-R486 WeakPolarHBondContact O-CA 3.43Å; V374-R486 PolarHBondContact O-N 3.38Å; V374-R486 VanDerWaalsContact O-N 3.13Å; V374-A487 PolarHBondContact N-O 3.44Å; V374-A487 PolarHBondContact O-N 3.4Å; V374-L510 HydrophobicContact CG2-CB 4.23Å; V374-I514 HydrophobicContact CG1-CD1 3.98Å; V374-I514 HydrophobicContact CG1-CG1 4.5Å; V374-I514 HydrophobicContact CG2-CD1 3.75Å; V374-Y537 HydrophobicContact CB-CE1 4.48Å; V374-Y537 HydrophobicContact CG1-CD1 4.47Å; V374-Y537 HydrophobicContact CG1-CE1 3.74Å; V374-P540 HydrophobicContact CG1-CB 4.43Å
375	S	39.6	Very low	34.7	Very low	26 Å²	26	81.9 Å²	81.9	18%	0.182	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	141.6	171.6	-62.8	0	0	0	0	110.2	L484 R486 V541	S375-L484 CarbonylContact C-O 3.46Å; S375-L484 VanDerWaalsContact CA-O 3.29Å; S375-L484 WeakPolarHBondContact CA-O 3.42Å; S375-R486 WeakPolarHBondContact OG-CG 3.47Å; S375-R486 PolarHBondContact OG-N 2.85Å; S375-R486 VanDerWaalsContact OG-N 3.1Å; S375-V541 PolarHBondContact N-O 2.92Å; S375-V541 VanDerWaalsContact N-O 3.1Å; S375-V541 PolarHBondContact O-N 3.36Å
376	G	47.9	Very low	34.5	Very low	30 Å²	30	72.3 Å²	72.3	31%	0.309	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	162	-176.9	-177.8	0	0	0	0	0	113	L484	G376-L484 PolarHBondContact N-O 3.47Å; G376-L484 CarbonylContact O-C 3.5Å; G376-L484 WeakPolarHBondContact O-CA 3.44Å; G376-L484 PolarHBondContact O-N 3.36Å
377	K	40.2	Very low	34.4	Very low	85 Å²	85	68.6 Å²	68.6	37%	0.37	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132	176.5	-149.4	-170.9	177.4	-173.7	0	109.3	E379 D483	K377-E379 WeakPolarHBondContact CD-OE2 3.5Å; K377-E379 VanDerWaalsContact CE-CD 3.43Å; K377-E379 WeakPolarHBondContact CE-OE1 3.43Å; K377-E379 WeakPolarHBondContact CE-OE2 3.37Å; K377-E379 IonicContact NZ-OE1 2.61Å; K377-E379 PolarHBondContact NZ-OE1 2.94Å; K377-E379 IonicContact NZ-OE2 3.31Å; K377-E379 PolarHBondContact NZ-OE2 3.49Å; K377-D483 WeakPolarHBondContact CE-OD1 3.39Å; K377-D483 WeakPolarHBondContact CG-OD1 3.39Å
378	L	41.7	Very low	34.8	Very low	13 Å²	13	64.5 Å²	64.5	7%	0.068	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	118.4	170.2	-138	108.9	0	0	0	104.8	V390 S481 I482 L484	L378-V390 HydrophobicContact CD2-CB 4.31Å; L378-V390 HydrophobicContact CD2-CG2 3.28Å; L378-V390 HydrophobicContact CG-CG2 4.37Å; L378-S481 CarbonylContact O-C 3.55Å; L378-S481 WeakPolarHBondContact O-CA 3.42Å; L378-S481 VanDerWaalsContact O-CB 3.26Å; L378-S481 WeakPolarHBondContact O-CB 3.33Å; L378-S481 PolarHBondContact O-OG 2.8Å; L378-I482 WeakPolarHBondContact CA-O 3.26Å; L378-I482 HydrophobicContact CB-CB 4.06Å; L378-I482 WeakPolarHBondContact CB-O 3.24Å; L378-I482 HydrophobicContact CD2-CB 4.1Å; L378-I482 HydrophobicContact CD2-CD1 4.1Å; L378-I482 HydrophobicContact CD2-CG1 4.29Å; L378-I482 PolarHBondContact N-O 2.88Å; L378-I482 PolarHBondContact O-N 3.24Å; L378-L484 HydrophobicContact CD1-CD1 3.98Å; L378-L484 HydrophobicContact CD1-CG 4.43Å
379	E	35.9	Very low	35.1	Very low	102 Å²	102	58.6 Å²	58.6	48%	0.477	36%	0.36	S	S	.	.			trans	-139.7	142.2	-172.7	-139.7	176.4	-170.2	0	0	112.7	K377 S481	K377-E379 WeakPolarHBondContact CD-OE2 3.5Å; K377-E379 VanDerWaalsContact CE-CD 3.43Å; K377-E379 WeakPolarHBondContact CE-OE1 3.43Å; K377-E379 WeakPolarHBondContact CE-OE2 3.37Å; K377-E379 IonicContact NZ-OE1 2.61Å; K377-E379 PolarHBondContact NZ-OE1 2.94Å; K377-E379 IonicContact NZ-OE2 3.31Å; K377-E379 PolarHBondContact NZ-OE2 3.49Å; E379-S481 WeakPolarHBondContact CA-OG 3.3Å; E379-S481 VanDerWaalsContact CG-OG 3.28Å; E379-S481 WeakPolarHBondContact CG-OG 3.39Å
380	V	34.7	Very low	35.7	Very low	29 Å²	29	55.4 Å²	55.4	18%	0.176	33%	0.334	C	S	.	.			trans	-150.1	125.6	-176.2	-162.6	0	0	0	0	115.2	S388 S389 R479 F480	V380-S388 VanDerWaalsContact CG1-O 3.32Å; V380-S388 WeakPolarHBondContact CG1-O 3.35Å; V380-S389 VanDerWaalsContact CG2-CA 3.48Å; V380-R479 HydrophobicContact CB-CB 3.98Å; V380-R479 HydrophobicContact CG1-CB 3.47Å; V380-R479 VanDerWaalsContact CG1-CB 3.47Å; V380-R479 VanDerWaalsContact CG1-CD 3.45Å; V380-R479 HydrophobicContact CG1-CG 3.66Å; V380-F480 WeakPolarHBondContact CG2-O 3.46Å
381	S	26.1	Very low	36.7	Very low	104 Å²	104	54 Å²	54	73%	0.727	32%	0.318	S	S	*	.			trans	-142	160.3	160	77.7	0	0	0	0	111.2
382	I	25.9	Very low	37.6	Very low	114 Å²	114	53 Å²	53	59%	0.585	31%	0.311	S	S	*	.			trans	-110.3	120.4	175.4	-65.6	165.4	0	0	0	108.1	R479	I382-R479 VanDerWaalsContact CG1-CZ 3.44Å
383	T	27	Very low	39	Very low	123 Å²	123	52 Å²	52	76%	0.755	31%	0.305	S	S	*	.	S	Bend	trans	-170.2	126.8	137.8	17.5	0	0	0	0	107.1
384	S	25.5	Very low	40.9	Very low	99 Å²	99	51 Å²	51	69%	0.692	30%	0.297	S	S	*	.	S	Bend	trans	8	121.3	179.5	61.8	0	0	0	0	119.1
385	L	25.4	Very low	43.1	Very low	88 Å²	88	51 Å²	51	46%	0.461	30%	0.297	S	S	.	.	S	Bend	trans	85	123.7	174.6	-59.9	144.8	0	0	0	115	M104	M104-L385 HydrophobicContact CE-CB 3.9Å; M104-L385 HydrophobicContact SD-CB 3.71Å
386	S	27.9	Very low	45.4	Very low	45 Å²	45	52.6 Å²	52.6	32%	0.315	30%	0.301	S	S	.	.			trans	70.9	124.7	-178.4	36.6	0	0	0	0	119.4	M104	M104-S386 VanDerWaalsContact CE-OG 3.29Å; M104-S386 WeakPolarHBondContact CE-OG 3.08Å; M104-S386 VanDerWaalsContact CG-CB 3.49Å; M104-S386 WeakPolarHBondContact SD-CA 3.38Å; M104-S386 WeakPolarHBondContact SD-CB 3.3Å; M104-S386 PolarHBondContact SD-N 3.16Å; M104-S386 PolarHBondContact SD-OG 3.45Å
387	V	26.7	Very low	47.3	Very low	88 Å²	88	54.6 Å²	54.6	53%	0.533	31%	0.311	S	S	.	.			trans	-110.7	128.5	-164.7	-175.5	0	0	0	0	111.2	R536	V387-R536 VanDerWaalsContact CG1-NH1 3.32Å
388	S	35.8	Very low	49.6	Very low	19 Å²	19	51 Å²	51	13%	0.133	30%	0.295	C	S	.	.			trans	-157.9	105	165.3	-61.9	0	0	0	0	108.8	V380 L538	V380-S388 VanDerWaalsContact CG1-O 3.32Å; V380-S388 WeakPolarHBondContact CG1-O 3.35Å; S388-L538 VanDerWaalsContact CB-CD1 3.43Å; S388-L538 WeakPolarHBondContact OG-CD1 3.33Å
389	S	36.6	Very low	51.7	Low	2 Å²	2	51.8 Å²	51.8	1%	0.014	30%	0.3	C	S	.	.			trans	-144.3	131.3	-175.5	56	0	0	0	0	116.3	V380	V380-S389 VanDerWaalsContact CG2-CA 3.48Å
390	V	47.8	Very low	54	Low	3 Å²	3	50.8 Å²	50.8	2%	0.018	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	115.5	144.3	173	0	0	0	0	107.3	L378 L456 R479 F480 E534 I535	L378-V390 HydrophobicContact CD2-CB 4.31Å; L378-V390 HydrophobicContact CD2-CG2 3.28Å; L378-V390 HydrophobicContact CG-CG2 4.37Å; V390-L456 HydrophobicContact CG1-CD2 4.49Å; V390-R479 WeakPolarHBondContact O-CA 3.38Å; V390-F480 PolarHBondContact O-N 3.35Å; V390-F480 VanDerWaalsContact O-N 3.17Å; V390-E534 CarbonylContact C-O 3.56Å; V390-E534 WeakPolarHBondContact CA-O 3.37Å; V390-I535 HydrophobicContact CG2-CB 4.45Å; V390-I535 HydrophobicContact CG2-CG1 4.4Å; V390-I535 HydrophobicContact CG2-CG2 4.13Å
391	R	60	Low	56.3	Low	66 Å²	66	55 Å²	55	25%	0.249	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	107.7	-178.4	-172.6	-174.9	-173.3	-163.4	-6.8	108.2	M393 D477 Q478 R479 A533 E534	R391-M393 HydrophobicContact CG-CG 4.12Å; R391-M393 PolarHBondContact O-N 3.36Å; R391-D477 IonicContact CZ-OD1 3.28Å; R391-D477 IonicContact CZ-OD2 3.6Å; R391-D477 IonicContact NE-OD1 3.52Å; R391-D477 PolarHBondContact NE-OD1 3.43Å; R391-D477 IonicContact NE-OD2 2.79Å; R391-D477 IonicContact NH2-OD1 3.08Å; R391-D477 PolarHBondContact NH2-OD1 3.49Å; R391-D477 IonicContact NH2-OD2 2.67Å; R391-D477 PolarHBondContact NH2-OD2 2.94Å; R391-Q478 CarbonylContact C-O 3.6Å; R391-Q478 WeakPolarHBondContact CA-O 3.42Å; R391-R479 HydrophobicContact CB-CG 4.3Å; R391-R479 HydrophobicContact CG-CG 4.31Å; R391-A533 CarbonylContact O-C 3.52Å; R391-A533 VanDerWaalsContact O-CA 3.24Å; R391-A533 WeakPolarHBondContact O-CA 3.46Å; R391-E534 HydrophobicContact CB-CB 3.86Å; R391-E534 PolarHBondContact N-O 2.93Å; R391-E534 PolarHBondContact O-N 3.35Å
392	L	60.4	Low	59	Low	3 Å²	3	50 Å²	50	2%	0.016	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	105.8	169.3	-67.3	-170.2	0	0	0	107.9	A454 L456 T466 W476 D477 Q478 F480 L531 A533	L392-A454 HydrophobicContact CD1-CB 4.12Å; L392-L456 HydrophobicContact CD1-CD1 3.68Å; L392-L456 HydrophobicContact CD1-CG 4.38Å; L392-T466 HydrophobicContact CD1-CG2 3.79Å; L392-W476 HydrophobicContact CB-CE3 4.24Å; L392-D477 VanDerWaalsContact O-CA 3.31Å; L392-D477 WeakPolarHBondContact O-CA 3.44Å; L392-D477 PolarHBondContact O-N 2.8Å; L392-D477 VanDerWaalsContact O-N 3.1Å; L392-Q478 PolarHBondContact N-O 2.98Å; L392-Q478 PolarHBondContact O-N 3.33Å; L392-F480 HydrophobicContact CD1-CD2 4.46Å; L392-F480 HydrophobicContact CD1-CE2 3.97Å; L392-F480 HydrophobicContact CG-CD2 4.46Å; L392-F480 HydrophobicContact CG-CE2 4.24Å; L392-L531 HydrophobicContact CD2-CD1 4.21Å; L392-L531 HydrophobicContact CD2-CD2 4.25Å; L392-L531 HydrophobicContact CD2-CG 4.49Å; L392-A533 HydrophobicContact CD2-CB 3.62Å
393	M	71.2	Confident	61.3	Low	32 Å²	32	48.5 Å²	48.5	16%	0.158	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-54	179.7	-67.2	-170.7	-59.6	0	0	109.9	R391 Q473 Q474 A475 W476 D477 F532	R391-M393 HydrophobicContact CG-CG 4.12Å; R391-M393 PolarHBondContact O-N 3.36Å; M393-Q473 CarbonylContact C-O 3.59Å; M393-Q474 CarbonylContact O-C 3.52Å; M393-Q474 WeakPolarHBondContact O-CA 3.26Å; M393-Q474 PolarHBondContact SD-NE2 3.26Å; M393-Q474 VanDerWaalsContact SD-NE2 3.39Å; M393-A475 PolarHBondContact O-N 2.93Å; M393-W476 PolarHBondContact O-N 3.34Å; M393-D477 PolarHBondContact O-N 3.41Å; M393-F532 HydrophobicContact CB-CB 3.95Å; M393-F532 HydrophobicContact CE-CB 3.77Å; M393-F532 PolarHBondContact N-O 2.6Å
394	G	81.8	Confident	63.3	Low	0 Å²	0	45.6 Å²	45.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.5	-168.2	-177.7	0	0	0	0	0	112.9	S472 Q473 F532	G394-S472 WeakPolarHBondContact CA-O 3.41Å; G394-Q473 WeakPolarHBondContact CA-O 3.45Å; G394-Q473 PolarHBondContact N-O 2.93Å; G394-F532 PolarHBondContact O-N 2.96Å
395	C	86.3	Confident	65.8	Low	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	157.6	-179.4	-72.1	0	0	0	0	111.2	L398 I452 L471 S472 W476 T530 L531	C395-L398 HydrophobicContact CB-CD1 3.94Å; C395-L398 HydrophobicContact CB-CD2 4.13Å; C395-L398 HydrophobicContact CB-CG 4.12Å; C395-I452 HydrophobicContact CB-CD1 3.9Å; C395-L471 HydrophobicContact CB-CD1 4.18Å; C395-L471 VanDerWaalsContact O-CD1 3.32Å; C395-L471 WeakPolarHBondContact O-CD1 3.05Å; C395-S472 PolarHBondContact N-O 2.67Å; C395-S472 CarbonylContact O-C 3.53Å; C395-W476 HydrophobicContact CB-CH2 4.41Å; C395-W476 VanDerWaalsContact SG-CH2 3.57Å; C395-T530 CarbonylContact C-O 3.37Å; C395-T530 VanDerWaalsContact CA-O 3.29Å; C395-T530 WeakPolarHBondContact CA-O 3.49Å; C395-L531 VanDerWaalsContact SG-CD1 3.52Å
396	Q	88.4	Confident	67.8	Low	59 Å²	59	40.2 Å²	40.2	28%	0.276	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	161	167.9	71	-178.5	7.8	0	0	111.7	L398 Q473 G529 T530 F532	Q396-L398 VanDerWaalsContact C-N 3.26Å; Q396-L398 PolarHBondContact O-N 3.33Å; Q396-Q473 HydrophobicContact CB-CG 4.35Å; Q396-G529 CarbonylContact O-C 3.17Å; Q396-G529 VanDerWaalsContact O-CA 3.25Å; Q396-G529 WeakPolarHBondContact O-CA 3.09Å; Q396-T530 PolarHBondContact N-O 3.43Å; Q396-T530 PolarHBondContact O-N 3.06Å; Q396-F532 HydrophobicContact CB-CE2 4.17Å; Q396-F532 HydrophobicContact CG-CE2 3.68Å; Q396-F532 HydrophobicContact CG-CZ 4.12Å
397	S	87.7	Confident	69.3	Low	73 Å²	73	43.9 Å²	43.9	51%	0.51	26%	0.259	S	S	.	.	S	Bend	trans	56.9	35.7	172.4	-52.6	0	0	0	0	114	Q528 G529	S397-Q528 WeakPolarHBondContact O-CG 3.48Å; S397-Q528 PolarHBondContact O-NE2 3.49Å; S397-G529 WeakPolarHBondContact O-CA 3.45Å
398	L	88.2	Confident	70.5	Confident	8 Å²	8	45.1 Å²	45.1	4%	0.042	26%	0.262	C	S	.	.			trans	-69.7	155.4	176.8	-62	178.6	0	0	0	111.6	C395 Q396 T400 I452 L471 V494 W496 A504 L525	C395-L398 HydrophobicContact CB-CD1 3.94Å; C395-L398 HydrophobicContact CB-CD2 4.13Å; C395-L398 HydrophobicContact CB-CG 4.12Å; Q396-L398 VanDerWaalsContact C-N 3.26Å; Q396-L398 PolarHBondContact O-N 3.33Å; L398-T400 PolarHBondContact O-N 3.01Å; L398-I452 HydrophobicContact CD1-CD1 4.04Å; L398-I452 HydrophobicContact CD1-CG2 3.99Å; L398-L471 HydrophobicContact CD1-CD1 3.78Å; L398-L471 HydrophobicContact CG-CD1 4.15Å; L398-V494 HydrophobicContact CD1-CG1 3.75Å; L398-V494 HydrophobicContact CD2-CG1 4.34Å; L398-W496 HydrophobicContact CB-CZ2 4.31Å; L398-A504 HydrophobicContact CD2-CB 3.93Å; L398-L525 HydrophobicContact CD2-CD1 3.63Å
399	L	86.7	Confident	71.2	Confident	30 Å²	30	47 Å²	47	16%	0.157	29%	0.285	C	S	.	.			trans	-69	121.7	174.4	-171.1	65.5	0	0	0	110	L307 I310 D401 I402 W496 P527	L307-L399 HydrophobicContact CD2-CD2 4.5Å; I310-L399 HydrophobicContact CD1-CD2 4.45Å; L399-D401 WeakPolarHBondContact CG-O 3.41Å; L399-I402 HydrophobicContact CD2-CG1 3.99Å; L399-I402 HydrophobicContact CG-CG1 4.15Å; L399-W496 PolarHBondContact O-NE1 3.49Å; L399-P527 HydrophobicContact CD2-CG 4.05Å
400	T	83.9	Confident	71.6	Confident	82 Å²	82	50.2 Å²	50.2	50%	0.503	31%	0.308	S	S	.	.	S	Bend	trans	-95.7	-37	-179.8	47.4	0	0	0	0	112.8	L398 W496 R500	L398-T400 PolarHBondContact O-N 3.01Å; T400-W496 HydrophobicContact CG2-CH2 4.36Å; T400-W496 HydrophobicContact CG2-CZ2 3.78Å; T400-R500 WeakPolarHBondContact O-CD 3.3Å
401	D	82.4	Confident	71.3	Confident	117 Å²	117	52.1 Å²	52.1	63%	0.626	33%	0.328	S	S	*	.	S	Bend	trans	-104.2	109.7	176.4	-172	18.1	0	0	0	109.4	L399	L399-D401 WeakPolarHBondContact CG-O 3.41Å
402	I	82.7	Confident	70.4	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	34%	0.336	C	S	.	.			trans	-106.8	112.7	-175.3	-58.8	168.5	0	0	0	108.2	L399 G404 R405 R500 C503	L399-I402 HydrophobicContact CD2-CG1 3.99Å; L399-I402 HydrophobicContact CG-CG1 4.15Å; I402-G404 PolarHBondContact O-N 3.24Å; I402-R405 HydrophobicContact CB-CG 4.44Å; I402-R405 HydrophobicContact CG2-CG 4.13Å; I402-R405 PolarHBondContact O-N 3.03Å; I402-R405 VanDerWaalsContact O-N 3.15Å; I402-R500 HydrophobicContact CD1-CB 4.05Å; I402-R500 WeakPolarHBondContact CD1-O 3.31Å; I402-C503 HydrophobicContact CD1-CB 3.85Å
403	P	75.4	Confident	69.1	Low	81 Å²	81	59.6 Å²	59.6	53%	0.526	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	132.3	-179.9	-28.3	34.1	0	0	0	112.9	I310 R405	I310-P403 HydrophobicContact CD1-CG 4.09Å; P403-R405 VanDerWaalsContact C-N 3.35Å
404	G	68.9	Low	67.5	Low	62 Å²	62	63.3 Å²	63.3	64%	0.639	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.8	-4.8	178.6	0	0	0	0	0	115.4	I402	I402-G404 PolarHBondContact O-N 3.24Å
405	R	77	Confident	65	Low	12 Å²	12	70.8 Å²	70.8	5%	0.045	43%	0.433	C	S	.	.			trans	-106.3	136.2	175.2	-56.3	-173.2	-174.6	162.5	13.1	109.6	D303 D306 I402 P403 W499 R500 M502	D303-R405 VanDerWaalsContact CG-NH2 3.34Å; D303-R405 PolarHBondContact O-NH2 3.26Å; D303-R405 IonicContact OD1-CZ 3.25Å; D303-R405 IonicContact OD1-NE 3.99Å; D303-R405 IonicContact OD1-NH1 2.98Å; D303-R405 IonicContact OD1-NH2 2.7Å; D303-R405 PolarHBondContact OD1-NH2 3.48Å; D306-R405 IonicContact OD2-NH2 3.97Å; I402-R405 HydrophobicContact CB-CG 4.44Å; I402-R405 HydrophobicContact CG2-CG 4.13Å; I402-R405 PolarHBondContact O-N 3.03Å; I402-R405 VanDerWaalsContact O-N 3.15Å; P403-R405 VanDerWaalsContact C-N 3.35Å; R405-W499 VanDerWaalsContact C-CZ3 3.48Å; R405-W499 HydrophobicContact CB-CE3 4.14Å; R405-W499 HydrophobicContact CB-CZ3 4Å; R405-W499 VanDerWaalsContact O-CZ3 3.27Å; R405-W499 WeakPolarHBondContact O-CZ3 3.17Å; R405-R500 WeakPolarHBondContact CD-O 3.26Å; R405-R500 PolarHBondContact NH1-O 3.47Å; R405-M502 PolarHBondContact NH1-O 2.94Å
406	T	67.5	Low	62.2	Low	63 Å²	63	74 Å²	74	39%	0.387	47%	0.466	S	S	.	.			trans	-141.4	148.2	-179.6	53.7	0	0	0	0	110.6	D408 G409 W499	T406-D408 WeakPolarHBondContact CB-OD1 3.44Å; T406-D408 PolarHBondContact O-N 2.8Å; T406-D408 VanDerWaalsContact O-N 3.11Å; T406-D408 PolarHBondContact OG1-OD1 3.38Å; T406-G409 PolarHBondContact O-N 2.93Å; T406-W499 VanDerWaalsContact C-CE3 3.49Å
407	M	60.7	Low	59.3	Low	122 Å²	122	73.9 Å²	73.9	60%	0.601	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-30.6	-179.5	-106.2	-76.6	-174.6	0	0	113.8	G409 L449 W499	M407-G409 VanDerWaalsContact C-N 3.27Å; M407-G409 PolarHBondContact O-N 3.24Å; M407-L449 HydrophobicContact CE-CD2 3.76Å; M407-W499 HydrophobicContact CB-CD2 4.5Å; M407-W499 VanDerWaalsContact CE-CD1 3.43Å; M407-W499 HydrophobicContact CG-CD2 4.09Å; M407-W499 HydrophobicContact CG-CG 4.11Å; M407-W499 HydrophobicContact CG-CZ2 4.14Å; M407-W499 HydrophobicContact SD-CG 4.11Å
408	D	52.1	Low	56.3	Low	113 Å²	113	78.1 Å²	78.1	60%	0.604	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	0.2	-177	62.7	-23.5	0	0	0	113.7	T406 S410	T406-D408 WeakPolarHBondContact CB-OD1 3.44Å; T406-D408 PolarHBondContact O-N 2.8Å; T406-D408 VanDerWaalsContact O-N 3.11Å; T406-D408 PolarHBondContact OG1-OD1 3.38Å; D408-S410 PolarHBondContact O-N 3.26Å; D408-S410 PolarHBondContact OD1-OG 3.29Å; D408-S410 VanDerWaalsContact OD1-OG 3.1Å; D408-S410 WeakPolarHBondContact OD2-CB 3.26Å; D408-S410 PolarHBondContact OD2-OG 2.96Å
409	G	50.5	Low	53.5	Low	60 Å²	60	84.8 Å²	84.8	62%	0.619	52%	0.523	S	S	*	.	S	Bend	trans	64.1	9.1	176.1	0	0	0	0	0	114.4	T406 M407 G411	T406-G409 PolarHBondContact O-N 2.93Å; M407-G409 VanDerWaalsContact C-N 3.27Å; M407-G409 PolarHBondContact O-N 3.24Å; G409-G411 VanDerWaalsContact C-N 3.34Å
410	S	43.7	Very low	50.5	Low	69 Å²	69	91.4 Å²	91.4	48%	0.483	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.1	-11.1	-174.9	66.6	0	0	0	0	113.4	D408 Y412	D408-S410 PolarHBondContact O-N 3.26Å; D408-S410 PolarHBondContact OD1-OG 3.29Å; D408-S410 VanDerWaalsContact OD1-OG 3.1Å; D408-S410 WeakPolarHBondContact OD2-CB 3.26Å; D408-S410 PolarHBondContact OD2-OG 2.96Å; S410-Y412 VanDerWaalsContact C-N 3.29Å; S410-Y412 PolarHBondContact O-N 3.42Å
411	G	41	Very low	48.1	Very low	43 Å²	43	93.8 Å²	93.8	44%	0.443	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.1	-15.6	-176.3	0	0	0	0	0	116.4	G409 S413	G409-G411 VanDerWaalsContact C-N 3.34Å; G411-S413 PolarHBondContact O-N 2.98Å
412	Y	42.8	Very low	45.4	Very low	109 Å²	109	98.6 Å²	98.6	43%	0.427	58%	0.582	S	S	.	*			trans	-95.8	58.7	175.6	-69.7	-79.5	0	0	0	112	Q302 D303 S410 I414	Q302-Y412 HydrophobicContact CG-CE1 4.02Å; D303-Y412 PolarHBondContact OD1-OH 3.21Å; S410-Y412 VanDerWaalsContact C-N 3.29Å; S410-Y412 PolarHBondContact O-N 3.42Å; Y412-I414 PolarHBondContact O-N 3.01Å
413	S	32.3	Very low	42.7	Very low	116 Å²	116	108.8 Å²	108.8	81%	0.811	63%	0.627	S	S	*	*			trans	-86.6	86.7	172.5	-139.9	0	0	0	0	109.5	G411 D415	G411-S413 PolarHBondContact O-N 2.98Å; S413-D415 PolarHBondContact O-N 3.4Å
414	I	36.9	Very low	40.5	Very low	110 Å²	110	110 Å²	110	56%	0.564	64%	0.637	S	S	*	*			trans	-74.6	112.3	166.4	-63.9	179.4	0	0	0	107.4	Y412 G416	Y412-I414 PolarHBondContact O-N 3.01Å; I414-G416 PolarHBondContact O-N 3.26Å; I414-G416 VanDerWaalsContact O-N 3.16Å
415	D	29.7	Very low	38.5	Very low	157 Å²	157	117 Å²	117	84%	0.84	65%	0.65	S	S	*	*	S	Bend	trans	-57	113.5	168.5	-150.7	3.1	0	0	0	108.8	S413	S413-D415 PolarHBondContact O-N 3.4Å
416	G	27.9	Very low	36.2	Very low	67 Å²	67	121.4 Å²	121.4	69%	0.691	68%	0.683	S	S	*	*	S	Bend	trans	117.8	78.2	176.7	0	0	0	0	0	116.8	I414	I414-G416 PolarHBondContact O-N 3.26Å; I414-G416 VanDerWaalsContact O-N 3.16Å
417	G	26.2	Very low	34.4	Very low	58 Å²	58	124.8 Å²	124.8	60%	0.598	70%	0.703	S	S	*	*	S	Bend	trans	91.6	94.2	144.1	0	0	0	0	0	119.4
418	L	26.7	Very low	32.9	Very low	162 Å²	162	123.9 Å²	123.9	85%	0.848	71%	0.709	S	S	*	*			trans	45.6	93.4	151	-77.4	94.1	0	0	0	119.5
419	Y	28.5	Very low	31.9	Very low	147 Å²	147	123.3 Å²	123.3	58%	0.576	71%	0.713	S	S	*	*			trans	-163.2	91.6	136.5	41.1	-90.9	0	0	0	113.7	V421	Y419-V421 PolarHBondContact O-N 2.67Å
420	N	24.6	Very low	30.9	Very low	169 Å²	169	132.3 Å²	132.3	90%	0.904	73%	0.729	S	S	*	*			trans	-79.4	107.3	156	-93.4	-27.7	0	0	0	108.3
421	V	31.6	Very low	30.3	Very low	132 Å²	132	133.6 Å²	133.6	80%	0.8	74%	0.743	S	S	*	*			trans	-108.4	90.7	165.8	-178.3	0	0	0	0	108.5	Y419 K423	Y419-V421 PolarHBondContact O-N 2.67Å; V421-K423 PolarHBondContact O-N 3.42Å
422	R	26.9	Very low	29.9	Very low	219 Å²	219	136.9 Å²	136.9	83%	0.826	76%	0.76	S	S	*	*			trans	-54.2	134.5	159.2	-76.5	178.2	172.4	171.7	-3.1	108.4	S424	R422-S424 VanDerWaalsContact C-N 3.3Å; R422-S424 PolarHBondContact O-N 3.37Å; R422-S424 PolarHBondContact O-OG 2.97Å
423	K	26.8	Very low	29.4	Very low	213 Å²	213	137.1 Å²	137.1	93%	0.926	77%	0.772	S	S	*	*			trans	-51.8	91.2	167.7	-78	178	175.6	173.6	0	109.5	V421	V421-K423 PolarHBondContact O-N 3.42Å
424	S	27.8	Very low	29.5	Very low	107 Å²	107	143.2 Å²	143.2	75%	0.748	78%	0.779	S	S	*	*			trans	-92.4	104.5	173.3	-66.9	0	0	0	0	108.8	R422 S426	R422-S424 VanDerWaalsContact C-N 3.3Å; R422-S424 PolarHBondContact O-N 3.37Å; R422-S424 PolarHBondContact O-OG 2.97Å; S424-S426 PolarHBondContact O-N 3.49Å
425	K	27.2	Very low	29	Very low	208 Å²	208	147 Å²	147	90%	0.904	79%	0.792	S	S	*	*			trans	-54.7	120.6	161	-67	172.3	173.6	174.7	0	109.2
426	S	28	Very low	29.1	Very low	105 Å²	105	146.5 Å²	146.5	73%	0.734	79%	0.794	S	S	*	*			trans	-172.5	120.2	143.7	57.2	0	0	0	0	114.5	S424	S424-S426 PolarHBondContact O-N 3.49Å
427	V	30.3	Very low	29.2	Very low	135 Å²	135	152.4 Å²	152.4	82%	0.818	80%	0.801	S	S	*	*			trans	78.7	94.8	130.6	-172.2	0	0	0	0	120.1
428	S	28.8	Very low	29.4	Very low	103 Å²	103	156.2 Å²	156.2	72%	0.72	81%	0.808	S	S	*	*				69	115.4	122.3	-162.1	0	0	0	0	120.8
429	S	31.2	Very low	29.5	Very low	100 Å²	100	155.5 Å²	155.5	70%	0.699	80%	0.804	S	S	*	*				-179.4	117.8	97.5	30.9	0	0	0	0	114.2
430	R	30.1	Very low	29.7	Very low	249 Å²	249	155.4 Å²	155.4	94%	0.94	81%	0.813	S	S	*	*			trans	56.2	128.5	143	-64.1	174.1	171.8	145.9	-3.4	118.6
431	A	30.6	Very low	30	Very low	96 Å²	96	151.2 Å²	151.2	79%	0.793	80%	0.797	S	S	*	*			cis	-169.6	153.9	16	0	0	0	0	0	113.5
432	S	33.6	Very low	30.3	Very low	112 Å²	112	149.9 Å²	149.9	78%	0.783	80%	0.8	S	S	*	*			trans	73.1	100.4	156.5	-179.2	0	0	0	0	118.9
433	V	31.9	Very low	30.7	Very low	115 Å²	115	146.5 Å²	146.5	70%	0.697	80%	0.797	S	S	*	*			cis	70.3	103.1	32.7	-171.3	0	0	0	0	116.4	K435	V433-K435 HydrophobicContact CG1-CG 4.21Å
434	Y	33.2	Very low	31.3	Very low	244 Å²	244	140.3 Å²	140.3	96%	0.957	78%	0.775	S	S	*	*			trans	-92.9	133.3	133.3	-76.7	-79.5	0	0	0	108.7
435	K	27.8	Very low	32	Very low	189 Å²	189	144.2 Å²	144.2	82%	0.822	78%	0.781	S	S	*	*			trans	-73.9	140.2	-172.8	-74.5	169.8	170.4	172.8	0	112.2	V433	V433-K435 HydrophobicContact CG1-CG 4.21Å
436	V	30.7	Very low	32.7	Very low	147 Å²	147	142.3 Å²	142.3	89%	0.891	77%	0.773	S	S	*	*			trans	-124.8	135.2	140.6	178.9	0	0	0	0	107.7
437	K	30.6	Very low	33.5	Very low	190 Å²	190	142.5 Å²	142.5	83%	0.826	77%	0.765	S	S	*	*			trans	-86.7	141.2	-165.2	-177	174.7	176.9	-179.5	0	110.2
438	D	31	Very low	34.5	Very low	139 Å²	139	143.3 Å²	143.3	74%	0.743	75%	0.753	S	S	*	*			trans	-50.4	137	177.1	-58.9	-63.6	0	0	0	113.6
439	N	28.7	Very low	35.9	Very low	146 Å²	146	141.4 Å²	141.4	78%	0.781	74%	0.735	S	S	*	*			trans	156.6	108.8	138.5	-79.2	-26.9	0	0	0	105.4
440	L	32.6	Very low	38.1	Very low	146 Å²	146	141.2 Å²	141.2	76%	0.764	73%	0.726	S	S	*	*			trans	-172.6	139.4	133.4	-113.6	83.3	0	0	0	110.6
441	S	30.5	Very low	40.9	Very low	81 Å²	81	130.8 Å²	130.8	57%	0.566	69%	0.688	S	S	*	*			trans	-50.3	160	-178.1	33.9	0	0	0	0	116.3	L443	S441-L443 PolarHBondContact O-N 2.89Å
442	A	38.2	Very low	43.9	Very low	104 Å²	104	126.2 Å²	126.2	86%	0.86	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	36.5	-180	0	0	0	0	0	117.2
443	L	35.9	Very low	46.7	Very low	147 Å²	147	123 Å²	123	77%	0.77	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.6	-7	172.2	-80.6	157	0	0	0	112.7	S441	S441-L443 PolarHBondContact O-N 2.89Å
444	D	37.7	Very low	49.6	Very low	84 Å²	84	117.6 Å²	117.6	45%	0.449	59%	0.588	S	S	.	*	G	3₁₀ helix	trans	-87.2	-3.6	-178.8	-91.7	3.4	0	0	0	115	F446 I447	D444-F446 PolarHBondContact O-N 3.13Å; D444-F446 VanDerWaalsContact O-N 3.12Å; D444-I447 HydrophobicContact CB-CD1 4.41Å; D444-I447 PolarHBondContact O-N 2.93Å; D444-I447 WeakPolarHBondContact OD1-CD1 3.42Å
445	E	42.5	Very low	52.4	Low	189 Å²	189	106.1 Å²	106.1	88%	0.883	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-69.7	-4.4	177.5	-106.9	-178.4	172.5	0	0	113.6
446	F	42.2	Very low	55.3	Low	167 Å²	167	97.2 Å²	97.2	73%	0.732	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-101	-3.3	-179.5	-124	-93.9	0	0	0	114.9	D444 L449	D444-F446 PolarHBondContact O-N 3.13Å; D444-F446 VanDerWaalsContact O-N 3.12Å; F446-L449 HydrophobicContact CD1-CD1 3.71Å; F446-L449 HydrophobicContact CE1-CD1 3.79Å; F446-L449 HydrophobicContact CG-CD1 4.23Å; F446-L449 HydrophobicContact CZ-CD1 4.37Å
447	I	45.3	Very low	58.1	Low	110 Å²	110	92.1 Å²	92.1	56%	0.564	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-15.5	-164.7	-62.1	-178	0	0	0	114	D444	D444-I447 HydrophobicContact CB-CD1 4.41Å; D444-I447 PolarHBondContact O-N 2.93Å; D444-I447 WeakPolarHBondContact OD1-CD1 3.42Å
448	W	52.3	Low	60.5	Low	151 Å²	151	83.8 Å²	83.8	57%	0.572	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	7.4	-173.4	-57.6	98.1	0	0	0	115.2	D450 E451	W448-D450 VanDerWaalsContact C-N 3.31Å; W448-D450 PolarHBondContact O-N 2.73Å; W448-D450 VanDerWaalsContact O-N 3.12Å; W448-E451 VanDerWaalsContact CE3-CD 3.48Å; W448-E451 WeakPolarHBondContact CZ3-OE1 3.04Å; W448-E451 WeakPolarHBondContact CZ3-OE2 3.48Å
449	L	56.9	Low	62.6	Low	64 Å²	64	81 Å²	81	34%	0.335	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-2.2	-160.3	-85.1	162	0	0	0	117.1	M407 F446 R500	M407-L449 HydrophobicContact CE-CD2 3.76Å; F446-L449 HydrophobicContact CD1-CD1 3.71Å; F446-L449 HydrophobicContact CE1-CD1 3.79Å; F446-L449 HydrophobicContact CG-CD1 4.23Å; F446-L449 HydrophobicContact CZ-CD1 4.37Å; L449-R500 PolarHBondContact O-NH2 3.44Å
450	D	77.8	Confident	65.1	Low	96 Å²	96	76 Å²	76	51%	0.513	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149	34.8	179.6	-82.2	-40.2	0	0	0	114.2	W448 L471 W496 R500	W448-D450 VanDerWaalsContact C-N 3.31Å; W448-D450 PolarHBondContact O-N 2.73Å; W448-D450 VanDerWaalsContact O-N 3.12Å; D450-L471 PolarHBondContact O-N 3.31Å; D450-W496 HydrophobicContact CB-CZ3 4.21Å; D450-R500 IonicContact OD1-CZ 2.71Å; D450-R500 IonicContact OD1-NH1 2.79Å; D450-R500 PolarHBondContact OD1-NH1 3.46Å; D450-R500 IonicContact OD1-NH2 3.07Å; D450-R500 PolarHBondContact OD1-NH2 3.4Å
451	E	89.6	Confident	67.3	Low	29 Å²	29	78.4 Å²	78.4	14%	0.136	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	147.1	171.3	-65.5	-173.4	158.9	0	0	112.5	W448 P468 K469 N497	W448-E451 VanDerWaalsContact CE3-CD 3.48Å; W448-E451 WeakPolarHBondContact CZ3-OE1 3.04Å; W448-E451 WeakPolarHBondContact CZ3-OE2 3.48Å; E451-P468 HydrophobicContact CB-CB 4.25Å; E451-P468 VanDerWaalsContact OE2-CB 3.25Å; E451-P468 WeakPolarHBondContact OE2-CB 3.41Å; E451-K469 CarbonylContact C-O 3.54Å; E451-K469 WeakPolarHBondContact CA-O 3.16Å; E451-N497 HydrophobicContact CB-CB 3.84Å; E451-N497 WeakPolarHBondContact O-CB 3.46Å; E451-N497 PolarHBondContact O-N 2.94Å; E451-N497 PolarHBondContact OE2-ND2 3.43Å
452	I	92.1	Very high	70	Confident	0 Å²	0	79.4 Å²	79.4	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	151.9	176	58.6	160.2	0	0	0	111.3	C395 L398 P468 K469 L471 A475 W476 Y495 W496	C395-I452 HydrophobicContact CB-CD1 3.9Å; L398-I452 HydrophobicContact CD1-CD1 4.04Å; L398-I452 HydrophobicContact CD1-CG2 3.99Å; I452-P468 WeakPolarHBondContact O-CA 3.47Å; I452-K469 WeakPolarHBondContact CG1-O 3.38Å; I452-K469 PolarHBondContact N-O 2.98Å; I452-K469 PolarHBondContact O-N 3.36Å; I452-L471 HydrophobicContact CD1-CB 4.41Å; I452-L471 HydrophobicContact CD1-CD1 3.6Å; I452-L471 HydrophobicContact CG1-CB 4.5Å; I452-A475 HydrophobicContact CD1-CB 4.41Å; I452-W476 HydrophobicContact CB-CZ2 4.28Å; I452-W476 HydrophobicContact CD1-CH2 3.71Å; I452-W476 HydrophobicContact CD1-CZ2 3.57Å; I452-W476 HydrophobicContact CG1-CH2 4.37Å; I452-W476 HydrophobicContact CG1-CZ2 3.73Å; I452-W476 PolarHBondContact O-NE1 3.15Å; I452-Y495 CarbonylContact C-O 3.57Å; I452-Y495 WeakPolarHBondContact CA-O 3.44Å; I452-W496 HydrophobicContact CG2-CD2 3.83Å; I452-W496 HydrophobicContact CG2-CE3 3.43Å; I452-W496 VanDerWaalsContact CG2-CE3 3.43Å; I452-W496 HydrophobicContact CG2-CH2 4.17Å; I452-W496 HydrophobicContact CG2-CZ2 4.49Å; I452-W496 HydrophobicContact CG2-CZ3 3.63Å
453	Y	93.1	Very high	72.1	Confident	46 Å²	46	77.4 Å²	77.4	18%	0.18	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	157.3	170.4	68.2	-81.9	0	0	0	110.9	V455 E465 T466 V494 Y495 N497	Y453-V455 HydrophobicContact CD2-CG2 4.12Å; Y453-V455 HydrophobicContact CE2-CG2 3.92Å; Y453-E465 HydrophobicContact CD2-CG 4.28Å; Y453-E465 WeakPolarHBondContact CE2-OE1 3.3Å; Y453-T466 WeakPolarHBondContact CA-OG1 3.44Å; Y453-V494 WeakPolarHBondContact O-CA 3.43Å; Y453-Y495 HydrophobicContact CD2-CD2 4.23Å; Y453-Y495 HydrophobicContact CE1-CG 4.11Å; Y453-Y495 AromaticContact CE2-CD2 3.69Å; Y453-Y495 HydrophobicContact CE2-CD2 3.69Å; Y453-Y495 HydrophobicContact CE2-CE2 4.38Å; Y453-Y495 AromaticContact CE2-CG 3.82Å; Y453-Y495 HydrophobicContact CE2-CG 3.82Å; Y453-Y495 AromaticContact CZ-CD2 3.96Å; Y453-Y495 AromaticContact CZ-CG 3.56Å; Y453-Y495 PolarHBondContact N-O 3.44Å; Y453-Y495 PolarHBondContact O-N 3.2Å; Y453-N497 HydrophobicContact CD1-CB 4.4Å
454	A	92.9	Very high	74.5	Confident	0 Å²	0	71 Å²	71	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	143.7	179.2	0	0	0	0	0	111.3	L392 E465 T466 W476 V492 N493 V494	L392-A454 HydrophobicContact CD1-CB 4.12Å; A454-E465 CarbonylContact O-C 3.55Å; A454-E465 VanDerWaalsContact O-CA 3.28Å; A454-E465 WeakPolarHBondContact O-CA 3.47Å; A454-T466 HydrophobicContact CB-CG2 4.02Å; A454-T466 PolarHBondContact N-OG1 3.09Å; A454-T466 PolarHBondContact O-N 2.89Å; A454-W476 HydrophobicContact CB-CH2 3.9Å; A454-W476 HydrophobicContact CB-CZ2 4.2Å; A454-W476 HydrophobicContact CB-CZ3 4.25Å; A454-V492 HydrophobicContact CB-CG1 4.36Å; A454-N493 CarbonylContact C-O 3.38Å; A454-N493 WeakPolarHBondContact CA-O 3.4Å; A454-V494 HydrophobicContact CB-CG2 4.46Å
455	V	91.6	Very high	77	Confident	4 Å²	4	71.2 Å²	71.2	2%	0.024	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	126.7	177	178.2	0	0	0	0	108.9	Y453 R457 K462 E465 V492 N493 Y495	Y453-V455 HydrophobicContact CD2-CG2 4.12Å; Y453-V455 HydrophobicContact CE2-CG2 3.92Å; V455-R457 HydrophobicContact CG1-CG 4.49Å; V455-K462 HydrophobicContact CG1-CD 3.69Å; V455-K462 HydrophobicContact CG1-CG 3.77Å; V455-E465 HydrophobicContact CG2-CG 4.23Å; V455-V492 WeakPolarHBondContact O-CA 3.27Å; V455-N493 PolarHBondContact N-O 3.45Å; V455-N493 PolarHBondContact O-N 3.13Å; V455-Y495 HydrophobicContact CB-CE2 4.04Å; V455-Y495 HydrophobicContact CG2-CD2 4.08Å; V455-Y495 HydrophobicContact CG2-CE2 3.66Å
456	L	90.1	Very high	79.3	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	134.1	177.4	-63.1	74.7	0	0	0	110	V390 L392 V463 A464 F480 I482 L490 E491	V390-L456 HydrophobicContact CG1-CD2 4.49Å; L392-L456 HydrophobicContact CD1-CD1 3.68Å; L392-L456 HydrophobicContact CD1-CG 4.38Å; L456-V463 HydrophobicContact CB-CG2 3.96Å; L456-V463 WeakPolarHBondContact O-CG2 3.39Å; L456-V463 PolarHBondContact O-N 3.25Å; L456-A464 HydrophobicContact CB-CB 4.15Å; L456-A464 HydrophobicContact CD1-CB 4.08Å; L456-A464 HydrophobicContact CD2-CB 4.46Å; L456-A464 HydrophobicContact CG-CB 4.46Å; L456-A464 PolarHBondContact N-O 3.42Å; L456-A464 PolarHBondContact O-N 3.48Å; L456-F480 HydrophobicContact CD1-CD2 4.17Å; L456-F480 HydrophobicContact CD1-CE2 4.06Å; L456-F480 HydrophobicContact CD2-CB 4.47Å; L456-F480 HydrophobicContact CD2-CD2 4.05Å; L456-F480 HydrophobicContact CD2-CG 4.4Å; L456-I482 HydrophobicContact CD2-CD1 3.96Å; L456-L490 HydrophobicContact CB-CD1 4.37Å; L456-E491 CarbonylContact C-O 3.22Å; L456-E491 WeakPolarHBondContact CA-O 3.42Å
457	R	87.9	Confident	81.5	Confident	40 Å²	40	60.3 Å²	60.3	15%	0.151	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	135.6	178	-73.2	173.7	175.3	-90.2	-6.5	111.2	E300 V455 G460 R461 K462 L490 E491	E300-R457 IonicContact OE1-CZ 3.81Å; E300-R457 IonicContact OE1-NE 3.74Å; E300-R457 PolarHBondContact OE1-NE 3.19Å; E300-R457 IonicContact OE1-NH1 2.77Å; E300-R457 IonicContact OE1-NH2 3.51Å; E300-R457 PolarHBondContact OE1-NH2 3.36Å; E300-R457 IonicContact OE2-CZ 3.94Å; E300-R457 VanDerWaalsContact OE2-CZ 3.31Å; E300-R457 IonicContact OE2-NE 2.74Å; E300-R457 IonicContact OE2-NH1 3.59Å; E300-R457 IonicContact OE2-NH2 3.12Å; E300-R457 PolarHBondContact OE2-NH2 2.98Å; V455-R457 HydrophobicContact CG1-CG 4.49Å; R457-G460 PolarHBondContact NH1-O 3.32Å; R457-R461 CarbonylContact C-O 3.58Å; R457-R461 WeakPolarHBondContact CA-O 3.49Å; R457-K462 HydrophobicContact CG-CB 4.26Å; R457-L490 CarbonylContact O-C 2.97Å; R457-L490 WeakPolarHBondContact O-CA 3.44Å; R457-E491 HydrophobicContact CB-CB 4.03Å; R457-E491 HydrophobicContact CB-CG 4.39Å; R457-E491 WeakPolarHBondContact CD-OE1 3.4Å; R457-E491 PolarHBondContact N-O 2.84Å; R457-E491 PolarHBondContact O-N 2.75Å
458	V	81.8	Confident	83.6	Confident	15 Å²	15	57 Å²	57	9%	0.091	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.7	171	173.6	0	0	0	0	109	G460 R461 V463 I482 L484 A487 E489 L490	V458-G460 PolarHBondContact O-N 2.96Å; V458-G460 VanDerWaalsContact O-N 3.11Å; V458-R461 PolarHBondContact N-O 2.76Å; V458-R461 WeakPolarHBondContact O-CB 3.43Å; V458-R461 PolarHBondContact O-N 2.86Å; V458-V463 HydrophobicContact CB-CG1 4.08Å; V458-V463 HydrophobicContact CG2-CG1 4.15Å; V458-V463 HydrophobicContact CG2-CG2 4.02Å; V458-I482 HydrophobicContact CG2-CG2 3.72Å; V458-L484 HydrophobicContact CG1-CD2 4.12Å; V458-L484 HydrophobicContact CG2-CD2 4.29Å; V458-A487 HydrophobicContact CG1-CB 3.5Å; V458-E489 WeakPolarHBondContact CA-O 3.12Å; V458-L490 HydrophobicContact CG2-CD1 3.99Å
459	D	75.3	Confident	85.4	Confident	81 Å²	81	54.3 Å²	54.3	43%	0.433	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.5	42.1	-174.9	-65.8	-19.5	0	0	0	112.8	R461 A487 R488 E489	D459-R461 VanDerWaalsContact C-N 3.35Å; D459-R461 PolarHBondContact O-N 2.81Å; D459-A487 VanDerWaalsContact OD2-CA 3.25Å; D459-A487 WeakPolarHBondContact OD2-CA 3.36Å; D459-R488 WeakPolarHBondContact OD1-CB 3.23Å; D459-R488 PolarHBondContact OD1-N 3.39Å; D459-R488 PolarHBondContact OD2-N 3.03Å; D459-R488 VanDerWaalsContact OD2-N 3.08Å; D459-E489 PolarHBondContact N-O 2.89Å; D459-E489 PolarHBondContact OD1-N 3.14Å
460	G	79.9	Confident	86.9	Confident	40 Å²	40	55.1 Å²	55.1	41%	0.412	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	-6.1	179.9	0	0	0	0	0	115.9	R457 V458	R457-G460 PolarHBondContact NH1-O 3.32Å; V458-G460 PolarHBondContact O-N 2.96Å; V458-G460 VanDerWaalsContact O-N 3.11Å
461	R	80.5	Confident	87.3	Confident	197 Å²	197	53.6 Å²	53.6	74%	0.743	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	125.5	176.9	-62.7	-178.4	179.9	176.5	2.2	110.9	R457 V458 D459 V463	R457-R461 CarbonylContact C-O 3.58Å; R457-R461 WeakPolarHBondContact CA-O 3.49Å; V458-R461 PolarHBondContact N-O 2.76Å; V458-R461 WeakPolarHBondContact O-CB 3.43Å; V458-R461 PolarHBondContact O-N 2.86Å; D459-R461 VanDerWaalsContact C-N 3.35Å; D459-R461 PolarHBondContact O-N 2.81Å; R461-V463 PolarHBondContact O-N 3.44Å
462	K	86.1	Confident	87.2	Confident	102 Å²	102	54.8 Å²	54.8	44%	0.443	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	121.5	173.7	-179.9	171.1	175.9	171.9	0	110	V455 R457 E465	V455-K462 HydrophobicContact CG1-CD 3.69Å; V455-K462 HydrophobicContact CG1-CG 3.77Å; R457-K462 HydrophobicContact CG-CB 4.26Å; K462-E465 WeakPolarHBondContact CE-OE2 3.42Å; K462-E465 IonicContact NZ-OE1 3.12Å; K462-E465 PolarHBondContact NZ-OE1 2.99Å; K462-E465 IonicContact NZ-OE2 2.95Å; K462-E465 PolarHBondContact NZ-OE2 3.3Å
463	V	82.6	Confident	86.9	Confident	62 Å²	62	59.6 Å²	59.6	38%	0.376	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	-28.8	-178.6	-68.3	0	0	0	0	112.6	L456 V458 R461 I482	L456-V463 HydrophobicContact CB-CG2 3.96Å; L456-V463 WeakPolarHBondContact O-CG2 3.39Å; L456-V463 PolarHBondContact O-N 3.25Å; V458-V463 HydrophobicContact CB-CG1 4.08Å; V458-V463 HydrophobicContact CG2-CG1 4.15Å; V458-V463 HydrophobicContact CG2-CG2 4.02Å; R461-V463 PolarHBondContact O-N 3.44Å; V463-I482 HydrophobicContact CB-CG1 4.34Å; V463-I482 HydrophobicContact CB-CG2 3.94Å; V463-I482 HydrophobicContact CG1-CG2 3.92Å; V463-I482 HydrophobicContact CG2-CD1 3.74Å; V463-I482 HydrophobicContact CG2-CG1 3.95Å; V463-I482 HydrophobicContact CG2-CG2 3.91Å
464	A	85.5	Confident	86.4	Confident	14 Å²	14	62 Å²	62	12%	0.116	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	165.4	180	0	0	0	0	0	112.4	L456 F480	L456-A464 HydrophobicContact CB-CB 4.15Å; L456-A464 HydrophobicContact CD1-CB 4.08Å; L456-A464 HydrophobicContact CD2-CB 4.46Å; L456-A464 HydrophobicContact CG-CB 4.46Å; L456-A464 PolarHBondContact N-O 3.42Å; L456-A464 PolarHBondContact O-N 3.48Å; A464-F480 HydrophobicContact CB-CB 4.26Å; A464-F480 HydrophobicContact CB-CD1 3.39Å; A464-F480 HydrophobicContact CB-CE1 3.78Å; A464-F480 HydrophobicContact CB-CG 3.82Å
465	E	90.5	Very high	85.9	Confident	88 Å²	88	62.6 Å²	62.6	41%	0.411	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	142.6	178.9	174.3	167.6	-129.8	0	0	109.6	Y453 A454 V455 K462 F480	Y453-E465 HydrophobicContact CD2-CG 4.28Å; Y453-E465 WeakPolarHBondContact CE2-OE1 3.3Å; A454-E465 CarbonylContact O-C 3.55Å; A454-E465 VanDerWaalsContact O-CA 3.28Å; A454-E465 WeakPolarHBondContact O-CA 3.47Å; V455-E465 HydrophobicContact CG2-CG 4.23Å; K462-E465 WeakPolarHBondContact CE-OE2 3.42Å; K462-E465 IonicContact NZ-OE1 3.12Å; K462-E465 PolarHBondContact NZ-OE1 2.99Å; K462-E465 IonicContact NZ-OE2 2.95Å; K462-E465 PolarHBondContact NZ-OE2 3.3Å; E465-F480 WeakPolarHBondContact O-CE1 3.29Å; E465-F480 WeakPolarHBondContact O-CZ 3.26Å
466	T	91.2	Very high	85.4	Confident	5 Å²	5	63.2 Å²	63.2	3%	0.031	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-89.1	160.3	175.2	70.1	0	0	0	0	111.8	L392 Y453 A454 W476 Q478 F480	L392-T466 HydrophobicContact CD1-CG2 3.79Å; Y453-T466 WeakPolarHBondContact CA-OG1 3.44Å; A454-T466 HydrophobicContact CB-CG2 4.02Å; A454-T466 PolarHBondContact N-OG1 3.09Å; A454-T466 PolarHBondContact O-N 2.89Å; T466-W476 HydrophobicContact CG2-CB 4.41Å; T466-W476 HydrophobicContact CG2-CD2 3.98Å; T466-W476 HydrophobicContact CG2-CE3 4.39Å; T466-W476 HydrophobicContact CG2-CG 3.97Å; T466-W476 PolarHBondContact OG1-NE1 3.38Å; T466-W476 VanDerWaalsContact OG1-NE1 3.11Å; T466-Q478 VanDerWaalsContact CA-OE1 3.31Å; T466-F480 HydrophobicContact CG2-CE2 3.84Å; T466-F480 HydrophobicContact CG2-CZ 3.76Å
467	E	87.6	Confident	84.9	Confident	121 Å²	121	66.5 Å²	66.5	57%	0.565	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-69	145.2	169.5	-65.9	-69	153.8	0	0	110.9	K469 W476 Q478	E467-K469 PolarHBondContact O-N 3.13Å; E467-W476 PolarHBondContact O-NE1 3.42Å; E467-Q478 VanDerWaalsContact CG-NE2 3.33Å
468	P	90.4	Very high	84.5	Confident	42 Å²	42	66.7 Å²	66.7	27%	0.273	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-60.2	126.9	169.7	-23.2	34.7	0	0	0	111.7	E451 I452 N497	E451-P468 HydrophobicContact CB-CB 4.25Å; E451-P468 VanDerWaalsContact OE2-CB 3.25Å; E451-P468 WeakPolarHBondContact OE2-CB 3.41Å; I452-P468 WeakPolarHBondContact O-CA 3.47Å; P468-N497 HydrophobicContact CB-CB 4.4Å; P468-N497 WeakPolarHBondContact CB-ND2 3.3Å
469	K	89.6	Confident	83.9	Confident	94 Å²	94	69.7 Å²	69.7	41%	0.409	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	149.1	-177.5	-72.4	-71.6	-175	-179.3	0	111.4	E451 I452 E467 A475	E451-K469 CarbonylContact C-O 3.54Å; E451-K469 WeakPolarHBondContact CA-O 3.16Å; I452-K469 WeakPolarHBondContact CG1-O 3.38Å; I452-K469 PolarHBondContact N-O 2.98Å; I452-K469 PolarHBondContact O-N 3.36Å; E467-K469 PolarHBondContact O-N 3.13Å; K469-A475 HydrophobicContact CB-CB 4.2Å; K469-A475 VanDerWaalsContact CB-O 3.23Å; K469-A475 WeakPolarHBondContact CB-O 3.48Å; K469-A475 WeakPolarHBondContact CG-O 3.42Å
470	P	88.4	Confident	83.7	Confident	80 Å²	80	67.1 Å²	67.1	52%	0.519	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	140.7	173.6	-25.7	34.5	0	0	0	112.4	S472 A475	P470-S472 PolarHBondContact O-N 2.78Å; P470-S472 VanDerWaalsContact O-N 3.13Å; P470-A475 WeakPolarHBondContact O-CB 3.43Å
471	L	87	Confident	83	Confident	65 Å²	65	67.8 Å²	67.8	34%	0.34	34%	0.336	S	S	.	.	S	Bend	trans	-54.7	116.8	179.3	175.1	65.5	0	0	0	111.7	C395 L398 D450 I452 W496	C395-L471 HydrophobicContact CB-CD1 4.18Å; C395-L471 VanDerWaalsContact O-CD1 3.32Å; C395-L471 WeakPolarHBondContact O-CD1 3.05Å; L398-L471 HydrophobicContact CD1-CD1 3.78Å; L398-L471 HydrophobicContact CG-CD1 4.15Å; D450-L471 PolarHBondContact O-N 3.31Å; I452-L471 HydrophobicContact CD1-CB 4.41Å; I452-L471 HydrophobicContact CD1-CD1 3.6Å; I452-L471 HydrophobicContact CG1-CB 4.5Å; L471-W496 HydrophobicContact CB-CH2 4.38Å; L471-W496 HydrophobicContact CD2-CH2 3.91Å; L471-W496 HydrophobicContact CD2-CZ2 4.48Å
472	S	87.1	Confident	82.5	Confident	53 Å²	53	58.8 Å²	58.8	37%	0.371	30%	0.303	S	S	.	.	S	Bend	trans	-159.3	164.4	170.1	69.1	0	0	0	0	111.2	G394 C395 P470 Q474 A475	G394-S472 WeakPolarHBondContact CA-O 3.41Å; C395-S472 PolarHBondContact N-O 2.67Å; C395-S472 CarbonylContact O-C 3.53Å; P470-S472 PolarHBondContact O-N 2.78Å; P470-S472 VanDerWaalsContact O-N 3.13Å; S472-Q474 PolarHBondContact O-N 3.21Å; S472-Q474 VanDerWaalsContact O-N 3.13Å; S472-Q474 PolarHBondContact OG-N 2.85Å; S472-A475 WeakPolarHBondContact O-CB 2.96Å; S472-A475 PolarHBondContact O-N 2.9Å; S472-A475 WeakPolarHBondContact OG-CA 3.5Å; S472-A475 PolarHBondContact OG-N 3.41Å
473	Q	84.9	Confident	81.5	Confident	101 Å²	101	59.2 Å²	59.2	47%	0.472	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-17.1	175.6	-61.3	-178.3	3	0	0	113.2	M393 G394 Q396 F532	M393-Q473 CarbonylContact C-O 3.59Å; G394-Q473 WeakPolarHBondContact CA-O 3.45Å; G394-Q473 PolarHBondContact N-O 2.93Å; Q396-Q473 HydrophobicContact CB-CG 4.35Å; Q473-F532 HydrophobicContact CB-CD2 4.11Å; Q473-F532 HydrophobicContact CB-CE2 3.97Å; Q473-F532 HydrophobicContact CG-CD2 4.29Å; Q473-F532 HydrophobicContact CG-CE2 3.66Å; Q473-F532 HydrophobicContact CG-CZ 4.09Å
474	Q	83.9	Confident	80.6	Confident	98 Å²	98	56.7 Å²	56.7	46%	0.458	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.1	33.2	-179.4	-63.8	-66.3	-26.6	0	0	110.8	M393 S472 W476	M393-Q474 CarbonylContact O-C 3.52Å; M393-Q474 WeakPolarHBondContact O-CA 3.26Å; M393-Q474 PolarHBondContact SD-NE2 3.26Å; M393-Q474 VanDerWaalsContact SD-NE2 3.39Å; S472-Q474 PolarHBondContact O-N 3.21Å; S472-Q474 VanDerWaalsContact O-N 3.13Å; S472-Q474 PolarHBondContact OG-N 2.85Å; Q474-W476 VanDerWaalsContact C-N 3.28Å; Q474-W476 PolarHBondContact O-N 2.95Å
475	A	81.4	Confident	79.4	Confident	11 Å²	11	64.3 Å²	64.3	9%	0.091	33%	0.327	C	S	.	.	S	Bend	trans	-55.4	-40	-173.7	0	0	0	0	0	113.5	M393 I452 K469 P470 S472	M393-A475 PolarHBondContact O-N 2.93Å; I452-A475 HydrophobicContact CD1-CB 4.41Å; K469-A475 HydrophobicContact CB-CB 4.2Å; K469-A475 VanDerWaalsContact CB-O 3.23Å; K469-A475 WeakPolarHBondContact CB-O 3.48Å; K469-A475 WeakPolarHBondContact CG-O 3.42Å; P470-A475 WeakPolarHBondContact O-CB 3.43Å; S472-A475 WeakPolarHBondContact O-CB 2.96Å; S472-A475 PolarHBondContact O-N 2.9Å; S472-A475 WeakPolarHBondContact OG-CA 3.5Å; S472-A475 PolarHBondContact OG-N 3.41Å
476	W	81.5	Confident	78.1	Confident	18 Å²	18	66.8 Å²	66.8	7%	0.068	33%	0.333	C	S	.	.			trans	-112	-48.4	-171.7	-54.9	-63.1	0	0	0	112.8	L392 M393 C395 I452 A454 T466 E467 Q474 Q478 V494 L531	L392-W476 HydrophobicContact CB-CE3 4.24Å; M393-W476 PolarHBondContact O-N 3.34Å; C395-W476 HydrophobicContact CB-CH2 4.41Å; C395-W476 VanDerWaalsContact SG-CH2 3.57Å; I452-W476 HydrophobicContact CB-CZ2 4.28Å; I452-W476 HydrophobicContact CD1-CH2 3.71Å; I452-W476 HydrophobicContact CD1-CZ2 3.57Å; I452-W476 HydrophobicContact CG1-CH2 4.37Å; I452-W476 HydrophobicContact CG1-CZ2 3.73Å; I452-W476 PolarHBondContact O-NE1 3.15Å; A454-W476 HydrophobicContact CB-CH2 3.9Å; A454-W476 HydrophobicContact CB-CZ2 4.2Å; A454-W476 HydrophobicContact CB-CZ3 4.25Å; T466-W476 HydrophobicContact CG2-CB 4.41Å; T466-W476 HydrophobicContact CG2-CD2 3.98Å; T466-W476 HydrophobicContact CG2-CE3 4.39Å; T466-W476 HydrophobicContact CG2-CG 3.97Å; T466-W476 PolarHBondContact OG1-NE1 3.38Å; T466-W476 VanDerWaalsContact OG1-NE1 3.11Å; E467-W476 PolarHBondContact O-NE1 3.42Å; Q474-W476 VanDerWaalsContact C-N 3.28Å; Q474-W476 PolarHBondContact O-N 2.95Å; W476-Q478 HydrophobicContact CB-CB 4.12Å; W476-Q478 HydrophobicContact CB-CG 3.93Å; W476-Q478 WeakPolarHBondContact O-CG 3.48Å; W476-Q478 PolarHBondContact O-N 2.93Å; W476-V494 HydrophobicContact CH2-CG1 4.44Å; W476-L531 HydrophobicContact CZ3-CD1 4.24Å
477	D	80.1	Confident	76.7	Confident	70 Å²	70	66.7 Å²	66.7	37%	0.374	33%	0.333	S	S	.	.			trans	44.9	43.6	-165.1	-162.5	8.4	0	0	0	112.8	R391 L392 M393	R391-D477 IonicContact CZ-OD1 3.28Å; R391-D477 IonicContact CZ-OD2 3.6Å; R391-D477 IonicContact NE-OD1 3.52Å; R391-D477 PolarHBondContact NE-OD1 3.43Å; R391-D477 IonicContact NE-OD2 2.79Å; R391-D477 IonicContact NH2-OD1 3.08Å; R391-D477 PolarHBondContact NH2-OD1 3.49Å; R391-D477 IonicContact NH2-OD2 2.67Å; R391-D477 PolarHBondContact NH2-OD2 2.94Å; L392-D477 VanDerWaalsContact O-CA 3.31Å; L392-D477 WeakPolarHBondContact O-CA 3.44Å; L392-D477 PolarHBondContact O-N 2.8Å; L392-D477 VanDerWaalsContact O-N 3.1Å; M393-D477 PolarHBondContact O-N 3.41Å
478	Q	78.6	Confident	75.7	Confident	44 Å²	44	67.5 Å²	67.5	21%	0.206	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	149	-174.4	-74.3	-172	14.2	0	0	112.3	R391 L392 T466 E467 W476 F480	R391-Q478 CarbonylContact C-O 3.6Å; R391-Q478 WeakPolarHBondContact CA-O 3.42Å; L392-Q478 PolarHBondContact N-O 2.98Å; L392-Q478 PolarHBondContact O-N 3.33Å; T466-Q478 VanDerWaalsContact CA-OE1 3.31Å; E467-Q478 VanDerWaalsContact CG-NE2 3.33Å; W476-Q478 HydrophobicContact CB-CB 4.12Å; W476-Q478 HydrophobicContact CB-CG 3.93Å; W476-Q478 WeakPolarHBondContact O-CG 3.48Å; W476-Q478 PolarHBondContact O-N 2.93Å; Q478-F480 HydrophobicContact CB-CE2 4.01Å; Q478-F480 HydrophobicContact CB-CZ 4Å
479	R	69.4	Low	75	Confident	78 Å²	78	67.2 Å²	67.2	29%	0.294	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	134.2	-173	-80.1	172.2	176.4	-148.2	9.3	111.8	V380 I382 V390 R391	V380-R479 HydrophobicContact CB-CB 3.98Å; V380-R479 HydrophobicContact CG1-CB 3.47Å; V380-R479 VanDerWaalsContact CG1-CB 3.47Å; V380-R479 VanDerWaalsContact CG1-CD 3.45Å; V380-R479 HydrophobicContact CG1-CG 3.66Å; I382-R479 VanDerWaalsContact CG1-CZ 3.44Å; V390-R479 WeakPolarHBondContact O-CA 3.38Å; R391-R479 HydrophobicContact CB-CG 4.3Å; R391-R479 HydrophobicContact CG-CG 4.31Å
480	F	72	Confident	74.7	Confident	26 Å²	26	63 Å²	63	11%	0.114	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	134.5	-173.7	-60.5	-73.3	0	0	0	114	V380 V390 L392 L456 A464 E465 T466 Q478	V380-F480 WeakPolarHBondContact CG2-O 3.46Å; V390-F480 PolarHBondContact O-N 3.35Å; V390-F480 VanDerWaalsContact O-N 3.17Å; L392-F480 HydrophobicContact CD1-CD2 4.46Å; L392-F480 HydrophobicContact CD1-CE2 3.97Å; L392-F480 HydrophobicContact CG-CD2 4.46Å; L392-F480 HydrophobicContact CG-CE2 4.24Å; L456-F480 HydrophobicContact CD1-CD2 4.17Å; L456-F480 HydrophobicContact CD1-CE2 4.06Å; L456-F480 HydrophobicContact CD2-CB 4.47Å; L456-F480 HydrophobicContact CD2-CD2 4.05Å; L456-F480 HydrophobicContact CD2-CG 4.4Å; A464-F480 HydrophobicContact CB-CB 4.26Å; A464-F480 HydrophobicContact CB-CD1 3.39Å; A464-F480 HydrophobicContact CB-CE1 3.78Å; A464-F480 HydrophobicContact CB-CG 3.82Å; E465-F480 WeakPolarHBondContact O-CE1 3.29Å; E465-F480 WeakPolarHBondContact O-CZ 3.26Å; T466-F480 HydrophobicContact CG2-CE2 3.84Å; T466-F480 HydrophobicContact CG2-CZ 3.76Å; Q478-F480 HydrophobicContact CB-CE2 4.01Å; Q478-F480 HydrophobicContact CB-CZ 4Å
481	S	65.6	Low	74.7	Confident	55 Å²	55	59.8 Å²	59.8	39%	0.385	29%	0.285	S	S	.	.			trans	-99.4	130.2	169.6	171.1	0	0	0	0	110.7	L378 E379	L378-S481 CarbonylContact O-C 3.55Å; L378-S481 WeakPolarHBondContact O-CA 3.42Å; L378-S481 VanDerWaalsContact O-CB 3.26Å; L378-S481 WeakPolarHBondContact O-CB 3.33Å; L378-S481 PolarHBondContact O-OG 2.8Å; E379-S481 WeakPolarHBondContact CA-OG 3.3Å; E379-S481 VanDerWaalsContact CG-OG 3.28Å; E379-S481 WeakPolarHBondContact CG-OG 3.39Å
482	I	69.9	Low	74.9	Confident	8 Å²	8	56.9 Å²	56.9	4%	0.041	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	115.2	-176.4	-53.6	166.5	0	0	0	110.8	L378 L456 V458 V463 L484 L490	L378-I482 WeakPolarHBondContact CA-O 3.26Å; L378-I482 HydrophobicContact CB-CB 4.06Å; L378-I482 WeakPolarHBondContact CB-O 3.24Å; L378-I482 HydrophobicContact CD2-CB 4.1Å; L378-I482 HydrophobicContact CD2-CD1 4.1Å; L378-I482 HydrophobicContact CD2-CG1 4.29Å; L378-I482 PolarHBondContact N-O 2.88Å; L378-I482 PolarHBondContact O-N 3.24Å; L456-I482 HydrophobicContact CD2-CD1 3.96Å; V458-I482 HydrophobicContact CG2-CG2 3.72Å; V463-I482 HydrophobicContact CB-CG1 4.34Å; V463-I482 HydrophobicContact CB-CG2 3.94Å; V463-I482 HydrophobicContact CG1-CG2 3.92Å; V463-I482 HydrophobicContact CG2-CD1 3.74Å; V463-I482 HydrophobicContact CG2-CG1 3.95Å; V463-I482 HydrophobicContact CG2-CG2 3.91Å; I482-L484 HydrophobicContact CG2-CD2 4.35Å; I482-L490 HydrophobicContact CD1-CD1 4.4Å
483	D	64	Low	75.2	Confident	111 Å²	111	54.3 Å²	54.3	59%	0.594	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	132.6	174.8	-60.7	-22.8	0	0	0	111.6	K377	K377-D483 WeakPolarHBondContact CE-OD1 3.39Å; K377-D483 WeakPolarHBondContact CG-OD1 3.39Å
484	L	65	Low	75.6	Confident	9 Å²	9	49.5 Å²	49.5	5%	0.047	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	113.7	178.8	-57.8	-178.9	0	0	0	110.3	S375 G376 L378 V458 I482 A487 L510 Y537	S375-L484 CarbonylContact C-O 3.46Å; S375-L484 VanDerWaalsContact CA-O 3.29Å; S375-L484 WeakPolarHBondContact CA-O 3.42Å; G376-L484 PolarHBondContact N-O 3.47Å; G376-L484 CarbonylContact O-C 3.5Å; G376-L484 WeakPolarHBondContact O-CA 3.44Å; G376-L484 PolarHBondContact O-N 3.36Å; L378-L484 HydrophobicContact CD1-CD1 3.98Å; L378-L484 HydrophobicContact CD1-CG 4.43Å; V458-L484 HydrophobicContact CG1-CD2 4.12Å; V458-L484 HydrophobicContact CG2-CD2 4.29Å; I482-L484 HydrophobicContact CG2-CD2 4.35Å; L484-A487 HydrophobicContact CB-CB 4.11Å; L484-A487 HydrophobicContact CD2-CB 3.78Å; L484-A487 HydrophobicContact CG-CB 4.46Å; L484-L510 HydrophobicContact CD1-CD1 4.07Å; L484-L510 HydrophobicContact CD2-CD1 3.8Å; L484-Y537 HydrophobicContact CD1-CE1 3.6Å; L484-Y537 WeakPolarHBondContact CD1-OH 3.47Å
485	E	60.1	Low	76	Confident	174 Å²	174	45.9 Å²	45.9	81%	0.813	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-114	89.7	174.8	-168.3	-176.1	-177.2	0	0	109.1	A487	E485-A487 PolarHBondContact O-N 3.05Å
486	R	61.7	Low	76.5	Confident	139 Å²	139	45.6 Å²	45.6	53%	0.525	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	56.7	35.3	-175.5	-55.2	175.9	67.9	174.8	2.5	113.3	A373 V374 S375	A373-R486 HydrophobicContact CB-CB 4.1Å; A373-R486 WeakPolarHBondContact CB-O 3.47Å; V374-R486 CarbonylContact O-C 3.53Å; V374-R486 VanDerWaalsContact O-CA 3.26Å; V374-R486 WeakPolarHBondContact O-CA 3.43Å; V374-R486 PolarHBondContact O-N 3.38Å; V374-R486 VanDerWaalsContact O-N 3.13Å; S375-R486 WeakPolarHBondContact OG-CG 3.47Å; S375-R486 PolarHBondContact OG-N 2.85Å; S375-R486 VanDerWaalsContact OG-N 3.1Å
487	A	62.8	Low	76.8	Confident	3 Å²	3	47.6 Å²	47.6	3%	0.025	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	149.9	-176.6	0	0	0	0	0	112.8	V374 V458 D459 L484 E485 L510	V374-A487 PolarHBondContact N-O 3.44Å; V374-A487 PolarHBondContact O-N 3.4Å; V458-A487 HydrophobicContact CG1-CB 3.5Å; D459-A487 VanDerWaalsContact OD2-CA 3.25Å; D459-A487 WeakPolarHBondContact OD2-CA 3.36Å; L484-A487 HydrophobicContact CB-CB 4.11Å; L484-A487 HydrophobicContact CD2-CB 3.78Å; L484-A487 HydrophobicContact CG-CB 4.46Å; E485-A487 PolarHBondContact O-N 3.05Å; A487-L510 HydrophobicContact CB-CD1 3.61Å
488	R	66.2	Low	77.1	Confident	138 Å²	138	46.1 Å²	46.1	52%	0.521	21%	0.213	S	C	.	.			trans	-119.1	-34.3	-174.7	-64.6	177.8	176.2	172.9	-2.1	115	A373 D459 L510	A373-R488 HydrophobicContact CB-CG 4.27Å; D459-R488 WeakPolarHBondContact OD1-CB 3.23Å; D459-R488 PolarHBondContact OD1-N 3.39Å; D459-R488 PolarHBondContact OD2-N 3.03Å; D459-R488 VanDerWaalsContact OD2-N 3.08Å; R488-L510 WeakPolarHBondContact O-CB 3.5Å; R488-L510 PolarHBondContact O-N 3.04Å
489	E	76	Confident	77.2	Confident	36 Å²	36	47.9 Å²	47.9	17%	0.168	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	136.3	-172.7	-169.8	171.8	60.9	0	0	111.1	R244 V458 D459 F507 L508	R244-E489 IonicContact CZ-OE2 2.78Å; R244-E489 IonicContact NE-OE2 3.28Å; R244-E489 IonicContact NH2-OE2 2.89Å; R244-E489 PolarHBondContact NH2-OE2 2.93Å; V458-E489 WeakPolarHBondContact CA-O 3.12Å; D459-E489 PolarHBondContact N-O 2.89Å; D459-E489 PolarHBondContact OD1-N 3.14Å; E489-F507 HydrophobicContact CG-CB 4.28Å; E489-F507 HydrophobicContact CG-CD1 4.24Å; E489-L508 WeakPolarHBondContact CA-O 2.96Å
490	L	82.5	Confident	78	Confident	6 Å²	6	45 Å²	45	3%	0.031	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	122.2	167.7	172.1	67	0	0	0	108.5	L456 R457 V458 I482 V492 F507 L508 L510 I535	L456-L490 HydrophobicContact CB-CD1 4.37Å; R457-L490 CarbonylContact O-C 2.97Å; R457-L490 WeakPolarHBondContact O-CA 3.44Å; V458-L490 HydrophobicContact CG2-CD1 3.99Å; I482-L490 HydrophobicContact CD1-CD1 4.4Å; L490-V492 HydrophobicContact CG-CG2 4.47Å; L490-F507 CarbonylContact O-C 3.33Å; L490-L508 HydrophobicContact CB-CB 4.37Å; L490-L508 HydrophobicContact CD2-CD1 4.28Å; L490-L508 PolarHBondContact N-O 3.16Å; L490-L508 PolarHBondContact O-N 3.47Å; L490-L510 HydrophobicContact CB-CD2 3.56Å; L490-L510 HydrophobicContact CB-CG 4.44Å; L490-I535 HydrophobicContact CD2-CD1 4.35Å
491	E	88.8	Confident	78.8	Confident	12 Å²	12	44.2 Å²	44.2	6%	0.056	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	136.8	177.1	171.1	-166.3	151.7	0	0	109.1	K304 L456 R457 N493 T506 F507	K304-E491 WeakPolarHBondContact CE-OE1 3.49Å; K304-E491 IonicContact NZ-OE1 3.19Å; K304-E491 PolarHBondContact NZ-OE1 3.17Å; K304-E491 IonicContact NZ-OE2 3.17Å; L456-E491 CarbonylContact C-O 3.22Å; L456-E491 WeakPolarHBondContact CA-O 3.42Å; R457-E491 HydrophobicContact CB-CB 4.03Å; R457-E491 HydrophobicContact CB-CG 4.39Å; R457-E491 WeakPolarHBondContact CD-OE1 3.4Å; R457-E491 PolarHBondContact N-O 2.84Å; R457-E491 PolarHBondContact O-N 2.75Å; E491-N493 PolarHBondContact OE1-ND2 3.41Å; E491-N493 PolarHBondContact OE1-OD1 3.13Å; E491-N493 VanDerWaalsContact OE1-OD1 3.13Å; E491-T506 WeakPolarHBondContact CA-O 3.42Å; E491-F507 HydrophobicContact CB-CD1 3.78Å; E491-F507 HydrophobicContact CB-CE1 3.88Å; E491-F507 HydrophobicContact CG-CD1 3.88Å; E491-F507 HydrophobicContact CG-CE1 3.56Å; E491-F507 HydrophobicContact CG-CZ 4.11Å
492	V	90.9	Very high	80.1	Confident	4 Å²	4	41.6 Å²	41.6	2%	0.024	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	118.3	175.2	-174.9	0	0	0	0	108.9	A454 V455 L490 F505 T506 L531	A454-V492 HydrophobicContact CB-CG1 4.36Å; V455-V492 WeakPolarHBondContact O-CA 3.27Å; L490-V492 HydrophobicContact CG-CG2 4.47Å; V492-F505 CarbonylContact O-C 3.49Å; V492-F505 VanDerWaalsContact O-CA 3.28Å; V492-F505 WeakPolarHBondContact O-CA 3.18Å; V492-T506 HydrophobicContact CB-CG2 4Å; V492-T506 HydrophobicContact CG2-CG2 4.48Å; V492-T506 PolarHBondContact N-O 3.45Å; V492-T506 PolarHBondContact O-N 3.01Å; V492-L531 HydrophobicContact CB-CD2 4.28Å; V492-L531 HydrophobicContact CG1-CD2 3.87Å; V492-L531 HydrophobicContact CG2-CD2 4.43Å
493	N	93.5	Very high	81.2	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	133.7	178	-61.3	-25.4	0	0	0	109.8	K304 A454 V455 E491 Y495 M502	K304-N493 WeakPolarHBondContact CE-ND2 3.43Å; A454-N493 CarbonylContact C-O 3.38Å; A454-N493 WeakPolarHBondContact CA-O 3.4Å; V455-N493 PolarHBondContact N-O 3.45Å; V455-N493 PolarHBondContact O-N 3.13Å; E491-N493 PolarHBondContact OE1-ND2 3.41Å; E491-N493 PolarHBondContact OE1-OD1 3.13Å; E491-N493 VanDerWaalsContact OE1-OD1 3.13Å; N493-Y495 HydrophobicContact CB-CD2 4.41Å; N493-Y495 HydrophobicContact CB-CE2 3.6Å; N493-M502 HydrophobicContact CB-CE 4.01Å; N493-M502 HydrophobicContact CB-SD 4.43Å
494	V	93.4	Very high	82.6	Confident	0 Å²	0	36 Å²	36	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.1	179.6	-172.9	0	0	0	0	109.3	L398 Y453 A454 W476 M502 C503 A504 L525	L398-V494 HydrophobicContact CD1-CG1 3.75Å; L398-V494 HydrophobicContact CD2-CG1 4.34Å; Y453-V494 WeakPolarHBondContact O-CA 3.43Å; A454-V494 HydrophobicContact CB-CG2 4.46Å; W476-V494 HydrophobicContact CH2-CG1 4.44Å; V494-M502 CarbonylContact O-C 3.57Å; V494-M502 WeakPolarHBondContact O-CA 3.35Å; V494-C503 PolarHBondContact O-N 3.32Å; V494-C503 PolarHBondContact O-SG 2.92Å; V494-A504 HydrophobicContact CB-CB 4.38Å; V494-A504 PolarHBondContact N-O 3.47Å; V494-A504 PolarHBondContact O-N 3.47Å; V494-L525 HydrophobicContact CG2-CD1 4.09Å; V494-L525 HydrophobicContact CG2-CD2 4.42Å
495	Y	93.1	Very high	83.9	Confident	21 Å²	21	35.7 Å²	35.7	8%	0.082	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	143.8	-175.4	-64	-101.6	0	0	0	110.6	I452 Y453 V455 N493 M502	I452-Y495 CarbonylContact C-O 3.57Å; I452-Y495 WeakPolarHBondContact CA-O 3.44Å; Y453-Y495 HydrophobicContact CD2-CD2 4.23Å; Y453-Y495 HydrophobicContact CE1-CG 4.11Å; Y453-Y495 AromaticContact CE2-CD2 3.69Å; Y453-Y495 HydrophobicContact CE2-CD2 3.69Å; Y453-Y495 HydrophobicContact CE2-CE2 4.38Å; Y453-Y495 AromaticContact CE2-CG 3.82Å; Y453-Y495 HydrophobicContact CE2-CG 3.82Å; Y453-Y495 AromaticContact CZ-CD2 3.96Å; Y453-Y495 AromaticContact CZ-CG 3.56Å; Y453-Y495 PolarHBondContact N-O 3.44Å; Y453-Y495 PolarHBondContact O-N 3.2Å; V455-Y495 HydrophobicContact CB-CE2 4.04Å; V455-Y495 HydrophobicContact CG2-CD2 4.08Å; V455-Y495 HydrophobicContact CG2-CE2 3.66Å; N493-Y495 HydrophobicContact CB-CD2 4.41Å; N493-Y495 HydrophobicContact CB-CE2 3.6Å; Y495-M502 VanDerWaalsContact CD1-CA 3.47Å; Y495-M502 HydrophobicContact CD1-CB 3.71Å; Y495-M502 HydrophobicContact CD1-CG 4.37Å; Y495-M502 VanDerWaalsContact CD1-N 3.32Å; Y495-M502 HydrophobicContact CE1-CB 3.58Å; Y495-M502 HydrophobicContact CE1-CE 3.87Å; Y495-M502 HydrophobicContact CE1-CG 4.11Å; Y495-M502 HydrophobicContact CE2-CE 4.31Å; Y495-M502 HydrophobicContact CG-CB 4.42Å; Y495-M502 VanDerWaalsContact CZ-CE 3.49Å; Y495-M502 WeakPolarHBondContact OH-CE 3.06Å
496	W	91.8	Very high	85.3	Confident	6 Å²	6	28 Å²	28	2%	0.023	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	140.6	156.7	-69.6	107	0	0	0	109.7	L398 L399 T400 D450 I452 L471 D498 R500 S501 C503	L398-W496 HydrophobicContact CB-CZ2 4.31Å; L399-W496 PolarHBondContact O-NE1 3.49Å; T400-W496 HydrophobicContact CG2-CH2 4.36Å; T400-W496 HydrophobicContact CG2-CZ2 3.78Å; D450-W496 HydrophobicContact CB-CZ3 4.21Å; I452-W496 HydrophobicContact CG2-CD2 3.83Å; I452-W496 HydrophobicContact CG2-CE3 3.43Å; I452-W496 VanDerWaalsContact CG2-CE3 3.43Å; I452-W496 HydrophobicContact CG2-CH2 4.17Å; I452-W496 HydrophobicContact CG2-CZ2 4.49Å; I452-W496 HydrophobicContact CG2-CZ3 3.63Å; L471-W496 HydrophobicContact CB-CH2 4.38Å; L471-W496 HydrophobicContact CD2-CH2 3.91Å; L471-W496 HydrophobicContact CD2-CZ2 4.48Å; W496-D498 WeakPolarHBondContact CB-OD1 3.24Å; W496-D498 PolarHBondContact O-N 3.17Å; W496-R500 HydrophobicContact CB-CB 3.84Å; W496-R500 HydrophobicContact CG-CB 3.97Å; W496-S501 PolarHBondContact N-O 3.28Å; W496-C503 VanDerWaalsContact CD1-CB 3.44Å
497	N	88.4	Confident	86.5	Confident	60 Å²	60	22.7 Å²	22.7	32%	0.321	10%	0.101	S	C	.	.	S	Bend	trans	-78.6	38.9	177.5	-163.6	23.5	0	0	0	112.2	E451 Y453 P468	E451-N497 HydrophobicContact CB-CB 3.84Å; E451-N497 WeakPolarHBondContact O-CB 3.46Å; E451-N497 PolarHBondContact O-N 2.94Å; E451-N497 PolarHBondContact OE2-ND2 3.43Å; Y453-N497 HydrophobicContact CD1-CB 4.4Å; P468-N497 HydrophobicContact CB-CB 4.4Å; P468-N497 WeakPolarHBondContact CB-ND2 3.3Å
498	D	84.7	Confident	87.3	Confident	38 Å²	38	23 Å²	23	20%	0.203	10%	0.102	C	C	.	.	S	Bend	trans	-150.6	-162.4	-178.2	69.2	13.4	0	0	0	112.2	W496 R500 S501	W496-D498 WeakPolarHBondContact CB-OD1 3.24Å; W496-D498 PolarHBondContact O-N 3.17Å; D498-R500 VanDerWaalsContact CG-NE 3.31Å; D498-R500 PolarHBondContact O-N 3.17Å; D498-R500 WeakPolarHBondContact OD1-CB 3.45Å; D498-R500 WeakPolarHBondContact OD1-CG 3.33Å; D498-R500 IonicContact OD1-CZ 3.23Å; D498-R500 PolarHBondContact OD1-N 2.95Å; D498-R500 IonicContact OD1-NE 2.67Å; D498-R500 PolarHBondContact OD1-NE 3.44Å; D498-R500 IonicContact OD2-CZ 2.64Å; D498-R500 IonicContact OD2-NE 2.84Å; D498-R500 PolarHBondContact OD2-NE 3.06Å; D498-R500 IonicContact OD2-NH2 3.74Å; D498-R500 PolarHBondContact OD2-NH2 3.49Å; D498-S501 PolarHBondContact O-N 2.89Å
499	W	81.5	Confident	87.7	Confident	82 Å²	82	18.5 Å²	18.5	31%	0.311	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.4	-179.8	63	-85.4	0	0	0	113.8	R405 T406 M407 S501	R405-W499 VanDerWaalsContact C-CZ3 3.48Å; R405-W499 HydrophobicContact CB-CE3 4.14Å; R405-W499 HydrophobicContact CB-CZ3 4Å; R405-W499 VanDerWaalsContact O-CZ3 3.27Å; R405-W499 WeakPolarHBondContact O-CZ3 3.17Å; T406-W499 VanDerWaalsContact C-CE3 3.49Å; M407-W499 HydrophobicContact CB-CD2 4.5Å; M407-W499 VanDerWaalsContact CE-CD1 3.43Å; M407-W499 HydrophobicContact CG-CD2 4.09Å; M407-W499 HydrophobicContact CG-CG 4.11Å; M407-W499 HydrophobicContact CG-CZ2 4.14Å; M407-W499 HydrophobicContact SD-CG 4.11Å; W499-S501 VanDerWaalsContact C-N 3.28Å; W499-S501 PolarHBondContact O-N 3.1Å
500	R	86.6	Confident	87.3	Confident	17 Å²	17	17 Å²	17	6%	0.064	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-29	178.6	-62.3	173.6	-79.1	-170.9	-10	111.2	T400 I402 R405 L449 D450 W496 D498	T400-R500 WeakPolarHBondContact O-CD 3.3Å; I402-R500 HydrophobicContact CD1-CB 4.05Å; I402-R500 WeakPolarHBondContact CD1-O 3.31Å; R405-R500 WeakPolarHBondContact CD-O 3.26Å; R405-R500 PolarHBondContact NH1-O 3.47Å; L449-R500 PolarHBondContact O-NH2 3.44Å; D450-R500 IonicContact OD1-CZ 2.71Å; D450-R500 IonicContact OD1-NH1 2.79Å; D450-R500 PolarHBondContact OD1-NH1 3.46Å; D450-R500 IonicContact OD1-NH2 3.07Å; D450-R500 PolarHBondContact OD1-NH2 3.4Å; W496-R500 HydrophobicContact CB-CB 3.84Å; W496-R500 HydrophobicContact CG-CB 3.97Å; D498-R500 VanDerWaalsContact CG-NE 3.31Å; D498-R500 PolarHBondContact O-N 3.17Å; D498-R500 WeakPolarHBondContact OD1-CB 3.45Å; D498-R500 WeakPolarHBondContact OD1-CG 3.33Å; D498-R500 IonicContact OD1-CZ 3.23Å; D498-R500 PolarHBondContact OD1-N 2.95Å; D498-R500 IonicContact OD1-NE 2.67Å; D498-R500 PolarHBondContact OD1-NE 3.44Å; D498-R500 IonicContact OD2-CZ 2.64Å; D498-R500 IonicContact OD2-NE 2.84Å; D498-R500 PolarHBondContact OD2-NE 3.06Å; D498-R500 IonicContact OD2-NH2 3.74Å; D498-R500 PolarHBondContact OD2-NH2 3.49Å
501	S	89.2	Confident	86.1	Confident	10 Å²	10	17.3 Å²	17.3	7%	0.07	8%	0.084	C	C	.	.			trans	58.2	-149.1	178.9	-163	0	0	0	0	112.9	D303 W496 D498 W499 C503	D303-S501 WeakPolarHBondContact OD2-CB 3.4Å; D303-S501 PolarHBondContact OD2-OG 3.4Å; W496-S501 PolarHBondContact N-O 3.28Å; D498-S501 PolarHBondContact O-N 2.89Å; W499-S501 VanDerWaalsContact C-N 3.28Å; W499-S501 PolarHBondContact O-N 3.1Å; S501-C503 PolarHBondContact O-N 3.47Å
502	M	92.1	Very high	84.8	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	121.6	-177.7	-167.8	-172.2	-70.5	0	0	111.2	E300 D303 K304 L307 R405 N493 V494 Y495	E300-M502 HydrophobicContact CG-CE 3.96Å; D303-M502 HydrophobicContact CB-CB 4.03Å; K304-M502 HydrophobicContact CB-SD 4.46Å; K304-M502 HydrophobicContact CD-CE 4.37Å; K304-M502 HydrophobicContact CG-CE 3.65Å; K304-M502 HydrophobicContact CG-SD 3.45Å; K304-M502 WeakPolarHBondContact CG-SD 3.36Å; L307-M502 HydrophobicContact CD1-CB 4.25Å; L307-M502 HydrophobicContact CD1-CG 3.68Å; L307-M502 HydrophobicContact CD1-SD 3.83Å; R405-M502 PolarHBondContact NH1-O 2.94Å; N493-M502 HydrophobicContact CB-CE 4.01Å; N493-M502 HydrophobicContact CB-SD 4.43Å; V494-M502 CarbonylContact O-C 3.57Å; V494-M502 WeakPolarHBondContact O-CA 3.35Å; Y495-M502 VanDerWaalsContact CD1-CA 3.47Å; Y495-M502 HydrophobicContact CD1-CB 3.71Å; Y495-M502 HydrophobicContact CD1-CG 4.37Å; Y495-M502 VanDerWaalsContact CD1-N 3.32Å; Y495-M502 HydrophobicContact CE1-CB 3.58Å; Y495-M502 HydrophobicContact CE1-CE 3.87Å; Y495-M502 HydrophobicContact CE1-CG 4.11Å; Y495-M502 HydrophobicContact CE2-CE 4.31Å; Y495-M502 HydrophobicContact CG-CB 4.42Å; Y495-M502 VanDerWaalsContact CZ-CE 3.49Å; Y495-M502 WeakPolarHBondContact OH-CE 3.06Å
503	C	92.7	Very high	83.4	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	-19.9	-176.3	59.9	0	0	0	0	114	I402 V494 W496 S501	I402-C503 HydrophobicContact CD1-CB 3.85Å; V494-C503 PolarHBondContact O-N 3.32Å; V494-C503 PolarHBondContact O-SG 2.92Å; W496-C503 VanDerWaalsContact CD1-CB 3.44Å; S501-C503 PolarHBondContact O-N 3.47Å
504	A	93.3	Very high	81.5	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	157.5	179.6	0	0	0	0	0	111.8	L398 V494 L525 E526	L398-A504 HydrophobicContact CD2-CB 3.93Å; V494-A504 HydrophobicContact CB-CB 4.38Å; V494-A504 PolarHBondContact N-O 3.47Å; V494-A504 PolarHBondContact O-N 3.47Å; A504-L525 HydrophobicContact CB-CB 3.86Å; A504-L525 HydrophobicContact CB-CD1 3.91Å; A504-L525 HydrophobicContact CB-CG 4.38Å; A504-E526 CarbonylContact C-O 3.55Å; A504-E526 VanDerWaalsContact CA-O 3.26Å; A504-E526 WeakPolarHBondContact CA-O 3.45Å
505	F	93.4	Very high	79.4	Confident	4 Å²	4	28.2 Å²	28.2	2%	0.018	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	163.2	176.1	67.3	-93.3	0	0	0	112	L241 L307 I308 V492 F507 E526	L241-F505 HydrophobicContact CD2-CZ 4.27Å; L307-F505 HydrophobicContact CB-CD1 3.91Å; L307-F505 HydrophobicContact CB-CE1 3.68Å; L307-F505 HydrophobicContact CD1-CD1 4Å; I308-F505 HydrophobicContact CG1-CE1 3.84Å; I308-F505 HydrophobicContact CG1-CE2 4.41Å; I308-F505 HydrophobicContact CG1-CZ 3.54Å; V492-F505 CarbonylContact O-C 3.49Å; V492-F505 VanDerWaalsContact O-CA 3.28Å; V492-F505 WeakPolarHBondContact O-CA 3.18Å; F505-F507 AromaticContact CD2-CD2 3.65Å; F505-F507 HydrophobicContact CD2-CD2 3.65Å; F505-F507 AromaticContact CD2-CE2 3.26Å; F505-F507 HydrophobicContact CD2-CE2 3.26Å; F505-F507 HydrophobicContact CD2-CZ 4.31Å; F505-F507 AromaticContact CE2-CD2 3.88Å; F505-F507 HydrophobicContact CE2-CD2 3.88Å; F505-F507 AromaticContact CE2-CE2 3.47Å; F505-F507 HydrophobicContact CE2-CE2 3.47Å; F505-F507 VanDerWaalsContact CE2-CE2 3.47Å; F505-F507 HydrophobicContact CG-CE2 4.29Å; F505-E526 WeakPolarHBondContact CD1-O 3.45Å; F505-E526 HydrophobicContact CD2-CB 4.36Å; F505-E526 HydrophobicContact CE1-CB 4.03Å; F505-E526 HydrophobicContact CE2-CB 3.82Å; F505-E526 HydrophobicContact CE2-CG 4.46Å; F505-E526 HydrophobicContact CZ-CB 3.64Å; F505-E526 PolarHBondContact N-O 3.45Å; F505-E526 PolarHBondContact O-N 2.98Å
506	T	89.6	Confident	77.1	Confident	13 Å²	13	28.3 Å²	28.3	8%	0.08	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	156.4	166.9	-168.6	0	0	0	0	111.1	E491 V492 I523 Q524 L525 L531	E491-T506 WeakPolarHBondContact CA-O 3.42Å; V492-T506 HydrophobicContact CB-CG2 4Å; V492-T506 HydrophobicContact CG2-CG2 4.48Å; V492-T506 PolarHBondContact N-O 3.45Å; V492-T506 PolarHBondContact O-N 3.01Å; T506-I523 HydrophobicContact CG2-CG2 3.93Å; T506-Q524 PolarHBondContact OG1-O 3.49Å; T506-L525 HydrophobicContact CG2-CD2 3.73Å; T506-L531 HydrophobicContact CG2-CD2 4.34Å
507	F	86.4	Confident	74.7	Confident	27 Å²	27	38.1 Å²	38.1	12%	0.118	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	128.3	-179.3	-65.2	-94.2	0	0	0	109.7	R244 E489 L490 E491 F505	R244-F507 VanDerWaalsContact CZ-CD2 3.48Å; R244-F507 VanDerWaalsContact CZ-CG 3.42Å; E489-F507 HydrophobicContact CG-CB 4.28Å; E489-F507 HydrophobicContact CG-CD1 4.24Å; L490-F507 CarbonylContact O-C 3.33Å; E491-F507 HydrophobicContact CB-CD1 3.78Å; E491-F507 HydrophobicContact CB-CE1 3.88Å; E491-F507 HydrophobicContact CG-CD1 3.88Å; E491-F507 HydrophobicContact CG-CE1 3.56Å; E491-F507 HydrophobicContact CG-CZ 4.11Å; F505-F507 AromaticContact CD2-CD2 3.65Å; F505-F507 HydrophobicContact CD2-CD2 3.65Å; F505-F507 AromaticContact CD2-CE2 3.26Å; F505-F507 HydrophobicContact CD2-CE2 3.26Å; F505-F507 HydrophobicContact CD2-CZ 4.31Å; F505-F507 AromaticContact CE2-CD2 3.88Å; F505-F507 HydrophobicContact CE2-CD2 3.88Å; F505-F507 AromaticContact CE2-CE2 3.47Å; F505-F507 HydrophobicContact CE2-CE2 3.47Å; F505-F507 VanDerWaalsContact CE2-CE2 3.47Å; F505-F507 HydrophobicContact CG-CE2 4.29Å
508	L	79.7	Confident	72.5	Confident	8 Å²	8	42.5 Å²	42.5	4%	0.042	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	116.6	-174.8	-57.6	174.2	0	0	0	109.1	E489 L490 L510 L513 I523 I535	E489-L508 WeakPolarHBondContact CA-O 2.96Å; L490-L508 HydrophobicContact CB-CB 4.37Å; L490-L508 HydrophobicContact CD2-CD1 4.28Å; L490-L508 PolarHBondContact N-O 3.16Å; L490-L508 PolarHBondContact O-N 3.47Å; L508-L510 PolarHBondContact O-N 3.39Å; L508-L513 HydrophobicContact CB-CD1 4.2Å; L508-I523 HydrophobicContact CD1-CD1 3.84Å; L508-I523 HydrophobicContact CD2-CD1 4.29Å; L508-I523 HydrophobicContact CD2-CG2 4.07Å; L508-I535 HydrophobicContact CD1-CD1 3.26Å
509	K	73.7	Confident	70.7	Confident	44 Å²	44	45.8 Å²	45.8	19%	0.191	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	114.8	175.4	-67.4	178.7	-179.7	166.8	0	109.2	A369 S371 G511 N512	A369-K509 VanDerWaalsContact CB-NZ 3.31Å; S371-K509 WeakPolarHBondContact OG-CD 3.35Å; S371-K509 WeakPolarHBondContact OG-CG 3.47Å; K509-G511 VanDerWaalsContact C-N 3.3Å; K509-G511 PolarHBondContact O-N 2.97Å; K509-N512 HydrophobicContact CB-CB 4.29Å; K509-N512 WeakPolarHBondContact O-CB 3.49Å; K509-N512 PolarHBondContact O-N 3.41Å
510	L	68.8	Low	69.3	Low	4 Å²	4	44 Å²	44	2%	0.021	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-59	-39.8	-176	-74.5	-166.6	0	0	0	112.7	V374 L484 A487 R488 L490 L508 N512 L513 Y537	V374-L510 HydrophobicContact CG2-CB 4.23Å; L484-L510 HydrophobicContact CD1-CD1 4.07Å; L484-L510 HydrophobicContact CD2-CD1 3.8Å; A487-L510 HydrophobicContact CB-CD1 3.61Å; R488-L510 WeakPolarHBondContact O-CB 3.5Å; R488-L510 PolarHBondContact O-N 3.04Å; L490-L510 HydrophobicContact CB-CD2 3.56Å; L490-L510 HydrophobicContact CB-CG 4.44Å; L508-L510 PolarHBondContact O-N 3.39Å; L510-N512 PolarHBondContact O-N 3.41Å; L510-L513 HydrophobicContact CD2-CD1 4.05Å; L510-L513 WeakPolarHBondContact O-CB 3.39Å; L510-L513 PolarHBondContact O-N 2.92Å; L510-L513 VanDerWaalsContact O-N 3.08Å; L510-Y537 WeakPolarHBondContact CB-OH 3.37Å; L510-Y537 WeakPolarHBondContact CD1-OH 3.46Å; L510-Y537 HydrophobicContact CD2-CE2 4.39Å; L510-Y537 WeakPolarHBondContact CD2-OH 3.17Å; L510-Y537 VanDerWaalsContact CG-OH 3.26Å; L510-Y537 WeakPolarHBondContact CG-OH 3.37Å
511	G	57.3	Low	68	Low	13 Å²	13	46 Å²	46	13%	0.134	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-60.7	-24.7	174.9	0	0	0	0	0	114.6	K509 L513	K509-G511 VanDerWaalsContact C-N 3.3Å; K509-G511 PolarHBondContact O-N 2.97Å; G511-L513 VanDerWaalsContact C-N 3.34Å
512	N	60.7	Low	67.3	Low	105 Å²	105	48.4 Å²	48.4	56%	0.561	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-85.9	-8.5	178.9	-64.6	0.9	0	0	0	112.8	K509 L510	K509-N512 HydrophobicContact CB-CB 4.29Å; K509-N512 WeakPolarHBondContact O-CB 3.49Å; K509-N512 PolarHBondContact O-N 3.41Å; L510-N512 PolarHBondContact O-N 3.41Å
513	L	61.6	Low	66.7	Low	10 Å²	10	48.4 Å²	48.4	5%	0.052	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-10.3	-178.1	-66.8	171.8	0	0	0	112.7	L508 L510 G511 D515 S516 I535 Y537	L508-L513 HydrophobicContact CB-CD1 4.2Å; L510-L513 HydrophobicContact CD2-CD1 4.05Å; L510-L513 WeakPolarHBondContact O-CB 3.39Å; L510-L513 PolarHBondContact O-N 2.92Å; L510-L513 VanDerWaalsContact O-N 3.08Å; G511-L513 VanDerWaalsContact C-N 3.34Å; L513-D515 VanDerWaalsContact C-N 3.32Å; L513-D515 PolarHBondContact O-N 3.48Å; L513-S516 PolarHBondContact O-OG 3.37Å; L513-I535 HydrophobicContact CD1-CG2 4.1Å; L513-Y537 HydrophobicContact CB-CD2 3.62Å; L513-Y537 HydrophobicContact CB-CE2 3.4Å; L513-Y537 HydrophobicContact CD1-CE2 4.06Å; L513-Y537 HydrophobicContact CG-CE2 4.38Å
514	I	54.2	Low	66.3	Low	26 Å²	26	52.5 Å²	52.5	13%	0.133	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-33.8	-176.8	-65.1	173.9	0	0	0	112.1	V374 Y537 P540 I542	V374-I514 HydrophobicContact CG1-CD1 3.98Å; V374-I514 HydrophobicContact CG1-CG1 4.5Å; V374-I514 HydrophobicContact CG2-CD1 3.75Å; I514-Y537 HydrophobicContact CG1-CD1 4.33Å; I514-Y537 HydrophobicContact CG1-CE1 4.4Å; I514-P540 HydrophobicContact CD1-CB 4.35Å; I514-P540 HydrophobicContact CG1-CB 4.3Å; I514-P540 HydrophobicContact CG2-CB 3.96Å; I514-P540 HydrophobicContact CG2-CG 3.9Å; I514-I542 HydrophobicContact CD1-CG1 4.41Å
515	D	47.9	Very low	66.1	Low	104 Å²	104	52.5 Å²	52.5	56%	0.556	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-1.5	-170.5	-67.6	-33.1	0	0	0	114.5	L513	L513-D515 VanDerWaalsContact C-N 3.32Å; L513-D515 PolarHBondContact O-N 3.48Å
516	S	46.2	Very low	66	Low	24 Å²	24	53.3 Å²	53.3	17%	0.168	28%	0.279	C	S	.	.			trans	-105.9	85.9	-174	60	0	0	0	0	112.5	L513 Q518 R521	L513-S516 PolarHBondContact O-OG 3.37Å; S516-Q518 PolarHBondContact O-N 3.31Å; S516-R521 PolarHBondContact OG-NH2 3.09Å
517	Y	41.4	Very low	65.9	Low	211 Å²	211	52.8 Å²	52.8	83%	0.827	28%	0.276	S	S	*	.			trans	-73.5	68.4	164.1	-83.8	-92.2	0	0	0	110.6
518	Q	42.3	Very low	66.1	Low	152 Å²	152	55.7 Å²	55.7	71%	0.71	29%	0.29	S	S	*	.			trans	-132.7	117	177.6	-72.7	-81.5	-21.4	0	0	109.4	S516	S516-Q518 PolarHBondContact O-N 3.31Å
519	D	45.7	Very low	66.5	Low	107 Å²	107	55.4 Å²	55.4	57%	0.572	29%	0.289	S	S	*	.			trans	-72	129.2	-175.7	-73.6	-8.1	0	0	0	111.3	R536	D519-R536 IonicContact OD1-CZ 3.8Å; D519-R536 IonicContact OD1-NE 2.68Å; D519-R536 PolarHBondContact OD1-NE 3.01Å; D519-R536 IonicContact OD1-NH1 2.59Å; D519-R536 IonicContact OD1-NH2 3.2Å; D519-R536 PolarHBondContact OD1-NH2 3.38Å; D519-R536 IonicContact OD2-CZ 2.8Å; D519-R536 IonicContact OD2-NH2 2.95Å; D519-R536 PolarHBondContact OD2-NH2 2.97Å
520	G	51.5	Low	67.2	Low	46 Å²	46	54.5 Å²	54.5	47%	0.474	29%	0.287	S	S	.	.			trans	73.1	102.5	171.4	0	0	0	0	0	116.4
521	R	60.8	Low	68	Low	59 Å²	59	54.3 Å²	54.3	22%	0.223	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	132.2	175.1	-67.5	-176.4	176.9	-165.8	0.6	112.3	S516 I523 A533	S516-R521 PolarHBondContact OG-NH2 3.09Å; R521-I523 HydrophobicContact CB-CD1 4.3Å; R521-I523 HydrophobicContact CB-CG1 3.73Å; R521-A533 WeakPolarHBondContact CA-O 3.32Å; R521-A533 WeakPolarHBondContact CB-O 3.27Å; R521-A533 PolarHBondContact N-O 2.96Å; R521-A533 PolarHBondContact O-N 2.68Å; R521-A533 VanDerWaalsContact O-O 3.07Å
522	A	73.4	Confident	69.4	Low	59 Å²	59	55.3 Å²	55.3	49%	0.488	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	110.4	149.8	0	0	0	0	0	107.8	T530 F532	A522-T530 HydrophobicContact CB-CG2 3.7Å; A522-F532 HydrophobicContact CB-CD1 4.48Å; A522-F532 HydrophobicContact CB-CE1 4.34Å
523	I	79.5	Confident	70.2	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	126.3	179.9	-56	-178.6	0	0	0	108	T506 L508 R521 L525 T530 L531 A533 I535	T506-I523 HydrophobicContact CG2-CG2 3.93Å; L508-I523 HydrophobicContact CD1-CD1 3.84Å; L508-I523 HydrophobicContact CD2-CD1 4.29Å; L508-I523 HydrophobicContact CD2-CG2 4.07Å; R521-I523 HydrophobicContact CB-CD1 4.3Å; R521-I523 HydrophobicContact CB-CG1 3.73Å; I523-L525 PolarHBondContact O-N 3.42Å; I523-T530 WeakPolarHBondContact O-CA 3.43Å; I523-L531 HydrophobicContact CB-CB 4.28Å; I523-L531 PolarHBondContact N-O 3.43Å; I523-L531 PolarHBondContact O-N 3.22Å; I523-A533 HydrophobicContact CD1-CB 3.95Å; I523-I535 HydrophobicContact CD1-CD1 4Å
524	Q	84.6	Confident	70.7	Confident	87 Å²	87	51 Å²	51	41%	0.407	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	130.5	177	-173.2	55.6	42.5	0	0	109.9	T506 G529	T506-Q524 PolarHBondContact OG1-O 3.49Å; Q524-G529 PolarHBondContact NE2-O 3.07Å; Q524-G529 PolarHBondContact OE1-O 3.16Å
525	L	90	Very high	71.4	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-97.5	149.6	173	-61.1	170.4	0	0	0	110.3	L398 V494 A504 T506 I523 Q528 G529 L531	L398-L525 HydrophobicContact CD2-CD1 3.63Å; V494-L525 HydrophobicContact CG2-CD1 4.09Å; V494-L525 HydrophobicContact CG2-CD2 4.42Å; A504-L525 HydrophobicContact CB-CB 3.86Å; A504-L525 HydrophobicContact CB-CD1 3.91Å; A504-L525 HydrophobicContact CB-CG 4.38Å; T506-L525 HydrophobicContact CG2-CD2 3.73Å; I523-L525 PolarHBondContact O-N 3.42Å; L525-Q528 CarbonylContact O-C 3.56Å; L525-Q528 PolarHBondContact O-N 2.68Å; L525-G529 PolarHBondContact N-O 3.45Å; L525-L531 HydrophobicContact CD1-CB 4.05Å; L525-L531 HydrophobicContact CD2-CB 3.83Å; L525-L531 HydrophobicContact CD2-CD2 4.45Å; L525-L531 HydrophobicContact CG-CB 3.92Å
526	E	90.1	Very high	71.8	Confident	20 Å²	20	49.2 Å²	49.2	9%	0.093	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-105.1	139.5	173.4	-67.4	-58.3	150.3	0	0	110.5	L241 A311 H315 A504 F505 Q528	L241-E526 HydrophobicContact CD2-CG 4.37Å; A311-E526 HydrophobicContact CB-CB 4.2Å; A311-E526 WeakPolarHBondContact CB-OE2 3.34Å; H315-E526 IonicContact CD2-OE2 3.96Å; H315-E526 IonicContact NE2-OE1 3.57Å; H315-E526 IonicContact NE2-OE2 3.62Å; H315-E526 PolarHBondContact NE2-OE2 2.97Å; A504-E526 CarbonylContact C-O 3.55Å; A504-E526 VanDerWaalsContact CA-O 3.26Å; A504-E526 WeakPolarHBondContact CA-O 3.45Å; F505-E526 WeakPolarHBondContact CD1-O 3.45Å; F505-E526 HydrophobicContact CD2-CB 4.36Å; F505-E526 HydrophobicContact CE1-CB 4.03Å; F505-E526 HydrophobicContact CE2-CB 3.82Å; F505-E526 HydrophobicContact CE2-CG 4.46Å; F505-E526 HydrophobicContact CZ-CB 3.64Å; F505-E526 PolarHBondContact N-O 3.45Å; F505-E526 PolarHBondContact O-N 2.98Å; E526-Q528 VanDerWaalsContact C-N 3.34Å
527	P	88.9	Confident	72.4	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.019	25%	0.245	C	C	.	.	S	Bend	cis	-77.2	-15.5	-3.7	31.9	-35.7	0	0	0	113.2	L307 I310 A311 K314 L399	L307-P527 HydrophobicContact CD2-CG 4.28Å; I310-P527 HydrophobicContact CB-CB 4.23Å; I310-P527 HydrophobicContact CB-CG 4.27Å; I310-P527 HydrophobicContact CG2-CB 3.7Å; I310-P527 HydrophobicContact CG2-CG 3.82Å; A311-P527 HydrophobicContact CB-CB 3.99Å; K314-P527 WeakPolarHBondContact CD-O 3.01Å; K314-P527 PolarHBondContact NZ-O 3.18Å; L399-P527 HydrophobicContact CD2-CG 4.05Å
528	Q	89.1	Confident	72.7	Confident	87 Å²	87	42.3 Å²	42.3	41%	0.407	22%	0.221	S	C	.	.	S	Bend	trans	-154.7	147.8	-177.9	-165.3	-174.9	-78.8	0	0	111.5	S397 L525 E526	S397-Q528 WeakPolarHBondContact O-CG 3.48Å; S397-Q528 PolarHBondContact O-NE2 3.49Å; L525-Q528 CarbonylContact O-C 3.56Å; L525-Q528 PolarHBondContact O-N 2.68Å; E526-Q528 VanDerWaalsContact C-N 3.34Å
529	G	88.7	Confident	72.6	Confident	3 Å²	3	40.9 Å²	40.9	3%	0.031	22%	0.219	C	C	.	.			trans	123.4	167.6	171.2	0	0	0	0	0	112.8	Q396 S397 Q524 L525	Q396-G529 CarbonylContact O-C 3.17Å; Q396-G529 VanDerWaalsContact O-CA 3.25Å; Q396-G529 WeakPolarHBondContact O-CA 3.09Å; S397-G529 WeakPolarHBondContact O-CA 3.45Å; Q524-G529 PolarHBondContact NE2-O 3.07Å; Q524-G529 PolarHBondContact OE1-O 3.16Å; L525-G529 PolarHBondContact N-O 3.45Å
530	T	87.8	Confident	72.6	Confident	24 Å²	24	38.4 Å²	38.4	15%	0.147	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	126	175.2	-50	0	0	0	0	108.7	C395 Q396 A522 I523 F532	C395-T530 CarbonylContact C-O 3.37Å; C395-T530 VanDerWaalsContact CA-O 3.29Å; C395-T530 WeakPolarHBondContact CA-O 3.49Å; Q396-T530 PolarHBondContact N-O 3.43Å; Q396-T530 PolarHBondContact O-N 3.06Å; A522-T530 HydrophobicContact CB-CG2 3.7Å; I523-T530 WeakPolarHBondContact O-CA 3.43Å; T530-F532 HydrophobicContact CG2-CE1 4.45Å; T530-F532 HydrophobicContact CG2-CE2 4.41Å; T530-F532 HydrophobicContact CG2-CZ 4.22Å
531	L	86.7	Confident	71.9	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	126.3	171.7	176	69.9	0	0	0	108.8	L392 C395 W476 V492 T506 I523 L525 A533	L392-L531 HydrophobicContact CD2-CD1 4.21Å; L392-L531 HydrophobicContact CD2-CD2 4.25Å; L392-L531 HydrophobicContact CD2-CG 4.49Å; C395-L531 VanDerWaalsContact SG-CD1 3.52Å; W476-L531 HydrophobicContact CZ3-CD1 4.24Å; V492-L531 HydrophobicContact CB-CD2 4.28Å; V492-L531 HydrophobicContact CG1-CD2 3.87Å; V492-L531 HydrophobicContact CG2-CD2 4.43Å; T506-L531 HydrophobicContact CG2-CD2 4.34Å; I523-L531 HydrophobicContact CB-CB 4.28Å; I523-L531 PolarHBondContact N-O 3.43Å; I523-L531 PolarHBondContact O-N 3.22Å; L525-L531 HydrophobicContact CD1-CB 4.05Å; L525-L531 HydrophobicContact CD2-CB 3.83Å; L525-L531 HydrophobicContact CD2-CD2 4.45Å; L525-L531 HydrophobicContact CG-CB 3.92Å; L531-A533 HydrophobicContact CD2-CB 4.15Å; L531-A533 HydrophobicContact CG-CB 4.1Å
532	F	85.4	Confident	71.2	Confident	35 Å²	35	41.3 Å²	41.3	15%	0.154	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	105.8	173.1	-64.1	-84.1	0	0	0	108.7	M393 G394 Q396 Q473 A522 T530	M393-F532 HydrophobicContact CB-CB 3.95Å; M393-F532 HydrophobicContact CE-CB 3.77Å; M393-F532 PolarHBondContact N-O 2.6Å; G394-F532 PolarHBondContact O-N 2.96Å; Q396-F532 HydrophobicContact CB-CE2 4.17Å; Q396-F532 HydrophobicContact CG-CE2 3.68Å; Q396-F532 HydrophobicContact CG-CZ 4.12Å; Q473-F532 HydrophobicContact CB-CD2 4.11Å; Q473-F532 HydrophobicContact CB-CE2 3.97Å; Q473-F532 HydrophobicContact CG-CD2 4.29Å; Q473-F532 HydrophobicContact CG-CE2 3.66Å; Q473-F532 HydrophobicContact CG-CZ 4.09Å; A522-F532 HydrophobicContact CB-CD1 4.48Å; A522-F532 HydrophobicContact CB-CE1 4.34Å; T530-F532 HydrophobicContact CG2-CE1 4.45Å; T530-F532 HydrophobicContact CG2-CE2 4.41Å; T530-F532 HydrophobicContact CG2-CZ 4.22Å
533	A	78.4	Confident	69.5	Low	1 Å²	1	40.8 Å²	40.8	1%	0.008	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	138.7	-175.3	0	0	0	0	0	112	R391 L392 R521 I523 L531	R391-A533 CarbonylContact O-C 3.52Å; R391-A533 VanDerWaalsContact O-CA 3.24Å; R391-A533 WeakPolarHBondContact O-CA 3.46Å; L392-A533 HydrophobicContact CD2-CB 3.62Å; R521-A533 WeakPolarHBondContact CA-O 3.32Å; R521-A533 WeakPolarHBondContact CB-O 3.27Å; R521-A533 PolarHBondContact N-O 2.96Å; R521-A533 PolarHBondContact O-N 2.68Å; R521-A533 VanDerWaalsContact O-O 3.07Å; I523-A533 HydrophobicContact CD1-CB 3.95Å; L531-A533 HydrophobicContact CD2-CB 4.15Å; L531-A533 HydrophobicContact CG-CB 4.1Å
534	E	71.2	Confident	67.4	Low	22 Å²	22	51 Å²	51	10%	0.103	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	135.5	165.4	-165.7	178.2	-172.3	0	0	108.6	V390 R391 R536	V390-E534 CarbonylContact C-O 3.56Å; V390-E534 WeakPolarHBondContact CA-O 3.37Å; R391-E534 HydrophobicContact CB-CB 3.86Å; R391-E534 PolarHBondContact N-O 2.93Å; R391-E534 PolarHBondContact O-N 3.35Å; E534-R536 IonicContact OE1-CZ 2.68Å; E534-R536 IonicContact OE1-NE 2.68Å; E534-R536 PolarHBondContact OE1-NE 3.18Å; E534-R536 IonicContact OE1-NH2 2.6Å; E534-R536 PolarHBondContact OE1-NH2 3.37Å
535	I	68.8	Low	65.3	Low	19 Å²	19	51.6 Å²	51.6	10%	0.097	25%	0.253	C	S	.	.			trans	-137.2	120.6	178.6	-56.1	171.6	0	0	0	108.2	V390 L490 L508 L513 I523	V390-I535 HydrophobicContact CG2-CB 4.45Å; V390-I535 HydrophobicContact CG2-CG1 4.4Å; V390-I535 HydrophobicContact CG2-CG2 4.13Å; L490-I535 HydrophobicContact CD2-CD1 4.35Å; L508-I535 HydrophobicContact CD1-CD1 3.26Å; L513-I535 HydrophobicContact CD1-CG2 4.1Å; I523-I535 HydrophobicContact CD1-CD1 4Å
536	R	58.3	Low	62.9	Low	74 Å²	74	54.4 Å²	54.4	28%	0.279	27%	0.271	S	S	.	.			trans	-124.5	138.4	179.4	-60.9	-171.8	-171.8	-158	0.4	111	V387 D519 E534	V387-R536 VanDerWaalsContact CG1-NH1 3.32Å; D519-R536 IonicContact OD1-CZ 3.8Å; D519-R536 IonicContact OD1-NE 2.68Å; D519-R536 PolarHBondContact OD1-NE 3.01Å; D519-R536 IonicContact OD1-NH1 2.59Å; D519-R536 IonicContact OD1-NH2 3.2Å; D519-R536 PolarHBondContact OD1-NH2 3.38Å; D519-R536 IonicContact OD2-CZ 2.8Å; D519-R536 IonicContact OD2-NH2 2.95Å; D519-R536 PolarHBondContact OD2-NH2 2.97Å; E534-R536 IonicContact OE1-CZ 2.68Å; E534-R536 IonicContact OE1-NE 2.68Å; E534-R536 PolarHBondContact OE1-NE 3.18Å; E534-R536 IonicContact OE1-NH2 2.6Å; E534-R536 PolarHBondContact OE1-NH2 3.37Å
537	Y	58.4	Low	60.7	Low	26 Å²	26	60.5 Å²	60.5	10%	0.102	30%	0.297	C	S	.	.			trans	-98.4	134.2	176.8	-102.3	-86.9	0	0	0	111.1	V374 L484 L510 L513 I514	V374-Y537 HydrophobicContact CB-CE1 4.48Å; V374-Y537 HydrophobicContact CG1-CD1 4.47Å; V374-Y537 HydrophobicContact CG1-CE1 3.74Å; L484-Y537 HydrophobicContact CD1-CE1 3.6Å; L484-Y537 WeakPolarHBondContact CD1-OH 3.47Å; L510-Y537 WeakPolarHBondContact CB-OH 3.37Å; L510-Y537 WeakPolarHBondContact CD1-OH 3.46Å; L510-Y537 HydrophobicContact CD2-CE2 4.39Å; L510-Y537 WeakPolarHBondContact CD2-OH 3.17Å; L510-Y537 VanDerWaalsContact CG-OH 3.26Å; L510-Y537 WeakPolarHBondContact CG-OH 3.37Å; L513-Y537 HydrophobicContact CB-CD2 3.62Å; L513-Y537 HydrophobicContact CB-CE2 3.4Å; L513-Y537 HydrophobicContact CD1-CE2 4.06Å; L513-Y537 HydrophobicContact CG-CE2 4.38Å; I514-Y537 HydrophobicContact CG1-CD1 4.33Å; I514-Y537 HydrophobicContact CG1-CE1 4.4Å
538	L	46.3	Very low	58.5	Low	64 Å²	64	60.7 Å²	60.7	34%	0.335	30%	0.298	S	S	.	.			trans	-122.7	133.2	174.3	-69.3	172.9	0	0	0	111	F100 S388	F100-L538 HydrophobicContact CE2-CD1 4.32Å; S388-L538 VanDerWaalsContact CB-CD1 3.43Å; S388-L538 WeakPolarHBondContact OG-CD1 3.33Å
539	N	41.3	Very low	56.3	Low	122 Å²	122	63 Å²	63	65%	0.652	31%	0.309	S	S	*	.	S	Bend	trans	44.9	60	-179.8	-78.9	-26.3	0	0	0	114.2	V541	N539-V541 PolarHBondContact O-N 2.99Å
540	P	44.9	Very low	54.1	Low	56 Å²	56	63.6 Å²	63.6	36%	0.364	31%	0.31	S	S	.	.			trans	-61.8	107.1	176.4	27.3	-34.1	0	0	0	110	V374 I514	V374-P540 HydrophobicContact CG1-CB 4.43Å; I514-P540 HydrophobicContact CD1-CB 4.35Å; I514-P540 HydrophobicContact CG1-CB 4.3Å; I514-P540 HydrophobicContact CG2-CB 3.96Å; I514-P540 HydrophobicContact CG2-CG 3.9Å
541	V	38.3	Very low	52.1	Low	92 Å²	92	63.5 Å²	63.5	56%	0.558	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	100.8	168.7	-177.1	0	0	0	0	107.2	S375 N539 S543	S375-V541 PolarHBondContact N-O 2.92Å; S375-V541 VanDerWaalsContact N-O 3.1Å; S375-V541 PolarHBondContact O-N 3.36Å; N539-V541 PolarHBondContact O-N 2.99Å; V541-S543 PolarHBondContact O-N 2.87Å
542	I	44.2	Very low	50.2	Low	74 Å²	74	69.9 Å²	69.9	38%	0.379	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	103.7	173.1	-57.1	173.3	0	0	0	107.1	I514 R544	I514-I542 HydrophobicContact CD1-CG1 4.41Å; I542-R544 PolarHBondContact O-N 3.49Å; I542-R544 VanDerWaalsContact O-N 3.13Å
543	S	38.5	Very low	48.2	Very low	48 Å²	48	74.1 Å²	74.1	34%	0.336	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-63.1	117.3	177.3	80.1	0	0	0	0	109.8	V541	V541-S543 PolarHBondContact O-N 2.87Å
544	R	35.2	Very low	46.3	Very low	215 Å²	215	76.4 Å²	76.4	81%	0.811	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-88.4	151.2	167.1	-64.9	-176.7	178.1	-163.9	-1.4	109	I542	I542-R544 PolarHBondContact O-N 3.49Å; I542-R544 VanDerWaalsContact O-N 3.13Å
545	K	41.7	Very low	44.7	Very low	99 Å²	99	79.2 Å²	79.2	43%	0.43	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-83.1	134.5	175.5	-81.7	175.5	169.7	172	0	111	D180	D180-K545 IonicContact OD1-NZ 2.7Å; D180-K545 PolarHBondContact OD1-NZ 3.47Å; D180-K545 WeakPolarHBondContact OD2-CD 3.29Å; D180-K545 WeakPolarHBondContact OD2-CE 3.44Å; D180-K545 IonicContact OD2-NZ 3.53Å; D180-K545 PolarHBondContact OD2-NZ 3.34Å
546	P	39.5	Very low	43.3	Very low	58 Å²	58	83.5 Å²	83.5	38%	0.377	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-56.8	138.8	174.5	-28.4	35.9	0	0	0	114	L548 D926	P546-L548 HydrophobicContact CB-CD1 3.88Å; P546-L548 HydrophobicContact CB-CG 4.14Å; P546-L548 PolarHBondContact O-N 3.3Å; P546-D926 WeakPolarHBondContact CA-OD1 3.04Å; P546-D926 HydrophobicContact CB-CB 4.4Å; P546-D926 WeakPolarHBondContact CB-OD1 3.42Å; P546-D926 HydrophobicContact CG-CB 4.45Å
547	K	43.2	Very low	42.4	Very low	148 Å²	148	83.2 Å²	83.2	64%	0.643	40%	0.396	S	S	*	.			trans	-93.9	44.2	177.5	-73.7	-174.1	177.2	176.6	0	113.5	Q549	K547-Q549 PolarHBondContact O-N 3.03Å; K547-Q549 VanDerWaalsContact O-N 3.14Å
548	L	42.4	Very low	41.2	Very low	8 Å²	8	87.2 Å²	87.2	4%	0.042	41%	0.413	C	S	.	.			trans	-89.2	76.4	-173.3	-61.4	164.8	0	0	0	112.4	P546 Q551 R552 E922 F925 D926 V929	P546-L548 HydrophobicContact CB-CD1 3.88Å; P546-L548 HydrophobicContact CB-CG 4.14Å; P546-L548 PolarHBondContact O-N 3.3Å; L548-Q551 HydrophobicContact CB-CB 4Å; L548-R552 WeakPolarHBondContact O-CG 3.44Å; L548-R552 PolarHBondContact O-N 3.13Å; L548-E922 HydrophobicContact CD1-CG 4.29Å; L548-F925 HydrophobicContact CD1-CB 4.08Å; L548-F925 HydrophobicContact CD2-CB 3.93Å; L548-D926 HydrophobicContact CD1-CB 4.34Å; L548-V929 HydrophobicContact CD2-CB 4.46Å; L548-V929 HydrophobicContact CD2-CG2 3.85Å
549	Q	44.2	Very low	40.6	Very low	136 Å²	136	87.5 Å²	87.5	64%	0.636	43%	0.425	S	S	*	.	H	α-helix	trans	-67.4	-40.7	-176.8	-85	-170.5	-1.9	0	0	114.4	K547	K547-Q549 PolarHBondContact O-N 3.03Å; K547-Q549 VanDerWaalsContact O-N 3.14Å
550	R	42.1	Very low	40.4	Very low	14 Å²	14	89 Å²	89	5%	0.053	43%	0.428	C	S	.	.	H	α-helix	trans	-75.8	-37.3	-176	-153.1	-164.8	-177.8	146.7	-16.3	111.6	R552 K553 L554 S874 V887 L888 E890	R550-R552 VanDerWaalsContact C-N 3.34Å; R550-R552 PolarHBondContact O-N 3.36Å; R550-K553 WeakPolarHBondContact O-CB 3.41Å; R550-K553 PolarHBondContact O-N 3.32Å; R550-L554 HydrophobicContact CG-CD1 3.88Å; R550-L554 PolarHBondContact O-N 3.14Å; R550-S874 PolarHBondContact NH2-O 3.31Å; R550-V887 WeakPolarHBondContact CD-O 3.48Å; R550-V887 PolarHBondContact NH1-O 2.84Å; R550-V887 VanDerWaalsContact NH1-O 3.09Å; R550-L888 WeakPolarHBondContact CB-O 3.26Å; R550-E890 WeakPolarHBondContact CD-O 3.49Å; R550-E890 PolarHBondContact NE-O 3.4Å; R550-E890 PolarHBondContact NH1-O 3.17Å
551	Q	45.8	Very low	40	Very low	22 Å²	22	94.2 Å²	94.2	10%	0.103	45%	0.445	C	S	.	.	H	α-helix	trans	-56	-46.6	173.8	-166.1	179.6	-12	0	0	111.4	L548 K553 L554 F555	L548-Q551 HydrophobicContact CB-CB 4Å; Q551-K553 PolarHBondContact O-N 2.87Å; Q551-K553 VanDerWaalsContact O-N 3.15Å; Q551-L554 PolarHBondContact O-N 3.49Å; Q551-L554 VanDerWaalsContact O-N 3.16Å; Q551-F555 HydrophobicContact CB-CD2 4.23Å; Q551-F555 HydrophobicContact CB-CE2 4.47Å; Q551-F555 HydrophobicContact CG-CD2 3.16Å; Q551-F555 HydrophobicContact CG-CE2 3.21Å; Q551-F555 HydrophobicContact CG-CG 4.14Å; Q551-F555 HydrophobicContact CG-CZ 4.21Å; Q551-F555 WeakPolarHBondContact O-CB 3.43Å; Q551-F555 VanDerWaalsContact O-CD2 3.32Å; Q551-F555 WeakPolarHBondContact O-CD2 3.44Å; Q551-F555 PolarHBondContact O-N 3Å
552	R	45.9	Very low	39.7	Very low	135 Å²	135	95.7 Å²	95.7	51%	0.509	45%	0.454	S	S	.	.	H	α-helix	trans	-62.8	-23.9	178.1	-65.8	175.7	96.4	-176.5	8.4	113.4	V173 L548 R550	V173-R552 VanDerWaalsContact CG1-NH2 3.27Å; L548-R552 WeakPolarHBondContact O-CG 3.44Å; L548-R552 PolarHBondContact O-N 3.13Å; R550-R552 VanDerWaalsContact C-N 3.34Å; R550-R552 PolarHBondContact O-N 3.36Å
553	K	44.5	Very low	38.9	Very low	123 Å²	123	98.6 Å²	98.6	54%	0.535	47%	0.47	S	S	.	.	H	α-helix	trans	-83.6	-42.8	172.7	-67.2	-179.5	-177.8	175.4	0	112.2	R550 Q551 V557	R550-K553 WeakPolarHBondContact O-CB 3.41Å; R550-K553 PolarHBondContact O-N 3.32Å; Q551-K553 PolarHBondContact O-N 2.87Å; Q551-K553 VanDerWaalsContact O-N 3.15Å; K553-V557 WeakPolarHBondContact O-CG2 3.4Å; K553-V557 PolarHBondContact O-N 3.09Å
554	L	37	Very low	38.5	Very low	49 Å²	49	102.2 Å²	102.2	26%	0.257	49%	0.492	S	S	.	.	H	α-helix	trans	-75.5	-36.2	-178.7	-87	148.8	0	0	0	113.6	R550 Q551 R556 V557 K558 F876	R550-L554 HydrophobicContact CG-CD1 3.88Å; R550-L554 PolarHBondContact O-N 3.14Å; Q551-L554 PolarHBondContact O-N 3.49Å; Q551-L554 VanDerWaalsContact O-N 3.16Å; L554-R556 VanDerWaalsContact C-N 3.33Å; L554-V557 CarbonylContact O-C 3.55Å; L554-V557 WeakPolarHBondContact O-CA 3.44Å; L554-V557 WeakPolarHBondContact O-CB 3.4Å; L554-V557 PolarHBondContact O-N 3.19Å; L554-V557 VanDerWaalsContact O-N 3.08Å; L554-K558 PolarHBondContact O-N 3.22Å; L554-F876 HydrophobicContact CD1-CB 3.7Å; L554-F876 HydrophobicContact CD1-CD1 4.39Å; L554-F876 HydrophobicContact CD1-CD2 3.73Å; L554-F876 HydrophobicContact CD1-CE2 4.44Å; L554-F876 HydrophobicContact CD1-CG 3.69Å; L554-F876 HydrophobicContact CD2-CB 4.25Å
555	F	38.1	Very low	38.2	Very low	81 Å²	81	98.1 Å²	98.1	36%	0.355	49%	0.49	S	S	.	.	H	α-helix	trans	-73.8	-25	175.8	-80.7	-102.6	0	0	0	112.1	Q551 V557 K558 A559	Q551-F555 HydrophobicContact CB-CD2 4.23Å; Q551-F555 HydrophobicContact CB-CE2 4.47Å; Q551-F555 HydrophobicContact CG-CD2 3.16Å; Q551-F555 HydrophobicContact CG-CE2 3.21Å; Q551-F555 HydrophobicContact CG-CG 4.14Å; Q551-F555 HydrophobicContact CG-CZ 4.21Å; Q551-F555 WeakPolarHBondContact O-CB 3.43Å; Q551-F555 VanDerWaalsContact O-CD2 3.32Å; Q551-F555 WeakPolarHBondContact O-CD2 3.44Å; Q551-F555 PolarHBondContact O-N 3Å; F555-V557 PolarHBondContact O-N 3.04Å; F555-K558 PolarHBondContact O-N 3.18Å; F555-A559 WeakPolarHBondContact O-CB 3.35Å; F555-A559 PolarHBondContact O-N 3.24Å
556	R	38.9	Very low	37.6	Very low	109 Å²	109	104.7 Å²	104.7	41%	0.411	51%	0.513	S	S	.	.	H	α-helix	trans	-62.8	-33.9	164.9	-111.9	178.2	169	-172.9	-6.2	112.1	M170 L554 Q560	M170-R556 PolarHBondContact SD-NH1 3.4Å; L554-R556 VanDerWaalsContact C-N 3.33Å; R556-Q560 WeakPolarHBondContact O-CG 3.44Å; R556-Q560 PolarHBondContact O-N 3.34Å; R556-Q560 PolarHBondContact O-OE1 3.31Å
557	V	39.8	Very low	37.2	Very low	69 Å²	69	107.5 Å²	107.5	42%	0.418	53%	0.531	S	S	.	.	H	α-helix	trans	-83.4	-32.9	178.3	178.8	0	0	0	0	112.1	K553 L554 F555 K561	K553-V557 WeakPolarHBondContact O-CG2 3.4Å; K553-V557 PolarHBondContact O-N 3.09Å; L554-V557 CarbonylContact O-C 3.55Å; L554-V557 WeakPolarHBondContact O-CA 3.44Å; L554-V557 WeakPolarHBondContact O-CB 3.4Å; L554-V557 PolarHBondContact O-N 3.19Å; L554-V557 VanDerWaalsContact O-N 3.08Å; F555-V557 PolarHBondContact O-N 3.04Å; V557-K561 HydrophobicContact CG1-CD 4.45Å; V557-K561 VanDerWaalsContact O-CG 3.27Å; V557-K561 WeakPolarHBondContact O-CG 3.34Å; V557-K561 PolarHBondContact O-N 3.31Å
558	K	33.1	Very low	36.7	Very low	109 Å²	109	104.2 Å²	104.2	47%	0.474	54%	0.539	S	S	.	.	H	α-helix	trans	-80.2	-34.7	175.1	-77	-175.5	176.2	-179.7	0	113.3	L554 F555 Q560 K561 V562	L554-K558 PolarHBondContact O-N 3.22Å; F555-K558 PolarHBondContact O-N 3.18Å; K558-Q560 PolarHBondContact O-N 3.1Å; K558-K561 CarbonylContact O-C 3.36Å; K558-K561 WeakPolarHBondContact O-CA 3.42Å; K558-K561 PolarHBondContact O-N 3.04Å; K558-V562 PolarHBondContact O-N 3.22Å
559	A	34	Very low	36.4	Very low	71 Å²	71	113 Å²	113	59%	0.587	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-21	171.1	0	0	0	0	0	112.8	F555	F555-A559 WeakPolarHBondContact O-CB 3.35Å; F555-A559 PolarHBondContact O-N 3.24Å
560	Q	37.1	Very low	36.1	Very low	152 Å²	152	114.1 Å²	114.1	71%	0.71	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-12	167	-82.7	175.9	-27.2	0	0	113.7	R556 K558	R556-Q560 WeakPolarHBondContact O-CG 3.44Å; R556-Q560 PolarHBondContact O-N 3.34Å; R556-Q560 PolarHBondContact O-OE1 3.31Å; K558-Q560 PolarHBondContact O-N 3.1Å
561	K	36.4	Very low	35.8	Very low	167 Å²	167	121.4 Å²	121.4	73%	0.726	62%	0.621	S	S	*	*	S	Bend	trans	-101.5	2.4	178.4	-74.5	178.6	177.7	-169	0	114	V557 K558	V557-K561 HydrophobicContact CG1-CD 4.45Å; V557-K561 VanDerWaalsContact O-CG 3.27Å; V557-K561 WeakPolarHBondContact O-CG 3.34Å; V557-K561 PolarHBondContact O-N 3.31Å; K558-K561 CarbonylContact O-C 3.36Å; K558-K561 WeakPolarHBondContact O-CA 3.42Å; K558-K561 PolarHBondContact O-N 3.04Å
562	V	32	Very low	35.6	Very low	123 Å²	123	126.9 Å²	126.9	75%	0.745	66%	0.656	S	S	*	*			trans	-124.4	68.5	169.4	-170.4	0	0	0	0	108.8	K558	K558-V562 PolarHBondContact O-N 3.22Å
563	L	27.3	Very low	35.5	Very low	134 Å²	134	123.3 Å²	123.3	70%	0.702	66%	0.655	S	S	*	*			trans	-122.2	129.1	163.2	-81.5	168.7	0	0	0	108.2	V565	L563-V565 PolarHBondContact O-N 3.3Å
564	P	31.2	Very low	35.6	Very low	124 Å²	124	119.1 Å²	119.1	81%	0.805	64%	0.643	S	S	*	*			trans	-66.7	133.1	174	28.6	-30.4	0	0	0	109.2	R566	P564-R566 PolarHBondContact O-N 3.46Å
565	V	28.6	Very low	35.6	Very low	129 Å²	129	125.8 Å²	125.8	78%	0.782	67%	0.665	S	S	*	*			trans	-54.8	130.1	178.9	173.7	0	0	0	0	111.6	L563	L563-V565 PolarHBondContact O-N 3.3Å
566	R	27.5	Very low	35.9	Very low	238 Å²	238	124 Å²	124	90%	0.898	67%	0.669	S	S	*	*				-178.7	109.2	121.7	-94.4	174	-166.5	-174	4.7	110.3	P564	P564-R566 PolarHBondContact O-N 3.46Å
567	P	32.8	Very low	36.3	Very low	117 Å²	117	126.8 Å²	126.8	76%	0.76	68%	0.68	S	S	*	*			trans	-128.5	118.2	151.9	19	1.4	0	0	0	110.3	Q569	P567-Q569 PolarHBondContact O-N 3.12Å
568	G	31.9	Very low	36.7	Very low	78 Å²	78	128.2 Å²	128.2	80%	0.804	68%	0.684	S	S	*	*			trans	-57.7	123.4	169.6	0	0	0	0	0	110.1
569	Q	35.7	Very low	37.4	Very low	192 Å²	192	127.5 Å²	127.5	90%	0.897	68%	0.684	S	S	*	*			trans	66.7	90.7	163.4	-61	177	-24.7	0	0	117.5	P567	P567-Q569 PolarHBondContact O-N 3.12Å
570	M	37.7	Very low	38.1	Very low	160 Å²	160	132.2 Å²	132.2	79%	0.788	69%	0.691	S	S	*	*			trans	-153.2	131.3	138.5	-120.5	171	67.6	0	0	112.7	A574	M570-A574 HydrophobicContact CE-CB 4.48Å
571	H	37.5	Very low	38.3	Very low	167 Å²	167	132.5 Å²	132.5	77%	0.773	69%	0.693	S	S	*	*			trans	-90.8	149.2	-159.7	-146.2	-155.6	0	0	0	112.7	A573 A574	H571-A573 PolarHBondContact O-N 3.34Å; H571-A574 PolarHBondContact O-N 3.2Å; H571-A574 VanDerWaalsContact O-N 3.08Å
572	V	40.4	Very low	38.4	Very low	138 Å²	138	131.8 Å²	131.8	84%	0.836	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-15.7	-166.5	178.6	0	0	0	0	115.2
573	A	43.6	Very low	38.7	Very low	60 Å²	60	132.6 Å²	132.6	50%	0.496	68%	0.684	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.3	-3.7	176.6	0	0	0	0	0	115.2	H571 R577	H571-A573 PolarHBondContact O-N 3.34Å; A573-R577 PolarHBondContact O-NE 3.1Å
574	A	46.9	Very low	38.9	Very low	34 Å²	34	131.2 Å²	131.2	28%	0.281	68%	0.683	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.4	-30.2	-179.1	0	0	0	0	0	113.5	M570 H571	M570-A574 HydrophobicContact CE-CB 4.48Å; H571-A574 PolarHBondContact O-N 3.2Å; H571-A574 VanDerWaalsContact O-N 3.08Å
575	W	36.3	Very low	38.8	Very low	190 Å²	190	134.1 Å²	134.1	72%	0.72	69%	0.686	S	S	*	*	H	α-helix	trans	-77.3	-32.7	174.7	-122.7	70.6	0	0	0	112.3	R577 I578 I579	W575-R577 VanDerWaalsContact C-N 3.27Å; W575-R577 PolarHBondContact O-N 3.11Å; W575-I578 PolarHBondContact O-N 3.07Å; W575-I579 HydrophobicContact CE3-CD1 3.73Å; W575-I579 HydrophobicContact CZ3-CD1 3.84Å; W575-I579 PolarHBondContact O-N 3.33Å
576	G	44.8	Very low	38.8	Very low	42 Å²	42	137 Å²	137	43%	0.433	69%	0.693	S	S	.	*	H	α-helix	trans	-69	-17	173.4	0	0	0	0	0	115.2
577	R	48.7	Very low	38.8	Very low	169 Å²	169	131.9 Å²	131.9	64%	0.638	69%	0.692	S	S	*	*	H	α-helix	trans	-87.8	-31.5	175.2	-84.5	-175.6	-93.8	176.5	-10.3	113.3	A573 W575 K580 Q581	A573-R577 PolarHBondContact O-NE 3.1Å; W575-R577 VanDerWaalsContact C-N 3.27Å; W575-R577 PolarHBondContact O-N 3.11Å; R577-K580 PolarHBondContact O-N 3.18Å; R577-Q581 WeakPolarHBondContact O-CB 3.34Å; R577-Q581 PolarHBondContact O-N 3.21Å
578	I	46.4	Very low	38.5	Very low	98 Å²	98	134.9 Å²	134.9	50%	0.503	70%	0.696	S	S	.	*	H	α-helix	trans	-76.2	-34	177.1	-66	168.9	0	0	0	111	W575	W575-I578 PolarHBondContact O-N 3.07Å
579	I	48.6	Very low	38.4	Very low	94 Å²	94	138.7 Å²	138.7	48%	0.482	70%	0.698	S	S	.	*	H	α-helix	trans	-66.9	-35.5	173.4	-71.5	175.9	0	0	0	111.2	W575 F583	W575-I579 HydrophobicContact CE3-CD1 3.73Å; W575-I579 HydrophobicContact CZ3-CD1 3.84Å; W575-I579 PolarHBondContact O-N 3.33Å; I579-F583 HydrophobicContact CG2-CE2 3.99Å; I579-F583 WeakPolarHBondContact O-CD2 3.46Å; I579-F583 WeakPolarHBondContact O-CE2 3.49Å
580	K	48.2	Very low	38.3	Very low	170 Å²	170	134.1 Å²	134.1	74%	0.739	69%	0.693	S	S	*	*	H	α-helix	trans	-82.7	-9.4	179.8	-83.5	-177	175	-179.3	0	115.9	R577 F583	R577-K580 PolarHBondContact O-N 3.18Å; K580-F583 HydrophobicContact CG-CE2 4.47Å
581	Q	42.6	Very low	38	Very low	158 Å²	158	132.8 Å²	132.8	74%	0.738	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	3.8	-175.5	-155.4	167.4	6.9	0	0	114.5	R577	R577-Q581 WeakPolarHBondContact O-CB 3.34Å; R577-Q581 PolarHBondContact O-N 3.21Å
582	F	37.1	Very low	37.6	Very low	153 Å²	153	128.6 Å²	128.6	67%	0.671	69%	0.688	S	S	*	*	S	Bend	trans	-118.8	12.7	169.3	-72.6	-81	0	0	0	113.5	F161	F161-F582 HydrophobicContact CE2-CE1 4.37Å
583	F	38.2	Very low	37.3	Very low	139 Å²	139	127.6 Å²	127.6	61%	0.61	68%	0.682	S	S	*	*			trans	-77.3	-168.4	157	-74.3	-96.8	0	0	0	109.8	I579 K580	I579-F583 HydrophobicContact CG2-CE2 3.99Å; I579-F583 WeakPolarHBondContact O-CD2 3.46Å; I579-F583 WeakPolarHBondContact O-CE2 3.49Å; K580-F583 HydrophobicContact CG-CE2 4.47Å
584	P	32.2	Very low	36.8	Very low	106 Å²	106	130.4 Å²	130.4	69%	0.688	69%	0.693	S	S	*	*				-117.1	171.6	-76.4	34.2	-16.7	0	0	0	111.3
585	Q	29.7	Very low	35.8	Very low	185 Å²	185	134 Å²	134	86%	0.864	72%	0.717	S	S	*	*			trans	55.3	91.8	167.7	-69.8	-177.5	-31.9	0	0	118.5
586	M	28.5	Very low	35.8	Very low	189 Å²	189	131 Å²	131	93%	0.931	72%	0.721	S	S	*	*			trans	-171.4	125	145.2	-61.6	-156.7	93.1	0	0	105.3
587	C	26.1	Very low	35.1	Very low	131 Å²	131	134.7 Å²	134.7	89%	0.885	74%	0.741	S	S	*	*			cis	-116.8	113.7	26.9	-55.7	0	0	0	0	112.7
588	Q	28	Very low	34.2	Very low	179 Å²	179	129.8 Å²	129.8	84%	0.836	74%	0.742	S	S	*	*			trans	-109.8	117.4	137.5	-82.6	179	-13.9	0	0	104.7
589	D	29.7	Very low	33.5	Very low	158 Å²	158	130.7 Å²	130.7	85%	0.845	76%	0.757	S	S	*	*			trans	169.3	142.4	136.7	-83.6	-19.9	0	0	0	110.7
590	A	33.1	Very low	32.5	Very low	96 Å²	96	130.7 Å²	130.7	79%	0.793	77%	0.771	S	S	*	*	S	Bend	trans	84.3	112.7	177.5	0	0	0	0	0	115.5
591	V	32.3	Very low	31.8	Very low	133 Å²	133	128.9 Å²	128.9	81%	0.806	78%	0.775	S	S	*	*			cis	-154.2	146.4	8.1	-175.3	0	0	0	0	107.9
592	A	28.8	Very low	31.3	Very low	78 Å²	78	129.1 Å²	129.1	65%	0.645	78%	0.781	S	S	*	*			trans	-40.5	156.5	159.5	0	0	0	0	0	111.8
593	T	33.3	Very low	31	Very low	117 Å²	117	125.7 Å²	125.7	72%	0.718	79%	0.788	S	S	*	*				-177.8	128.5	74	-10.2	0	0	0	0	108.8
594	T	32.6	Very low	30.6	Very low	119 Å²	119	130.8 Å²	130.8	73%	0.73	80%	0.803	S	S	*	*			trans	43	117.6	137	58.1	0	0	0	0	120.5
595	S	26.7	Very low	30.5	Very low	111 Å²	111	130.3 Å²	130.3	78%	0.776	80%	0.803	S	S	*	*			trans	-41.5	159.3	151.3	37.3	0	0	0	0	114.5
596	P	37.2	Very low	30.4	Very low	126 Å²	126	132.3 Å²	132.3	82%	0.818	80%	0.802	S	S	*	*				-136.1	143.8	119.2	30.8	-16	0	0	0	113.9
597	S	28.7	Very low	30.4	Very low	120 Å²	120	130.7 Å²	130.7	84%	0.839	80%	0.797	S	S	*	*			trans	-74.8	152.2	164.6	32.8	0	0	0	0	112
598	G	30.2	Very low	30.5	Very low	65 Å²	65	131.6 Å²	131.6	67%	0.67	79%	0.791	S	S	*	*			trans	120.1	129.1	143.7	0	0	0	0	0	117.9
599	S	31.4	Very low	30.6	Very low	117 Å²	117	128.9 Å²	128.9	82%	0.818	79%	0.787	S	S	*	*			trans	68.4	101.7	157.3	36.3	0	0	0	0	117.3
600	A	29	Very low	30.4	Very low	94 Å²	94	129.5 Å²	129.5	78%	0.777	79%	0.785	S	S	*	*				62.8	114.1	80.4	0	0	0	0	0	113.4
601	V	33.7	Very low	30.2	Very low	133 Å²	133	132.6 Å²	132.6	81%	0.806	79%	0.787	S	S	*	*				165.7	124	121.9	164	0	0	0	0	109.6
602	N	30.7	Very low	30	Very low	163 Å²	163	131.4 Å²	131.4	87%	0.872	79%	0.785	S	S	*	*			trans	6.5	139.1	150.7	-61.9	-26.8	0	0	0	120.2
603	G	31.1	Very low	29.8	Very low	80 Å²	80	136 Å²	136	83%	0.825	79%	0.793	S	S	*	*			trans	165.5	91.6	152	0	0	0	0	0	116.5
604	R	28.8	Very low	29.8	Very low	246 Å²	246	136.2 Å²	136.2	93%	0.928	80%	0.796	S	S	*	*			trans	-34.4	149.9	164.8	-86.9	168.7	160.4	172	-4.9	117.2
605	S	30.3	Very low	29.5	Very low	96 Å²	96	135.1 Å²	135.1	67%	0.671	79%	0.794	S	S	*	*				107.9	113.1	127.2	-113.1	0	0	0	0	120.2
606	R	28	Very low	29.6	Very low	227 Å²	227	139.5 Å²	139.5	86%	0.857	80%	0.799	S	S	*	*				48.7	122.8	128.9	-65	-178.4	-176.6	178.5	0.5	120.2
607	L	29.7	Very low	29	Very low	156 Å²	156	144.1 Å²	144.1	82%	0.817	80%	0.8	S	S	*	*				162.5	108.9	121.2	-86.3	155	0	0	0	108
608	I	26.6	Very low	29	Very low	149 Å²	149	146.6 Å²	146.6	76%	0.764	80%	0.803	S	S	*	*				38.2	112.3	104.8	-55.1	177	0	0	0	112.8
609	T	30.1	Very low	28.8	Very low	123 Å²	123	148.5 Å²	148.5	76%	0.755	80%	0.802	S	S	*	*				-179.7	147.3	114.6	-54.9	0	0	0	0	110.1
610	Q	25.9	Very low	28.6	Very low	171 Å²	171	147.6 Å²	147.6	80%	0.799	80%	0.795	S	S	*	*			trans	-38.8	155.2	177.8	-60.6	160.4	-23.2	0	0	117.2
611	L	29.3	Very low	28.5	Very low	160 Å²	160	148.1 Å²	148.1	84%	0.838	79%	0.794	S	S	*	*				170.4	114.3	124.4	-85.9	156.1	0	0	0	112.4
612	S	28.6	Very low	28.5	Very low	109 Å²	109	150.3 Å²	150.3	76%	0.762	80%	0.799	S	S	*	*			trans	25.9	142	138.8	8.4	0	0	0	0	124.3
613	E	24.7	Very low	28.4	Very low	173 Å²	173	148.3 Å²	148.3	81%	0.808	79%	0.788	S	S	*	*			trans	-49.8	167.6	171	-60.6	-172.9	154.8	0	0	116.7
614	P	31.5	Very low	28.5	Very low	122 Å²	122	152.5 Å²	152.5	79%	0.792	78%	0.784	S	S	*	*			trans	-131.1	137.7	131	33.5	-20.3	0	0	0	114.6
615	S	26.9	Very low	28.4	Very low	96 Å²	96	148.2 Å²	148.2	67%	0.671	78%	0.779	S	S	*	*			trans	-70.2	155.3	168.5	-40.4	0	0	0	0	112.9
616	F	29.5	Very low	28.5	Very low	204 Å²	204	152.2 Å²	152.2	90%	0.895	79%	0.787	S	S	*	*			trans	-131.7	113.8	154.8	-98	-86.8	0	0	0	110.4
617	R	24.1	Very low	28.4	Very low	223 Å²	223	146.3 Å²	146.3	84%	0.842	78%	0.781	S	S	*	*			trans	-92.3	154	158.8	-78	-174.2	-171.2	-175.5	3	108.4
618	L	29.5	Very low	28.4	Very low	171 Å²	171	144.4 Å²	144.4	90%	0.895	78%	0.775	S	S	*	*			trans	-148.2	131.7	144.7	-102.1	154.2	0	0	0	109.4
619	T	25.2	Very low	28.4	Very low	106 Å²	106	148.6 Å²	148.6	65%	0.65	78%	0.781	S	S	*	*			trans	-112.9	156.7	-174.6	46.4	0	0	0	0	111.4
620	S	28.1	Very low	28.2	Very low	97 Å²	97	146.4 Å²	146.4	68%	0.678	78%	0.784	S	S	*	*			trans	70.4	114.6	143.2	62.3	0	0	0	0	121.7
621	S	26.3	Very low	28.5	Very low	106 Å²	106	143.4 Å²	143.4	74%	0.741	79%	0.788	S	S	*	*				73.1	125.9	121.1	-48	0	0	0	0	120.1
622	I	33.9	Very low	28.5	Very low	178 Å²	178	144.4 Å²	144.4	91%	0.913	79%	0.788	S	S	*	*				-175.5	147.3	120.5	-88.4	152.7	0	0	0	110
623	D	29.3	Very low	28.6	Very low	121 Å²	121	145.6 Å²	145.6	65%	0.647	79%	0.791	S	S	*	*			trans	-89	163.7	-162.7	-130.3	-9.1	0	0	0	114.2
624	K	31.6	Very low	28.9	Very low	169 Å²	169	143 Å²	143	74%	0.735	79%	0.787	S	S	*	*			trans	75.4	112.9	143.1	-72.4	166.3	-174.4	165.9	0	122.7
625	N	28.1	Very low	29	Very low	156 Å²	156	142.9 Å²	142.9	83%	0.834	79%	0.789	S	S	*	*				66.6	145.7	120.2	-98.1	2.3	0	0	0	123.5
626	E	30.9	Very low	29.1	Very low	179 Å²	179	141.4 Å²	141.4	84%	0.836	79%	0.789	S	S	*	*			trans	98.5	102.9	157.3	-71.7	-175	165.3	0	0	121.5
627	S	27	Very low	29.2	Very low	103 Å²	103	140.4 Å²	140.4	72%	0.72	79%	0.792	S	S	*	*				71.9	110.7	108.2	-144.1	0	0	0	0	122.3
628	V	28.4	Very low	29.4	Very low	116 Å²	116	140.5 Å²	140.5	70%	0.703	79%	0.794	S	S	*	*				78.9	128.8	123.8	176.6	0	0	0	0	122.1
629	R	27.5	Very low	29.6	Very low	237 Å²	237	138 Å²	138	89%	0.894	79%	0.788	S	S	*	*			trans	76.8	105.6	152.8	-87.2	167.3	-161.8	-144.4	3.3	121.2
630	G	26.8	Very low	30	Very low	78 Å²	78	138 Å²	138	80%	0.804	79%	0.792	S	S	*	*				77.4	117	96.9	0	0	0	0	0	119.5
631	A	31	Very low	30.2	Very low	108 Å²	108	140.5 Å²	140.5	89%	0.893	80%	0.797	S	S	*	*				173.5	147.8	121.7	0	0	0	0	0	112.3
632	Q	29.5	Very low	30.3	Very low	180 Å²	180	146.9 Å²	146.9	84%	0.841	81%	0.805	S	S	*	*			trans	-79	168.7	-173.9	-59.2	167.6	-61.1	0	0	114.2
633	V	31.9	Very low	30.1	Very low	134 Å²	134	146.7 Å²	146.7	81%	0.812	80%	0.8	S	S	*	*			trans	177.1	97.7	133.1	170.5	0	0	0	0	106.4
634	T	30.2	Very low	30.2	Very low	119 Å²	119	149.1 Å²	149.1	73%	0.73	81%	0.812	S	S	*	*				76	143.5	84	65.7	0	0	0	0	118.7
635	S	33.7	Very low	30	Very low	120 Å²	120	150 Å²	150	84%	0.839	82%	0.819	S	S	*	*			trans	85	124.4	162	-173.5	0	0	0	0	117.6
636	G	28.8	Very low	30.1	Very low	64 Å²	64	150.5 Å²	150.5	66%	0.66	82%	0.816	S	S	*	*			cis	136.5	130.8	9.1	0	0	0	0	0	110.5
637	L	31.1	Very low	30	Very low	183 Å²	183	153.2 Å²	153.2	96%	0.958	82%	0.819	S	S	*	*			trans	141.9	123.3	145.5	-75	151.8	0	0	0	116
638	Y	28	Very low	30.5	Very low	226 Å²	226	154.8 Å²	154.8	89%	0.886	82%	0.824	S	S	*	*			trans	-75.6	-175.4	173.5	-85.6	-91.9	0	0	0	112.3
639	P	34.1	Very low	30.7	Very low	119 Å²	119	158.9 Å²	158.9	77%	0.773	83%	0.832	S	S	*	*			cis	-149.6	-171.1	25.3	39.8	-14.3	0	0	0	118.7
640	S	34.8	Very low	30.9	Very low	104 Å²	104	151.2 Å²	151.2	73%	0.727	82%	0.819	S	S	*	*			trans	-93.8	152.2	-176.8	58.5	0	0	0	0	116.3
641	L	32.1	Very low	31.2	Very low	151 Å²	151	154.4 Å²	154.4	79%	0.791	82%	0.818	S	S	*	*			trans	-163.3	127.2	156.2	-98.6	118.4	0	0	0	107.3
642	R	27.3	Very low	31.4	Very low	239 Å²	239	157.1 Å²	157.1	90%	0.902	82%	0.817	S	S	*	*				40.1	78.1	69.3	-86.7	-163.5	-178.7	-177.6	1.1	113.9
643	E	29.9	Very low	31.6	Very low	174 Å²	174	152.9 Å²	152.9	81%	0.813	81%	0.813	S	S	*	*			trans	174.3	149.8	148.2	-98.6	159.8	-170.9	0	0	107.7
644	L	30.6	Very low	31.7	Very low	173 Å²	173	153.4 Å²	153.4	91%	0.906	82%	0.817	S	S	*	*			trans	114.8	53	-177.9	-61.3	163.6	0	0	0	114.8
645	Q	27.8	Very low	32	Very low	188 Å²	188	153.1 Å²	153.1	88%	0.879	82%	0.817	S	S	*	*			trans	-84.3	147.7	132.1	-82.7	174	-59	0	0	107.7
646	E	30.4	Very low	32	Very low	165 Å²	165	158.4 Å²	158.4	77%	0.771	82%	0.82	S	S	*	*			trans	89.1	131.6	174.5	-54.7	-173.8	167.6	0	0	117.7
647	R	29.7	Very low	32.4	Very low	236 Å²	236	159.8 Å²	159.8	89%	0.891	82%	0.819	S	S	*	*			trans	83.5	112.5	177.1	-50.8	172.8	-176.3	-169.8	-0.5	111.7
648	V	36.9	Very low	32.4	Very low	137 Å²	137	160.3 Å²	160.3	83%	0.83	81%	0.814	S	S	*	*				-152.7	128.1	70	172.2	0	0	0	0	111.3
649	K	32.6	Very low	32.5	Very low	202 Å²	202	161.6 Å²	161.6	88%	0.878	82%	0.817	S	S	*	*			trans	-94.5	156.4	156.7	-80.8	179.9	172.6	178.8	0	108
650	A	32.1	Very low	32.4	Very low	75 Å²	75	161.2 Å²	161.2	62%	0.62	81%	0.808	S	S	*	*			trans	73.2	135.3	169	0	0	0	0	0	113.2
651	D	33.4	Very low	32.3	Very low	145 Å²	145	163.3 Å²	163.3	78%	0.775	82%	0.816	S	S	*	*			cis	-154.5	164.8	25	-89.2	-48.2	0	0	0	110.2
652	D	35.2	Very low	32.1	Very low	165 Å²	165	163.7 Å²	163.7	88%	0.882	81%	0.814	S	S	*	*			trans	138.4	109.2	134.7	-74.4	-28.4	0	0	0	115.3
653	A	32.8	Very low	32.4	Very low	92 Å²	92	158 Å²	158	76%	0.76	81%	0.811	S	S	*	*			trans	-107.1	140.5	173.1	0	0	0	0	0	109.9
654	V	34.2	Very low	32.6	Very low	145 Å²	145	154.7 Å²	154.7	88%	0.879	81%	0.813	S	S	*	*			trans	-146.5	127.6	154.6	-175.5	0	0	0	0	110.2
655	P	35.9	Very low	32.6	Very low	113 Å²	113	151.1 Å²	151.1	73%	0.734	81%	0.809	S	S	*	*			trans	-115.7	155.9	-177.5	39.8	-29.4	0	0	0	114.7
656	Y	35	Very low	33.2	Very low	230 Å²	230	147.6 Å²	147.6	90%	0.902	80%	0.802	S	S	*	*			trans	-175.2	140.7	153.6	-133.4	-116.1	0	0	0	107.2
657	S	36.6	Very low	33.5	Very low	93 Å²	93	143.7 Å²	143.7	65%	0.65	79%	0.793	S	S	*	*			cis	-169.8	143.3	11.9	18.9	0	0	0	0	109.3
658	K	31.2	Very low	34.2	Very low	194 Å²	194	140.8 Å²	140.8	84%	0.843	79%	0.792	S	S	*	*			trans	-68.1	150.7	173.2	-75.4	173.1	173.1	174.2	0	112.7
659	R	30.8	Very low	34.8	Very low	254 Å²	254	140 Å²	140	96%	0.958	78%	0.783	S	S	*	*			trans	-137.8	126	140.7	-149.1	177.6	-92.9	-150	-1.5	110.8
660	L	30.7	Very low	35.5	Very low	110 Å²	110	136.3 Å²	136.3	58%	0.576	77%	0.769	S	S	*	*			trans	-67.8	142.7	-172.1	-120.1	76.3	0	0	0	113.2	Q662	L660-Q662 HydrophobicContact CD2-CG 3.81Å; L660-Q662 HydrophobicContact CG-CG 4.36Å
661	V	32.8	Very low	36	Very low	149 Å²	149	141.4 Å²	141.4	90%	0.903	78%	0.777	S	S	*	*			trans	-136.6	117.7	138.7	179.7	0	0	0	0	107.3
662	Q	29.1	Very low	37	Very low	159 Å²	159	139.3 Å²	139.3	74%	0.743	77%	0.765	S	S	*	*			trans	-85.1	139.8	179.5	-74.1	162.3	-37.1	0	0	110.7	L660	L660-Q662 HydrophobicContact CD2-CG 3.81Å; L660-Q662 HydrophobicContact CG-CG 4.36Å
663	S	33.2	Very low	38.5	Very low	119 Å²	119	140.2 Å²	140.2	83%	0.832	76%	0.756	S	S	*	*				-167.3	129.4	129	51.1	0	0	0	0	112.4
664	A	33.9	Very low	39.6	Very low	105 Å²	105	140.2 Å²	140.2	87%	0.868	75%	0.746	S	S	*	*			trans	54.5	99.9	157.5	0	0	0	0	0	120.5
665	A	31.6	Very low	40.9	Very low	98 Å²	98	135.7 Å²	135.7	81%	0.81	72%	0.722	S	S	*	*			trans	-105.1	139.1	159.4	0	0	0	0	0	110.1
666	P	38.6	Very low	42.5	Very low	113 Å²	113	136.1 Å²	136.1	73%	0.734	71%	0.714	S	S	*	*			trans	-76.5	150.5	165.6	-0	17.4	0	0	0	111.1
667	S	38.3	Very low	44.1	Very low	83 Å²	83	130.6 Å²	130.6	58%	0.58	70%	0.696	S	S	*	*			trans	-64.1	148.4	-167.2	54.5	0	0	0	0	116	D669 E670	S667-D669 PolarHBondContact O-N 2.9Å; S667-E670 PolarHBondContact O-N 3.37Å
668	M	43.5	Very low	45.3	Very low	176 Å²	176	131.6 Å²	131.6	87%	0.867	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	-13.1	-177.9	-149.9	156	94.5	0	0	115.4
669	D	49.5	Very low	47.1	Very low	120 Å²	120	130.4 Å²	130.4	64%	0.642	68%	0.682	S	S	*	*	H	α-helix	trans	-73.6	-25.4	178.7	-90.8	-15.6	0	0	0	114	S667 R673	S667-D669 PolarHBondContact O-N 2.9Å; D669-R673 PolarHBondContact O-N 2.93Å; D669-R673 VanDerWaalsContact O-N 3.17Å
670	E	46.3	Very low	49.2	Very low	125 Å²	125	126.3 Å²	126.3	58%	0.584	67%	0.667	S	S	*	*	H	α-helix	trans	-78	-35	-174.8	-148.4	166.1	-170.1	0	0	111.9	S667 L672 R673 V674	S667-E670 PolarHBondContact O-N 3.37Å; E670-L672 VanDerWaalsContact C-N 3.35Å; E670-L672 PolarHBondContact O-N 2.77Å; E670-R673 PolarHBondContact O-N 3.22Å; E670-V674 WeakPolarHBondContact O-CG2 3.38Å; E670-V674 PolarHBondContact O-N 2.88Å
671	K	43.1	Very low	51.1	Low	181 Å²	181	125.6 Å²	125.6	79%	0.787	66%	0.663	S	S	*	*	H	α-helix	trans	-68	-31.6	174.3	-78.6	-173.4	175.8	-176.2	0	113	S675	K671-S675 PolarHBondContact O-N 3.13Å
672	L	55.8	Low	52.6	Low	102 Å²	102	124.4 Å²	124.4	53%	0.534	65%	0.647	S	S	.	*	H	α-helix	trans	-76.8	-37.6	176.9	-167.3	65.9	0	0	0	111.5	E670 S675 Q676	E670-L672 VanDerWaalsContact C-N 3.35Å; E670-L672 PolarHBondContact O-N 2.77Å; L672-S675 PolarHBondContact O-N 3.45Å; L672-Q676 WeakPolarHBondContact O-CG 3.17Å; L672-Q676 PolarHBondContact O-N 3.13Å
673	R	65.4	Low	54.4	Low	183 Å²	183	124.5 Å²	124.5	69%	0.691	65%	0.645	S	S	*	*	H	α-helix	trans	-61.4	-48.3	172.9	-91.6	-175.9	166.9	-176	-3.5	112.3	D669 E670 S675 Q676 E677	D669-R673 PolarHBondContact O-N 2.93Å; D669-R673 VanDerWaalsContact O-N 3.17Å; E670-R673 PolarHBondContact O-N 3.22Å; R673-S675 VanDerWaalsContact C-N 3.32Å; R673-S675 PolarHBondContact O-N 3.33Å; R673-Q676 PolarHBondContact O-N 3Å; R673-Q676 VanDerWaalsContact O-N 3.13Å; R673-E677 PolarHBondContact O-N 2.9Å
674	V	56.8	Low	56	Low	92 Å²	92	123.3 Å²	123.3	56%	0.558	63%	0.627	S	S	*	*	H	α-helix	trans	-62.9	-36.9	179	175.3	0	0	0	0	112	E670 M678	E670-V674 WeakPolarHBondContact O-CG2 3.38Å; E670-V674 PolarHBondContact O-N 2.88Å; V674-M678 WeakPolarHBondContact O-CB 3.06Å; V674-M678 WeakPolarHBondContact O-CG 3.3Å; V674-M678 PolarHBondContact O-N 3.42Å
675	S	60.5	Low	57.2	Low	51 Å²	51	122.2 Å²	122.2	36%	0.357	61%	0.609	S	S	.	*	H	α-helix	trans	-70.7	-30	175.9	-166	0	0	0	0	113.3	K671 L672 R673 R679	K671-S675 PolarHBondContact O-N 3.13Å; L672-S675 PolarHBondContact O-N 3.45Å; R673-S675 VanDerWaalsContact C-N 3.32Å; R673-S675 PolarHBondContact O-N 3.33Å; S675-R679 PolarHBondContact O-N 3.13Å
676	Q	70	Confident	58.2	Low	122 Å²	122	123.2 Å²	123.2	57%	0.57	60%	0.6	S	S	*	*	H	α-helix	trans	-77.9	-38.8	174.7	-74.3	179.4	-6.6	0	0	112.2	L672 R673 R679 R680	L672-Q676 WeakPolarHBondContact O-CG 3.17Å; L672-Q676 PolarHBondContact O-N 3.13Å; R673-Q676 PolarHBondContact O-N 3Å; R673-Q676 VanDerWaalsContact O-N 3.13Å; Q676-R679 PolarHBondContact O-N 3.48Å; Q676-R680 WeakPolarHBondContact O-CB 3.35Å; Q676-R680 PolarHBondContact O-N 3.36Å; Q676-R680 VanDerWaalsContact O-N 3.08Å
677	E	67.9	Low	59.1	Low	114 Å²	114	124.3 Å²	124.3	53%	0.533	60%	0.595	S	S	.	*	H	α-helix	trans	-63.4	-43	174.6	-139.3	89.8	-155.3	0	0	111	R673 R679 R680 L681	R673-E677 PolarHBondContact O-N 2.9Å; E677-R679 PolarHBondContact O-N 2.9Å; E677-R680 WeakPolarHBondContact O-CB 3.48Å; E677-R680 PolarHBondContact O-N 2.97Å; E677-R680 VanDerWaalsContact O-N 3.11Å; E677-L681 PolarHBondContact O-N 3.31Å
678	M	61.6	Low	59.7	Low	114 Å²	114	126 Å²	126	56%	0.562	60%	0.598	S	S	*	*	H	α-helix	trans	-59.2	-45.1	175.5	-84.6	-83.6	-75.3	0	0	112.5	V674 R680 L681 E682	V674-M678 WeakPolarHBondContact O-CB 3.06Å; V674-M678 WeakPolarHBondContact O-CG 3.3Å; V674-M678 PolarHBondContact O-N 3.42Å; M678-R680 VanDerWaalsContact C-N 3.27Å; M678-R680 PolarHBondContact O-N 3.47Å; M678-L681 PolarHBondContact O-N 3.01Å; M678-E682 WeakPolarHBondContact O-CG 3.37Å; M678-E682 PolarHBondContact O-N 2.79Å
679	R	69.7	Low	59.9	Low	169 Å²	169	124 Å²	124	64%	0.638	58%	0.584	S	S	*	*	H	α-helix	trans	-68.4	-26.1	176.1	-73.4	-171.8	-130.8	-165.3	-0.5	113.2	S675 Q676 E677 K683	S675-R679 PolarHBondContact O-N 3.13Å; Q676-R679 PolarHBondContact O-N 3.48Å; E677-R679 PolarHBondContact O-N 2.9Å; R679-K683 PolarHBondContact O-N 3.15Å
680	R	75.7	Confident	59.8	Low	168 Å²	168	125 Å²	125	63%	0.634	59%	0.589	S	S	*	*	H	α-helix	trans	-75.3	-44.1	176.7	-155.5	177.9	-176.6	170	2	110.7	Q676 E677 M678 K683 E684	Q676-R680 WeakPolarHBondContact O-CB 3.35Å; Q676-R680 PolarHBondContact O-N 3.36Å; Q676-R680 VanDerWaalsContact O-N 3.08Å; E677-R680 WeakPolarHBondContact O-CB 3.48Å; E677-R680 PolarHBondContact O-N 2.97Å; E677-R680 VanDerWaalsContact O-N 3.11Å; M678-R680 VanDerWaalsContact C-N 3.27Å; M678-R680 PolarHBondContact O-N 3.47Å; R680-K683 PolarHBondContact O-N 3.19Å; R680-E684 PolarHBondContact O-N 3.13Å
681	L	69	Low	59.8	Low	95 Å²	95	123.5 Å²	123.5	50%	0.497	59%	0.592	S	S	.	*	H	α-helix	trans	-64.8	-38.5	173.7	-75.9	166	0	0	0	112.2	E677 M678 K683 E684 V685	E677-L681 PolarHBondContact O-N 3.31Å; M678-L681 PolarHBondContact O-N 3.01Å; L681-K683 VanDerWaalsContact C-N 3.3Å; L681-K683 PolarHBondContact O-N 3.02Å; L681-E684 PolarHBondContact O-N 3.15Å; L681-V685 WeakPolarHBondContact O-CB 3.32Å; L681-V685 VanDerWaalsContact O-CG2 3.31Å; L681-V685 WeakPolarHBondContact O-CG2 3.42Å; L681-V685 PolarHBondContact O-N 2.88Å
682	E	64.3	Low	59.9	Low	123 Å²	123	120.6 Å²	120.6	58%	0.575	59%	0.589	S	S	*	*	H	α-helix	trans	-59.8	-39	172.6	-80.3	178	162.4	0	0	112.3	M678 L686	M678-E682 WeakPolarHBondContact O-CG 3.37Å; M678-E682 PolarHBondContact O-N 2.79Å; E682-L686 WeakPolarHBondContact O-CB 3.34Å; E682-L686 PolarHBondContact O-N 2.93Å; E682-L686 VanDerWaalsContact O-N 3.11Å
683	K	68.4	Low	59	Low	161 Å²	161	127.9 Å²	127.9	70%	0.7	61%	0.61	S	S	*	*	H	α-helix	trans	-70.9	-36.8	174.9	-89.8	-175.8	174.2	-178.6	0	113.2	R679 R680 L681 L686 Q687	R679-K683 PolarHBondContact O-N 3.15Å; R680-K683 PolarHBondContact O-N 3.19Å; L681-K683 VanDerWaalsContact C-N 3.3Å; L681-K683 PolarHBondContact O-N 3.02Å; K683-L686 PolarHBondContact O-N 3.43Å; K683-Q687 PolarHBondContact O-N 3.03Å
684	E	66.3	Low	57.6	Low	94 Å²	94	122.8 Å²	122.8	44%	0.439	62%	0.615	S	S	.	*	H	α-helix	trans	-70.8	-38.1	177.1	-76.4	178	-178.8	0	0	111.8	R680 L681 L686 Q687 L688	R680-E684 PolarHBondContact O-N 3.13Å; L681-E684 PolarHBondContact O-N 3.15Å; E684-L686 VanDerWaalsContact C-N 3.33Å; E684-L686 PolarHBondContact O-N 3.37Å; E684-Q687 PolarHBondContact O-N 3.13Å; E684-L688 WeakPolarHBondContact O-CB 3.35Å; E684-L688 VanDerWaalsContact O-CG 3.32Å; E684-L688 WeakPolarHBondContact O-CG 3.06Å; E684-L688 PolarHBondContact O-N 3.41Å
685	V	59.8	Low	56.7	Low	82 Å²	82	122.8 Å²	122.8	50%	0.497	62%	0.624	S	S	.	*	H	α-helix	trans	-66.4	-35.4	173.3	173.6	0	0	0	0	111.3	L681 K689	L681-V685 WeakPolarHBondContact O-CB 3.32Å; L681-V685 VanDerWaalsContact O-CG2 3.31Å; L681-V685 WeakPolarHBondContact O-CG2 3.42Å; L681-V685 PolarHBondContact O-N 2.88Å; V685-K689 PolarHBondContact O-N 3.38Å; V685-K689 VanDerWaalsContact O-N 3.12Å
686	L	51.2	Low	55.8	Low	119 Å²	119	127.6 Å²	127.6	62%	0.623	65%	0.646	S	S	*	*	H	α-helix	trans	-68.3	-38.7	173.8	-140.2	86	0	0	0	112.2	E682 K683 E684 L690	E682-L686 WeakPolarHBondContact O-CB 3.34Å; E682-L686 PolarHBondContact O-N 2.93Å; E682-L686 VanDerWaalsContact O-N 3.11Å; K683-L686 PolarHBondContact O-N 3.43Å; E684-L686 VanDerWaalsContact C-N 3.33Å; E684-L686 PolarHBondContact O-N 3.37Å; L686-L690 WeakPolarHBondContact O-CD1 3.34Å; L686-L690 PolarHBondContact O-N 2.91Å
687	Q	58.3	Low	54.4	Low	136 Å²	136	126.9 Å²	126.9	64%	0.636	65%	0.654	S	S	*	*	H	α-helix	trans	-70.6	-35	175.5	-82.2	-175.4	-5.9	0	0	112.8	K683 E684 L690 S691	K683-Q687 PolarHBondContact O-N 3.03Å; E684-Q687 PolarHBondContact O-N 3.13Å; Q687-L690 PolarHBondContact O-N 3.17Å; Q687-S691 PolarHBondContact O-N 3.14Å; Q687-S691 PolarHBondContact O-OG 3.06Å
688	L	50.9	Low	52.9	Low	120 Å²	120	126.3 Å²	126.3	63%	0.628	67%	0.669	S	S	*	*	H	α-helix	trans	-71.4	-31.1	177.1	-73.5	165.6	0	0	0	112.6	E684 L690 S691 T692	E684-L688 WeakPolarHBondContact O-CB 3.35Å; E684-L688 VanDerWaalsContact O-CG 3.32Å; E684-L688 WeakPolarHBondContact O-CG 3.06Å; E684-L688 PolarHBondContact O-N 3.41Å; L688-L690 VanDerWaalsContact C-N 3.27Å; L688-L690 PolarHBondContact O-N 3.33Å; L688-S691 PolarHBondContact O-N 2.87Å; L688-T692 PolarHBondContact O-OG1 3.45Å
689	K	48.3	Very low	51.8	Low	132 Å²	132	126.7 Å²	126.7	57%	0.574	68%	0.683	S	S	*	*	H	α-helix	trans	-69.8	-20.4	170	-78.7	-167.7	175.9	-169.2	0	113.5	V685 S1045	V685-K689 PolarHBondContact O-N 3.38Å; V685-K689 VanDerWaalsContact O-N 3.12Å; K689-S1045 PolarHBondContact NZ-OXT 3.15Å
690	L	46.9	Very low	50.1	Low	142 Å²	142	123.7 Å²	123.7	74%	0.743	69%	0.688	S	S	*	*	H	α-helix	trans	-91	-10.9	177.3	-78.3	155.6	0	0	0	113.8	L686 Q687 L688	L686-L690 WeakPolarHBondContact O-CD1 3.34Å; L686-L690 PolarHBondContact O-N 2.91Å; Q687-L690 PolarHBondContact O-N 3.17Å; L688-L690 VanDerWaalsContact C-N 3.27Å; L688-L690 PolarHBondContact O-N 3.33Å
691	S	46.4	Very low	48.4	Very low	93 Å²	93	123.9 Å²	123.9	65%	0.65	70%	0.699	S	S	*	*	S	Bend	trans	-100.5	-1.5	-170.5	-52.6	0	0	0	0	115.4	Q687 L688	Q687-S691 PolarHBondContact O-N 3.14Å; Q687-S691 PolarHBondContact O-OG 3.06Å; L688-S691 PolarHBondContact O-N 2.87Å
692	T	44	Very low	46.7	Very low	120 Å²	120	122.4 Å²	122.4	74%	0.736	71%	0.708	S	S	*	*	S	Bend	trans	-111.1	20.3	-169.6	34.1	0	0	0	0	115.3	L688	L688-T692 PolarHBondContact O-OG1 3.45Å
693	R	38.2	Very low	45	Very low	255 Å²	255	125.1 Å²	125.1	96%	0.962	73%	0.725	S	S	*	*			trans	-124.3	90.3	172.9	-94.8	178.9	151	179	-5.6	111.6
694	G	36.2	Very low	43.4	Very low	77 Å²	77	122.8 Å²	122.8	79%	0.794	73%	0.726	S	S	*	*			trans	-157.5	102.4	169.3	0	0	0	0	0	111.5
695	A	37.8	Very low	41.7	Very low	91 Å²	91	124.5 Å²	124.5	75%	0.752	74%	0.743	S	S	*	*			trans	157.3	129.7	135.1	0	0	0	0	0	112
696	N	41	Very low	40.5	Very low	152 Å²	152	125.4 Å²	125.4	81%	0.813	76%	0.759	S	S	*	*			trans	107.1	90.9	154.9	-56.5	-13.6	0	0	0	119.5
697	S	40.9	Very low	39.7	Very low	108 Å²	108	128.1 Å²	128.1	76%	0.755	77%	0.769	S	S	*	*				73.4	92.6	121.5	60.9	0	0	0	0	120.7
698	A	35.3	Very low	39.2	Very low	101 Å²	101	130.4 Å²	130.4	84%	0.835	78%	0.779	S	S	*	*				41.2	105.8	119.7	0	0	0	0	0	119.9
699	S	39	Very low	39.5	Very low	123 Å²	123	127.9 Å²	127.9	86%	0.86	78%	0.776	S	S	*	*				-157.1	139	119.1	44.1	0	0	0	0	110.4
700	S	34.8	Very low	40.7	Very low	105 Å²	105	128.2 Å²	128.2	73%	0.734	78%	0.781	S	S	*	*			trans	-58.1	142.1	-176.9	49.1	0	0	0	0	114
701	I	38.6	Very low	42.6	Very low	172 Å²	172	122.2 Å²	122.2	88%	0.882	75%	0.75	S	S	*	*				167.9	121.4	128.7	-82.3	150.7	0	0	0	109.4
702	G	34.1	Very low	44.6	Very low	65 Å²	65	120.9 Å²	120.9	67%	0.67	74%	0.737	S	S	*	*			trans	80.7	104.3	155.3	0	0	0	0	0	117.6	P704	G702-P704 WeakPolarHBondContact O-CD 3.4Å
703	L	28	Very low	46.8	Very low	179 Å²	179	117.7 Å²	117.7	94%	0.937	72%	0.715	S	S	*	*			trans	-73.6	124	154.7	-83.9	122.1	0	0	0	109.1
704	P	35.7	Very low	49.4	Very low	112 Å²	112	109.1 Å²	109.1	73%	0.727	70%	0.699	S	S	*	*			trans	-97.2	122	147.4	15.1	4.3	0	0	0	107.9	G702 A706	G702-P704 WeakPolarHBondContact O-CD 3.4Å; P704-A706 PolarHBondContact O-N 3.15Å; P704-A706 VanDerWaalsContact O-N 3.1Å
705	T	30.9	Very low	52.1	Low	131 Å²	131	106.6 Å²	106.6	80%	0.804	67%	0.667	S	S	*	*			trans	-46.5	115	160	37.9	0	0	0	0	109.3	E707	T705-E707 PolarHBondContact O-N 3.47Å
706	A	33.5	Very low	54.8	Low	100 Å²	100	102.6 Å²	102.6	83%	0.826	63%	0.633	S	S	*	*			trans	-73	76.3	178	0	0	0	0	0	110.2	P704 Q708	P704-A706 PolarHBondContact O-N 3.15Å; P704-A706 VanDerWaalsContact O-N 3.1Å; A706-Q708 PolarHBondContact O-N 2.9Å
707	E	34.8	Very low	57.4	Low	177 Å²	177	98.7 Å²	98.7	83%	0.827	61%	0.609	S	S	*	*			trans	-59.5	120.9	147.9	-84.1	-177.4	149.2	0	0	106.1	T705 A709	T705-E707 PolarHBondContact O-N 3.47Å; E707-A709 VanDerWaalsContact C-N 3.27Å; E707-A709 PolarHBondContact O-N 3.45Å
708	Q	47.8	Very low	60.1	Low	183 Å²	183	95.8 Å²	95.8	86%	0.855	58%	0.584	S	S	*	*			trans	-55.8	92.3	175.3	-77.4	167.2	-29.1	0	0	108.7	A706 M710	A706-Q708 PolarHBondContact O-N 2.9Å; Q708-M710 PolarHBondContact O-N 2.93Å
709	A	57	Low	63	Low	67 Å²	67	92.5 Å²	92.5	55%	0.554	55%	0.554	S	S	*	*			trans	-58.8	110.8	-178.3	0	0	0	0	0	108.5	E707 M711	E707-A709 VanDerWaalsContact C-N 3.27Å; E707-A709 PolarHBondContact O-N 3.45Å; A709-M711 PolarHBondContact O-N 2.92Å
710	M	73.1	Confident	65.8	Low	140 Å²	140	87.1 Å²	87.1	69%	0.69	52%	0.516	S	S	*	.			trans	-49.3	133.1	179.8	-75.4	178.5	150.9	0	0	110.1	Q708	Q708-M710 PolarHBondContact O-N 2.93Å
711	M	86.5	Confident	68.7	Low	16 Å²	16	82.1 Å²	82.1	8%	0.079	48%	0.481	C	S	.	.			trans	-67.2	134.6	178.5	-178.4	167.7	-69.6	0	0	110.2	A709 F716 Y735 Y783 A784 F786 V795	A709-M711 PolarHBondContact O-N 2.92Å; M711-F716 HydrophobicContact CE-CZ 4.41Å; M711-F716 HydrophobicContact CG-CE2 3.67Å; M711-F716 HydrophobicContact CG-CZ 4.18Å; M711-F716 HydrophobicContact SD-CE2 3.59Å; M711-F716 VanDerWaalsContact SD-CE2 3.59Å; M711-F716 HydrophobicContact SD-CZ 3.45Å; M711-F716 WeakPolarHBondContact SD-CZ 3.4Å; M711-Y735 HydrophobicContact CE-CD2 4.4Å; M711-Y735 HydrophobicContact CE-CE1 4.13Å; M711-Y735 HydrophobicContact CE-CE2 3.61Å; M711-Y735 VanDerWaalsContact CE-CZ 3.48Å; M711-Y735 WeakPolarHBondContact CE-OH 3.39Å; M711-Y735 HydrophobicContact CG-CE2 4.36Å; M711-Y735 HydrophobicContact SD-CE2 4.28Å; M711-Y783 HydrophobicContact CE-CD1 4.11Å; M711-Y783 HydrophobicContact CE-CE1 3.55Å; M711-A784 HydrophobicContact CE-CB 4.37Å; M711-A784 HydrophobicContact SD-CB 3.83Å; M711-F786 HydrophobicContact CG-CD1 4.03Å; M711-F786 HydrophobicContact CG-CE1 4.48Å; M711-F786 VanDerWaalsContact O-CB 3.31Å; M711-F786 WeakPolarHBondContact O-CB 3.06Å; M711-F786 HydrophobicContact SD-CD1 4.29Å; M711-V795 HydrophobicContact SD-CG2 4.11Å
712	T	90.2	Very high	71.4	Confident	64 Å²	64	74.6 Å²	74.6	39%	0.393	44%	0.443	S	S	.	.			trans	-127.1	163.6	-179.8	71	0	0	0	0	111.1	A714 D715 F716	T712-A714 PolarHBondContact O-N 3.23Å; T712-A714 PolarHBondContact OG1-N 3.35Å; T712-D715 PolarHBondContact N-OD2 2.95Å; T712-D715 WeakPolarHBondContact O-CB 3.49Å; T712-D715 PolarHBondContact O-N 3.46Å; T712-D715 VanDerWaalsContact O-N 3.11Å; T712-D715 PolarHBondContact OG1-OD2 2.94Å; T712-F716 WeakPolarHBondContact O-CD2 3.39Å
713	I	90.1	Very high	74.1	Confident	53 Å²	53	72.1 Å²	72.1	27%	0.272	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-59.3	-29.9	174.2	-175.2	58.1	0	0	0	113.1	D715 F716 L718 L744 F786 F1018	I713-D715 PolarHBondContact O-N 2.79Å; I713-F716 HydrophobicContact CD1-CB 4.45Å; I713-F716 PolarHBondContact O-N 2.74Å; I713-L718 HydrophobicContact CD1-CD2 3.95Å; I713-L744 HydrophobicContact CD1-CD2 4.5Å; I713-F786 HydrophobicContact CB-CE2 4.21Å; I713-F1018 HydrophobicContact CB-CE1 3.96Å; I713-F1018 HydrophobicContact CB-CZ 4.23Å; I713-F1018 HydrophobicContact CD1-CE1 3.61Å; I713-F1018 HydrophobicContact CD1-CE2 4.05Å; I713-F1018 HydrophobicContact CD1-CZ 3.2Å; I713-F1018 HydrophobicContact CG1-CD1 4.42Å; I713-F1018 HydrophobicContact CG1-CE1 3.39Å; I713-F1018 HydrophobicContact CG1-CZ 3.6Å; I713-F1018 HydrophobicContact CG2-CE1 4.44Å
714	A	91.4	Very high	76.9	Confident	75 Å²	75	71 Å²	71	62%	0.62	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-64.1	-23.3	179.9	0	0	0	0	0	112.3	T712 F716 R736	T712-A714 PolarHBondContact O-N 3.23Å; T712-A714 PolarHBondContact OG1-N 3.35Å; A714-F716 PolarHBondContact O-N 3.07Å; A714-R736 PolarHBondContact O-NE 3.26Å
715	D	93.3	Very high	78.7	Confident	24 Å²	24	67.8 Å²	67.8	13%	0.128	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-74.5	-5.9	176.1	-58	-69.8	0	0	0	113.1	T712 I713 Y735 R736 R737	T712-D715 PolarHBondContact N-OD2 2.95Å; T712-D715 WeakPolarHBondContact O-CB 3.49Å; T712-D715 PolarHBondContact O-N 3.46Å; T712-D715 VanDerWaalsContact O-N 3.11Å; T712-D715 PolarHBondContact OG1-OD2 2.94Å; I713-D715 PolarHBondContact O-N 2.79Å; D715-Y735 HydrophobicContact CB-CD2 4.01Å; D715-Y735 HydrophobicContact CB-CE2 3.46Å; D715-Y735 VanDerWaalsContact CB-CE2 3.46Å; D715-Y735 WeakPolarHBondContact O-CD2 3.4Å; D715-R736 VanDerWaalsContact O-CB 3.28Å; D715-R736 WeakPolarHBondContact O-CB 3.44Å; D715-R736 VanDerWaalsContact O-CG 3.28Å; D715-R736 WeakPolarHBondContact O-CG 3.22Å; D715-R736 PolarHBondContact O-N 2.98Å; D715-R737 VanDerWaalsContact CG-NH2 3.3Å; D715-R737 IonicContact OD1-CZ 3.34Å; D715-R737 IonicContact OD1-NE 3.11Å; D715-R737 PolarHBondContact OD1-NE 2.78Å; D715-R737 VanDerWaalsContact OD1-NE 3.11Å; D715-R737 IonicContact OD1-NH2 2.78Å; D715-R737 PolarHBondContact OD1-NH2 3.13Å; D715-R737 IonicContact OD2-NH2 3.29Å; D715-R737 PolarHBondContact OD2-NH2 3.2Å
716	F	95.1	Very high	80.7	Confident	8 Å²	8	67.1 Å²	67.1	4%	0.035	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	146.5	-179.4	-67.1	-89.5	0	0	0	112.6	M711 T712 I713 A714 R734 Y735 R736 Y742 L744 F786 V795	M711-F716 HydrophobicContact CE-CZ 4.41Å; M711-F716 HydrophobicContact CG-CE2 3.67Å; M711-F716 HydrophobicContact CG-CZ 4.18Å; M711-F716 HydrophobicContact SD-CE2 3.59Å; M711-F716 VanDerWaalsContact SD-CE2 3.59Å; M711-F716 HydrophobicContact SD-CZ 3.45Å; M711-F716 WeakPolarHBondContact SD-CZ 3.4Å; T712-F716 WeakPolarHBondContact O-CD2 3.39Å; I713-F716 HydrophobicContact CD1-CB 4.45Å; I713-F716 PolarHBondContact O-N 2.74Å; A714-F716 PolarHBondContact O-N 3.07Å; F716-R734 CarbonylContact C-O 3.46Å; F716-R734 WeakPolarHBondContact CA-O 3.46Å; F716-Y735 AromaticContact CD1-CD2 3.98Å; F716-Y735 HydrophobicContact CD1-CD2 3.98Å; F716-Y735 HydrophobicContact CD2-CD2 4.28Å; F716-Y735 AromaticContact CE1-CD2 3.6Å; F716-Y735 HydrophobicContact CE1-CD2 3.6Å; F716-Y735 HydrophobicContact CE1-CG 4.04Å; F716-Y735 AromaticContact CE2-CD2 3.93Å; F716-Y735 HydrophobicContact CE2-CD2 3.93Å; F716-Y735 HydrophobicContact CE2-CE2 4.19Å; F716-Y735 HydrophobicContact CG-CD2 4.31Å; F716-Y735 AromaticContact CZ-CD2 3.57Å; F716-Y735 HydrophobicContact CZ-CD2 3.57Å; F716-Y735 HydrophobicContact CZ-CE2 4.09Å; F716-Y735 HydrophobicContact CZ-CG 4.32Å; F716-R736 PolarHBondContact O-NE 3.33Å; F716-Y742 HydrophobicContact CE1-CD2 4.22Å; F716-L744 HydrophobicContact CB-CD2 4.48Å; F716-L744 HydrophobicContact CD1-CD1 4.15Å; F716-L744 HydrophobicContact CD1-CD2 4.15Å; F716-L744 HydrophobicContact CD2-CD2 4.29Å; F716-L744 HydrophobicContact CE1-CD1 4.05Å; F716-L744 HydrophobicContact CE1-CD2 4.46Å; F716-L744 HydrophobicContact CG-CD2 4.05Å; F716-F786 HydrophobicContact CD2-CE1 4.37Å; F716-F786 HydrophobicContact CD2-CZ 4.45Å; F716-F786 AromaticContact CE2-CE1 3.76Å; F716-F786 HydrophobicContact CE2-CE1 3.76Å; F716-F786 HydrophobicContact CE2-CZ 4.27Å; F716-F786 HydrophobicContact CZ-CE1 4.42Å; F716-V795 HydrophobicContact CE1-CG1 4.09Å; F716-V795 HydrophobicContact CE2-CG2 4.47Å; F716-V795 HydrophobicContact CZ-CG1 3.94Å; F716-V795 HydrophobicContact CZ-CG2 3.94Å
717	K	96.4	Very high	82.4	Confident	70 Å²	70	64.9 Å²	64.9	30%	0.304	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	111.4	161.6	176.2	-163.3	171.3	-156.8	0	106.9	S733 R734 E1002	K717-S733 CarbonylContact O-C 3.51Å; K717-S733 VanDerWaalsContact O-CA 3.27Å; K717-S733 WeakPolarHBondContact O-CA 3.43Å; K717-R734 HydrophobicContact CB-CB 4.35Å; K717-R734 PolarHBondContact N-O 3.1Å; K717-R734 PolarHBondContact O-N 3.17Å; K717-E1002 IonicContact NZ-OE1 3.55Å; K717-E1002 PolarHBondContact NZ-OE1 3.28Å
718	L	96.6	Very high	84.8	Confident	46 Å²	46	57.3 Å²	57.3	24%	0.241	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	131	174.5	-52.5	-175.8	0	0	0	109.3	I713 I731 S733 L744 P1016	I713-L718 HydrophobicContact CD1-CD2 3.95Å; L718-I731 HydrophobicContact CB-CG2 4.06Å; L718-I731 HydrophobicContact CD2-CG2 4.08Å; L718-S733 WeakPolarHBondContact CD2-OG 3.5Å; L718-L744 HydrophobicContact CD2-CD2 4.38Å; L718-P1016 HydrophobicContact CB-CB 4.05Å; L718-P1016 HydrophobicContact CB-CG 4.43Å; L718-P1016 VanDerWaalsContact CD1-O 3.27Å; L718-P1016 WeakPolarHBondContact CD1-O 3.44Å
719	V	96.5	Very high	87	Confident	33 Å²	33	49 Å²	49	20%	0.2	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-56.8	-171.5	-177.9	0	0	0	0	111.6	L732 R734 Y741 E1002	V719-L732 WeakPolarHBondContact CA-O 3.48Å; V719-L732 HydrophobicContact CB-CB 4.36Å; V719-L732 HydrophobicContact CB-CD2 4.23Å; V719-L732 HydrophobicContact CB-CG 4.03Å; V719-L732 WeakPolarHBondContact CB-O 3.32Å; V719-L732 HydrophobicContact CG1-CD2 4.07Å; V719-L732 HydrophobicContact CG1-CG 4.42Å; V719-L732 HydrophobicContact CG2-CG 4.5Å; V719-L732 PolarHBondContact N-O 3.27Å; V719-R734 HydrophobicContact CG2-CB 4.43Å; V719-Y741 HydrophobicContact CG2-CE1 4.28Å; V719-E1002 HydrophobicContact CG1-CB 4.18Å; V719-E1002 HydrophobicContact CG1-CG 3.97Å
720	S	96.9	Very high	88.8	Confident	9 Å²	9	47.6 Å²	47.6	6%	0.063	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	150.8	-178.1	-174.2	0	0	0	0	111.3	I731 L732 T1012	S720-I731 CarbonylContact O-C 3.54Å; S720-I731 WeakPolarHBondContact O-CA 3.31Å; S720-I731 WeakPolarHBondContact O-CG2 3.33Å; S720-L732 PolarHBondContact N-O 3.01Å; S720-L732 PolarHBondContact O-N 2.87Å; S720-T1012 WeakPolarHBondContact OG-CA 3.29Å; S720-T1012 PolarHBondContact OG-O 3.07Å
721	V	96.5	Very high	90	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	118.3	172.7	-175.8	0	0	0	0	108.3	K729 I731 F1011 T1012 E1014 P1016	V721-K729 HydrophobicContact CG1-CD 4.43Å; V721-I731 HydrophobicContact CG2-CG1 4.32Å; V721-F1011 HydrophobicContact CG1-CB 4.37Å; V721-F1011 CarbonylContact O-C 3.55Å; V721-F1011 WeakPolarHBondContact O-CB 3.48Å; V721-T1012 VanDerWaalsContact O-CA 3.3Å; V721-T1012 WeakPolarHBondContact O-CA 3.48Å; V721-T1012 PolarHBondContact O-N 2.99Å; V721-E1014 HydrophobicContact CB-CB 4.35Å; V721-E1014 HydrophobicContact CG2-CB 4.09Å; V721-E1014 HydrophobicContact CG2-CG 4.42Å; V721-P1016 HydrophobicContact CG2-CB 4.3Å
722	L	94.7	Very high	90.5	Very high	14 Å²	14	40.2 Å²	40.2	7%	0.073	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-27.8	-178.8	-61.9	179.8	0	0	0	112.6	V730 L732 A743 Y798 V1004 F1007	L722-V730 HydrophobicContact CB-CB 4.47Å; L722-V730 HydrophobicContact CB-CG1 4.28Å; L722-V730 HydrophobicContact CD1-CG1 4.34Å; L722-V730 PolarHBondContact N-O 2.87Å; L722-L732 HydrophobicContact CD1-CB 3.94Å; L722-L732 HydrophobicContact CD2-CB 3.9Å; L722-L732 HydrophobicContact CG-CB 3.87Å; L722-A743 HydrophobicContact CD1-CB 4.23Å; L722-Y798 HydrophobicContact CD1-CD2 3.86Å; L722-Y798 HydrophobicContact CD1-CE2 3.63Å; L722-Y798 HydrophobicContact CD2-CE2 4.19Å; L722-V1004 HydrophobicContact CD2-CB 4.49Å; L722-V1004 HydrophobicContact CD2-CG1 3.77Å; L722-F1007 HydrophobicContact CB-CD1 3.94Å; L722-F1007 HydrophobicContact CB-CE1 4.08Å; L722-F1007 HydrophobicContact CD1-CE1 4.16Å; L722-F1007 HydrophobicContact CD1-CZ 4.25Å; L722-F1007 HydrophobicContact CD2-CD1 3.93Å; L722-F1007 HydrophobicContact CD2-CD2 3.87Å; L722-F1007 HydrophobicContact CD2-CE1 4.01Å; L722-F1007 HydrophobicContact CD2-CE2 3.97Å; L722-F1007 HydrophobicContact CD2-CG 3.86Å; L722-F1007 HydrophobicContact CD2-CZ 4.03Å; L722-F1007 HydrophobicContact CG-CD1 4.41Å; L722-F1007 HydrophobicContact CG-CE1 4.31Å
723	G	91.4	Very high	90.8	Very high	14 Å²	14	37.1 Å²	37.1	14%	0.144	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.8	166.5	-177.6	0	0	0	0	0	113	K729 V730	G723-K729 WeakPolarHBondContact O-CA 3.24Å; G723-V730 PolarHBondContact N-O 3.43Å; G723-V730 PolarHBondContact O-N 3.19Å
724	R	86.7	Confident	91.2	Very high	156 Å²	156	37.6 Å²	37.6	59%	0.589	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133	132.2	179.5	-173.7	177.9	177.3	176.2	-2.9	111	K729 F1011	R724-K729 HydrophobicContact CG-CG 4.39Å; R724-F1011 HydrophobicContact CB-CD1 4.14Å; R724-F1011 HydrophobicContact CB-CE1 3.89Å
725	G	74.3	Confident	91.3	Very high	44 Å²	44	34.7 Å²	34.7	45%	0.454	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	174.9	173.2	0	0	0	0	0	112	F727 G728	G725-F727 PolarHBondContact O-N 3.32Å; G725-G728 PolarHBondContact N-O 3.5Å; G725-G728 PolarHBondContact O-N 2.93Å; G725-G728 VanDerWaalsContact O-O 3.12Å
726	H	71.4	Confident	91.4	Very high	117 Å²	117	40.7 Å²	40.7	54%	0.542	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-35	176.9	178.9	-80.4	0	0	0	112.6	R755	H726-R755 PolarHBondContact CE1-NE 2.92Å; H726-R755 PolarHBondContact CE1-NH1 3.33Å; H726-R755 VanDerWaalsContact CE1-NH1 3.28Å; H726-R755 PolarHBondContact CE1-NH2 2.91Å; H726-R755 PolarHBondContact NE2-NH2 3.22Å
727	F	69.4	Low	91.2	Very high	53 Å²	53	46.8 Å²	46.8	23%	0.232	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-8.8	-175.1	-57.6	-78.4	0	0	0	115.2	G725 L747 K748 E757	G725-F727 PolarHBondContact O-N 3.32Å; F727-L747 HydrophobicContact CB-CD2 3.84Å; F727-L747 HydrophobicContact CB-CG 4.42Å; F727-K748 PolarHBondContact O-N 3.27Å; F727-E757 WeakPolarHBondContact CE1-OE2 3.26Å; F727-E757 WeakPolarHBondContact CZ-OE2 3.49Å
728	G	85.6	Confident	90.8	Very high	18 Å²	18	46.1 Å²	46.1	19%	0.186	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.8	-169.7	-159.5	0	0	0	0	0	116.2	G725 I746	G725-G728 PolarHBondContact N-O 3.5Å; G725-G728 PolarHBondContact O-N 2.93Å; G725-G728 VanDerWaalsContact O-O 3.12Å; G728-I746 CarbonylContact C-O 3.46Å; G728-I746 WeakPolarHBondContact CA-O 3.37Å
729	K	93.5	Very high	90.6	Very high	9 Å²	9	48.1 Å²	48.1	4%	0.039	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	152	178.8	-67.4	-176.8	173.3	-168.9	0	110.1	V721 G723 R724 I731 I746 E1014 S1019	V721-K729 HydrophobicContact CG1-CD 4.43Å; G723-K729 WeakPolarHBondContact O-CA 3.24Å; R724-K729 HydrophobicContact CG-CG 4.39Å; K729-I731 HydrophobicContact CB-CG1 4.3Å; K729-I746 PolarHBondContact N-O 3.27Å; K729-I746 PolarHBondContact O-N 3.01Å; K729-E1014 VanDerWaalsContact CE-OE2 3.3Å; K729-E1014 WeakPolarHBondContact CE-OE2 3.44Å; K729-E1014 IonicContact NZ-OE1 3.95Å; K729-E1014 PolarHBondContact NZ-OE1 3.26Å; K729-E1014 IonicContact NZ-OE2 3.76Å; K729-E1014 PolarHBondContact NZ-OE2 3.15Å; K729-S1019 WeakPolarHBondContact CE-OG 3.25Å; K729-S1019 PolarHBondContact NZ-OG 3.22Å
730	V	95.4	Very high	90.5	Very high	37 Å²	37	50.5 Å²	50.5	22%	0.224	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	123.9	167.3	-174.6	0	0	0	0	107.7	L722 G723 A743 L744 K745 M796	L722-V730 HydrophobicContact CB-CB 4.47Å; L722-V730 HydrophobicContact CB-CG1 4.28Å; L722-V730 HydrophobicContact CD1-CG1 4.34Å; L722-V730 PolarHBondContact N-O 2.87Å; G723-V730 PolarHBondContact N-O 3.43Å; G723-V730 PolarHBondContact O-N 3.19Å; V730-A743 HydrophobicContact CG1-CB 4Å; V730-L744 CarbonylContact C-O 3.5Å; V730-L744 VanDerWaalsContact CA-O 3.27Å; V730-L744 WeakPolarHBondContact CA-O 3.44Å; V730-K745 HydrophobicContact CG2-CB 4.29Å; V730-K745 HydrophobicContact CG2-CG 4.33Å; V730-M796 HydrophobicContact CG1-CE 4.45Å
731	I	97.1	Very high	90.5	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	123.8	-176	-58.3	-176.5	0	0	0	109.7	L718 S720 V721 K729 S733 L744 I746 P1016	L718-I731 HydrophobicContact CB-CG2 4.06Å; L718-I731 HydrophobicContact CD2-CG2 4.08Å; S720-I731 CarbonylContact O-C 3.54Å; S720-I731 WeakPolarHBondContact O-CA 3.31Å; S720-I731 WeakPolarHBondContact O-CG2 3.33Å; V721-I731 HydrophobicContact CG2-CG1 4.32Å; K729-I731 HydrophobicContact CB-CG1 4.3Å; I731-S733 PolarHBondContact O-N 3.37Å; I731-S733 PolarHBondContact O-OG 3.2Å; I731-L744 PolarHBondContact N-O 3.28Å; I731-L744 PolarHBondContact O-N 3.4Å; I731-I746 HydrophobicContact CB-CD1 3.93Å; I731-I746 HydrophobicContact CD1-CD1 3.55Å; I731-I746 HydrophobicContact CG1-CD1 3.62Å; I731-P1016 HydrophobicContact CG2-CB 3.93Å
732	L	97.6	Very high	90.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	124.1	167.2	176.9	58.9	0	0	0	108.7	V719 S720 L722 Y741 Y798 V1004	V719-L732 WeakPolarHBondContact CA-O 3.48Å; V719-L732 HydrophobicContact CB-CB 4.36Å; V719-L732 HydrophobicContact CB-CD2 4.23Å; V719-L732 HydrophobicContact CB-CG 4.03Å; V719-L732 WeakPolarHBondContact CB-O 3.32Å; V719-L732 HydrophobicContact CG1-CD2 4.07Å; V719-L732 HydrophobicContact CG1-CG 4.42Å; V719-L732 HydrophobicContact CG2-CG 4.5Å; V719-L732 PolarHBondContact N-O 3.27Å; S720-L732 PolarHBondContact N-O 3.01Å; S720-L732 PolarHBondContact O-N 2.87Å; L722-L732 HydrophobicContact CD1-CB 3.94Å; L722-L732 HydrophobicContact CD2-CB 3.9Å; L722-L732 HydrophobicContact CG-CB 3.87Å; L732-Y741 HydrophobicContact CD1-CD1 4.07Å; L732-Y741 HydrophobicContact CG-CD1 4.43Å; L732-Y798 HydrophobicContact CD1-CD1 3.53Å; L732-Y798 HydrophobicContact CD1-CD2 3.86Å; L732-Y798 HydrophobicContact CD1-CE1 3.6Å; L732-Y798 HydrophobicContact CD1-CE2 3.93Å; L732-Y798 HydrophobicContact CD1-CG 3.67Å; L732-Y798 HydrophobicContact CD2-CE1 4.11Å; L732-V1004 HydrophobicContact CD2-CG1 3.81Å
733	S	97.4	Very high	90.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	140.2	-178.5	-48.1	0	0	0	0	111.3	K717 L718 I731 Y741 Y742	K717-S733 CarbonylContact O-C 3.51Å; K717-S733 VanDerWaalsContact O-CA 3.27Å; K717-S733 WeakPolarHBondContact O-CA 3.43Å; L718-S733 WeakPolarHBondContact CD2-OG 3.5Å; I731-S733 PolarHBondContact O-N 3.37Å; I731-S733 PolarHBondContact O-OG 3.2Å; S733-Y741 WeakPolarHBondContact O-CA 3.22Å; S733-Y742 PolarHBondContact N-O 3.47Å; S733-Y742 PolarHBondContact O-N 3.36Å
734	R	97.2	Very high	90.8	Very high	63 Å²	63	52.5 Å²	52.5	24%	0.238	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	122.7	173.6	-168.7	178.3	73	152.8	-4.9	109.5	F716 K717 V719 R736 D739 N740 Y741	F716-R734 CarbonylContact C-O 3.46Å; F716-R734 WeakPolarHBondContact CA-O 3.46Å; K717-R734 HydrophobicContact CB-CB 4.35Å; K717-R734 PolarHBondContact N-O 3.1Å; K717-R734 PolarHBondContact O-N 3.17Å; V719-R734 HydrophobicContact CG2-CB 4.43Å; R734-R736 PolarHBondContact O-N 2.92Å; R734-D739 WeakPolarHBondContact CD-OD1 3.33Å; R734-D739 IonicContact CZ-OD1 3.92Å; R734-D739 IonicContact NE-OD1 3.75Å; R734-D739 PolarHBondContact NE-OD1 2.95Å; R734-D739 IonicContact NH1-OD1 3.52Å; R734-D739 PolarHBondContact NH1-OD1 3.47Å; R734-D739 IonicContact NH1-OD2 2.69Å; R734-N740 CarbonylContact C-O 3.43Å; R734-N740 WeakPolarHBondContact CA-O 3.37Å; R734-Y741 HydrophobicContact CB-CD1 4Å; R734-Y741 HydrophobicContact CB-CE1 3.73Å; R734-Y741 WeakPolarHBondContact CD-OH 3.5Å; R734-Y741 HydrophobicContact CG-CD1 4.32Å; R734-Y741 HydrophobicContact CG-CE1 3.92Å; R734-Y741 HydrophobicContact CG-CE2 4.2Å
735	Y	95.3	Very high	91.2	Very high	13 Å²	13	46.4 Å²	46.4	5%	0.051	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	122.9	175.7	-174	-130.1	0	0	0	109.3	M711 D715 F716 R737 D738 D739 N740 Y742	M711-Y735 HydrophobicContact CE-CD2 4.4Å; M711-Y735 HydrophobicContact CE-CE1 4.13Å; M711-Y735 HydrophobicContact CE-CE2 3.61Å; M711-Y735 VanDerWaalsContact CE-CZ 3.48Å; M711-Y735 WeakPolarHBondContact CE-OH 3.39Å; M711-Y735 HydrophobicContact CG-CE2 4.36Å; M711-Y735 HydrophobicContact SD-CE2 4.28Å; D715-Y735 HydrophobicContact CB-CD2 4.01Å; D715-Y735 HydrophobicContact CB-CE2 3.46Å; D715-Y735 VanDerWaalsContact CB-CE2 3.46Å; D715-Y735 WeakPolarHBondContact O-CD2 3.4Å; F716-Y735 AromaticContact CD1-CD2 3.98Å; F716-Y735 HydrophobicContact CD1-CD2 3.98Å; F716-Y735 HydrophobicContact CD2-CD2 4.28Å; F716-Y735 AromaticContact CE1-CD2 3.6Å; F716-Y735 HydrophobicContact CE1-CD2 3.6Å; F716-Y735 HydrophobicContact CE1-CG 4.04Å; F716-Y735 AromaticContact CE2-CD2 3.93Å; F716-Y735 HydrophobicContact CE2-CD2 3.93Å; F716-Y735 HydrophobicContact CE2-CE2 4.19Å; F716-Y735 HydrophobicContact CG-CD2 4.31Å; F716-Y735 AromaticContact CZ-CD2 3.57Å; F716-Y735 HydrophobicContact CZ-CD2 3.57Å; F716-Y735 HydrophobicContact CZ-CE2 4.09Å; F716-Y735 HydrophobicContact CZ-CG 4.32Å; Y735-R737 HydrophobicContact CD1-CB 4.15Å; Y735-R737 HydrophobicContact CE1-CB 3.62Å; Y735-R737 HydrophobicContact CE1-CG 3.99Å; Y735-R737 HydrophobicContact CE2-CG 4.28Å; Y735-R737 PolarHBondContact O-N 2.86Å; Y735-R737 WeakPolarHBondContact OH-CD 3.11Å; Y735-R737 PolarHBondContact OH-NE 2.86Å; Y735-R737 PolarHBondContact OH-NH1 3.1Å; Y735-D738 WeakPolarHBondContact CB-OD1 3.49Å; Y735-D738 HydrophobicContact CD1-CB 4.41Å; Y735-D738 VanDerWaalsContact CD1-OD1 3.25Å; Y735-D738 WeakPolarHBondContact CD1-OD1 3.33Å; Y735-D739 VanDerWaalsContact O-CA 3.3Å; Y735-D739 WeakPolarHBondContact O-CA 3.29Å; Y735-D739 PolarHBondContact O-N 3.3Å; Y735-N740 PolarHBondContact N-O 3.33Å; Y735-Y742 HydrophobicContact CD1-CE2 4.47Å; Y735-Y742 HydrophobicContact CG-CE2 4.35Å
736	R	93.8	Very high	92.2	Very high	151 Å²	151	44.6 Å²	44.6	57%	0.57	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-21.3	-169.4	-67.6	174.5	-177.9	-94.3	1.1	113.3	A714 D715 F716 R734	A714-R736 PolarHBondContact O-NE 3.26Å; D715-R736 VanDerWaalsContact O-CB 3.28Å; D715-R736 WeakPolarHBondContact O-CB 3.44Å; D715-R736 VanDerWaalsContact O-CG 3.28Å; D715-R736 WeakPolarHBondContact O-CG 3.22Å; D715-R736 PolarHBondContact O-N 2.98Å; F716-R736 PolarHBondContact O-NE 3.33Å; R734-R736 PolarHBondContact O-N 2.92Å
737	R	90.5	Very high	93.3	Very high	135 Å²	135	39.6 Å²	39.6	51%	0.509	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-32.8	-174.3	-54.3	-166.4	-168.1	161.1	-3.1	113.1	D715 Y735	D715-R737 VanDerWaalsContact CG-NH2 3.3Å; D715-R737 IonicContact OD1-CZ 3.34Å; D715-R737 IonicContact OD1-NE 3.11Å; D715-R737 PolarHBondContact OD1-NE 2.78Å; D715-R737 VanDerWaalsContact OD1-NE 3.11Å; D715-R737 IonicContact OD1-NH2 2.78Å; D715-R737 PolarHBondContact OD1-NH2 3.13Å; D715-R737 IonicContact OD2-NH2 3.29Å; D715-R737 PolarHBondContact OD2-NH2 3.2Å; Y735-R737 HydrophobicContact CD1-CB 4.15Å; Y735-R737 HydrophobicContact CE1-CB 3.62Å; Y735-R737 HydrophobicContact CE1-CG 3.99Å; Y735-R737 HydrophobicContact CE2-CG 4.28Å; Y735-R737 PolarHBondContact O-N 2.86Å; Y735-R737 WeakPolarHBondContact OH-CD 3.11Å; Y735-R737 PolarHBondContact OH-NE 2.86Å; Y735-R737 PolarHBondContact OH-NH1 3.1Å
738	D	89.5	Confident	94.4	Very high	57 Å²	57	38.2 Å²	38.2	31%	0.305	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	-4.2	-178.3	69.1	-3.7	0	0	0	114	Y735 N740 Y742	Y735-D738 WeakPolarHBondContact CB-OD1 3.49Å; Y735-D738 HydrophobicContact CD1-CB 4.41Å; Y735-D738 VanDerWaalsContact CD1-OD1 3.25Å; Y735-D738 WeakPolarHBondContact CD1-OD1 3.33Å; D738-N740 PolarHBondContact O-N 3.39Å; D738-N740 WeakPolarHBondContact OD1-CB 3.49Å; D738-N740 PolarHBondContact OD1-N 3.12Å; D738-N740 PolarHBondContact OD2-ND2 3.18Å; D738-Y742 PolarHBondContact OD2-OH 3.26Å
739	D	92.2	Very high	94.7	Very high	87 Å²	87	37.4 Å²	37.4	47%	0.465	17%	0.167	S	C	.	.			trans	61.2	15.6	-175.5	-147.2	40.7	0	0	0	114.8	R734 Y735	R734-D739 WeakPolarHBondContact CD-OD1 3.33Å; R734-D739 IonicContact CZ-OD1 3.92Å; R734-D739 IonicContact NE-OD1 3.75Å; R734-D739 PolarHBondContact NE-OD1 2.95Å; R734-D739 IonicContact NH1-OD1 3.52Å; R734-D739 PolarHBondContact NH1-OD1 3.47Å; R734-D739 IonicContact NH1-OD2 2.69Å; Y735-D739 VanDerWaalsContact O-CA 3.3Å; Y735-D739 WeakPolarHBondContact O-CA 3.29Å; Y735-D739 PolarHBondContact O-N 3.3Å
740	N	94.6	Very high	94.6	Very high	84 Å²	84	37.7 Å²	37.7	45%	0.449	17%	0.171	S	C	.	.			trans	-84.2	158.9	176.7	-69	-44.2	0	0	0	112.2	R734 Y735 D738 Y742	R734-N740 CarbonylContact C-O 3.43Å; R734-N740 WeakPolarHBondContact CA-O 3.37Å; Y735-N740 PolarHBondContact N-O 3.33Å; D738-N740 PolarHBondContact O-N 3.39Å; D738-N740 WeakPolarHBondContact OD1-CB 3.49Å; D738-N740 PolarHBondContact OD1-N 3.12Å; D738-N740 PolarHBondContact OD2-ND2 3.18Å; N740-Y742 HydrophobicContact CB-CE2 3.71Å
741	Y	96.5	Very high	94.3	Very high	50 Å²	50	37.3 Å²	37.3	20%	0.196	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	135.4	-177.4	-68.8	-93.2	0	0	0	111.7	V719 L732 S733 R734 P1001 E1002	V719-Y741 HydrophobicContact CG2-CE1 4.28Å; L732-Y741 HydrophobicContact CD1-CD1 4.07Å; L732-Y741 HydrophobicContact CG-CD1 4.43Å; S733-Y741 WeakPolarHBondContact O-CA 3.22Å; R734-Y741 HydrophobicContact CB-CD1 4Å; R734-Y741 HydrophobicContact CB-CE1 3.73Å; R734-Y741 WeakPolarHBondContact CD-OH 3.5Å; R734-Y741 HydrophobicContact CG-CD1 4.32Å; R734-Y741 HydrophobicContact CG-CE1 3.92Å; R734-Y741 HydrophobicContact CG-CE2 4.2Å; Y741-P1001 HydrophobicContact CD2-CB 3.57Å; Y741-P1001 HydrophobicContact CE2-CB 3.39Å; Y741-P1001 HydrophobicContact CE2-CG 4.3Å; Y741-P1001 HydrophobicContact CG-CB 4.26Å; Y741-E1002 HydrophobicContact CD1-CG 4.33Å; Y741-E1002 HydrophobicContact CE1-CG 3.33Å; Y741-E1002 VanDerWaalsContact OH-CG 3.31Å; Y741-E1002 WeakPolarHBondContact OH-CG 3.43Å; Y741-E1002 PolarHBondContact OH-OE1 3.49Å
742	Y	96.5	Very high	94	Very high	21 Å²	21	37.5 Å²	37.5	8%	0.082	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	152.9	-176.7	-61	-82.5	0	0	0	111	F716 S733 Y735 D738 N740 Y783 V795 M796	F716-Y742 HydrophobicContact CE1-CD2 4.22Å; S733-Y742 PolarHBondContact N-O 3.47Å; S733-Y742 PolarHBondContact O-N 3.36Å; Y735-Y742 HydrophobicContact CD1-CE2 4.47Å; Y735-Y742 HydrophobicContact CG-CE2 4.35Å; D738-Y742 PolarHBondContact OD2-OH 3.26Å; N740-Y742 HydrophobicContact CB-CE2 3.71Å; Y742-Y783 HydrophobicContact CD1-CD2 4.41Å; Y742-Y783 HydrophobicContact CD1-CG 4.25Å; Y742-Y783 HydrophobicContact CE1-CD1 4.43Å; Y742-Y783 AromaticContact CE1-CD2 3.41Å; Y742-Y783 HydrophobicContact CE1-CD2 3.41Å; Y742-Y783 VanDerWaalsContact CE1-CD2 3.41Å; Y742-Y783 HydrophobicContact CE1-CE2 4.11Å; Y742-Y783 AromaticContact CE1-CG 3.64Å; Y742-Y783 HydrophobicContact CE1-CG 3.64Å; Y742-Y783 AromaticContact CZ-CD2 3.69Å; Y742-Y783 AromaticContact CZ-CE2 3.9Å; Y742-Y783 WeakPolarHBondContact OH-CD2 3.33Å; Y742-Y783 WeakPolarHBondContact OH-CE2 3.32Å; Y742-V795 HydrophobicContact CD1-CG1 3.93Å; Y742-V795 HydrophobicContact CD2-CG1 4.42Å; Y742-V795 HydrophobicContact CG-CG1 3.74Å; Y742-M796 WeakPolarHBondContact CA-O 3.43Å; Y742-M796 WeakPolarHBondContact CB-O 3.36Å
743	A	96.5	Very high	93.7	Very high	7 Å²	7	39.6 Å²	39.6	6%	0.058	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	112.2	171.7	0	0	0	0	0	109.5	L722 V730 M796	L722-A743 HydrophobicContact CD1-CB 4.23Å; V730-A743 HydrophobicContact CG1-CB 4Å; A743-M796 HydrophobicContact CB-CE 4.28Å; A743-M796 PolarHBondContact N-O 3.04Å; A743-M796 WeakPolarHBondContact O-CB 3.48Å; A743-M796 PolarHBondContact O-N 3.21Å
744	L	96.3	Very high	93.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	108	-179	-81.3	60.1	0	0	0	109.6	I713 F716 L718 V730 I731 I746 F786 F794 V795	I713-L744 HydrophobicContact CD1-CD2 4.5Å; F716-L744 HydrophobicContact CB-CD2 4.48Å; F716-L744 HydrophobicContact CD1-CD1 4.15Å; F716-L744 HydrophobicContact CD1-CD2 4.15Å; F716-L744 HydrophobicContact CD2-CD2 4.29Å; F716-L744 HydrophobicContact CE1-CD1 4.05Å; F716-L744 HydrophobicContact CE1-CD2 4.46Å; F716-L744 HydrophobicContact CG-CD2 4.05Å; L718-L744 HydrophobicContact CD2-CD2 4.38Å; V730-L744 CarbonylContact C-O 3.5Å; V730-L744 VanDerWaalsContact CA-O 3.27Å; V730-L744 WeakPolarHBondContact CA-O 3.44Å; I731-L744 PolarHBondContact N-O 3.28Å; I731-L744 PolarHBondContact O-N 3.4Å; L744-I746 HydrophobicContact CB-CD1 4.02Å; L744-I746 HydrophobicContact CB-CG1 4.12Å; L744-I746 VanDerWaalsContact O-CD1 3.31Å; L744-I746 WeakPolarHBondContact O-CD1 3.45Å; L744-F786 HydrophobicContact CD2-CZ 4.37Å; L744-F794 CarbonylContact C-O 3.28Å; L744-F794 WeakPolarHBondContact CA-O 3.19Å; L744-V795 HydrophobicContact CD1-CG1 4.2Å; L744-V795 HydrophobicContact CG-CG2 4.41Å
745	K	95.2	Very high	92.7	Very high	28 Å²	28	46.6 Å²	46.6	12%	0.122	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	110.4	170.4	-178	-178.7	179	-176.8	0	108.8	V730 L747 E764 C793 F794 M796 D859	V730-K745 HydrophobicContact CG2-CB 4.29Å; V730-K745 HydrophobicContact CG2-CG 4.33Å; K745-L747 HydrophobicContact CD-CD1 4.5Å; K745-L747 HydrophobicContact CG-CD1 4.01Å; K745-E764 IonicContact NZ-OE1 2.77Å; K745-E764 PolarHBondContact NZ-OE1 3.38Å; K745-E764 IonicContact NZ-OE2 2.93Å; K745-C793 WeakPolarHBondContact O-CA 3.48Å; K745-F794 HydrophobicContact CB-CB 4.27Å; K745-F794 PolarHBondContact N-O 3.08Å; K745-F794 PolarHBondContact O-N 2.67Å; K745-M796 HydrophobicContact CB-CE 3.7Å; K745-M796 HydrophobicContact CB-SD 4.21Å; K745-D859 IonicContact NZ-OD1 3.73Å; K745-D859 PolarHBondContact NZ-OD1 2.78Å; K745-D859 IonicContact NZ-OD2 2.66Å
746	I	95.2	Very high	92.4	Very high	7 Å²	7	53.1 Å²	53.1	4%	0.036	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	115.7	-169.6	-55.2	133	0	0	0	109.2	G728 K729 I731 L744 H791 V792 F1018	G728-I746 CarbonylContact C-O 3.46Å; G728-I746 WeakPolarHBondContact CA-O 3.37Å; K729-I746 PolarHBondContact N-O 3.27Å; K729-I746 PolarHBondContact O-N 3.01Å; I731-I746 HydrophobicContact CB-CD1 3.93Å; I731-I746 HydrophobicContact CD1-CD1 3.55Å; I731-I746 HydrophobicContact CG1-CD1 3.62Å; L744-I746 HydrophobicContact CB-CD1 4.02Å; L744-I746 HydrophobicContact CB-CG1 4.12Å; L744-I746 VanDerWaalsContact O-CD1 3.31Å; L744-I746 WeakPolarHBondContact O-CD1 3.45Å; I746-H791 HydrophobicContact CG2-CB 4.01Å; I746-V792 WeakPolarHBondContact CA-O 3.37Å; I746-F1018 HydrophobicContact CB-CD2 4.25Å; I746-F1018 HydrophobicContact CB-CE2 4.08Å; I746-F1018 HydrophobicContact CD1-CD2 3.72Å; I746-F1018 HydrophobicContact CD1-CE2 3.34Å; I746-F1018 HydrophobicContact CG1-CD2 4Å; I746-F1018 HydrophobicContact CG1-CE2 3.41Å; I746-F1018 VanDerWaalsContact CG1-CE2 3.41Å; I746-F1018 HydrophobicContact CG1-CZ 4.31Å; I746-F1018 HydrophobicContact CG2-CD2 3.58Å; I746-F1018 HydrophobicContact CG2-CE2 3.62Å; I746-F1018 HydrophobicContact CG2-CG 4.37Å; I746-F1018 HydrophobicContact CG2-CZ 4.34Å
747	L	93.8	Very high	92.3	Very high	12 Å²	12	48.7 Å²	48.7	6%	0.063	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	149.4	-179.8	-51.6	90.8	0	0	0	110.9	F727 K745 I752 L761 H791 V792 F794	F727-L747 HydrophobicContact CB-CD2 3.84Å; F727-L747 HydrophobicContact CB-CG 4.42Å; K745-L747 HydrophobicContact CD-CD1 4.5Å; K745-L747 HydrophobicContact CG-CD1 4.01Å; L747-I752 HydrophobicContact CB-CD1 3.87Å; L747-I752 HydrophobicContact CD2-CD1 4.39Å; L747-L761 HydrophobicContact CD1-CD1 4.41Å; L747-L761 HydrophobicContact CD2-CD1 4.41Å; L747-H791 CarbonylContact O-C 3.59Å; L747-H791 WeakPolarHBondContact O-CA 3.39Å; L747-H791 WeakPolarHBondContact O-CB 3.45Å; L747-V792 HydrophobicContact CB-CG2 3.82Å; L747-V792 HydrophobicContact CD1-CG2 4.16Å; L747-V792 PolarHBondContact N-O 3.45Å; L747-V792 PolarHBondContact O-N 3.19Å; L747-F794 HydrophobicContact CD1-CD2 3.79Å; L747-F794 HydrophobicContact CD1-CE2 3.8Å
748	K	92.4	Very high	92.3	Very high	24 Å²	24	43.1 Å²	43.1	10%	0.104	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	124.4	-179.7	-53.5	-175.6	-161.8	172.9	0	110.7	F727 A750 D751 I752 S1019 P1020	F727-K748 PolarHBondContact O-N 3.27Å; K748-A750 VanDerWaalsContact C-N 3.29Å; K748-A750 PolarHBondContact O-N 3.27Å; K748-D751 HydrophobicContact CB-CB 4.19Å; K748-D751 WeakPolarHBondContact CD-OD2 3.45Å; K748-D751 PolarHBondContact O-N 3.08Å; K748-D751 VanDerWaalsContact O-N 3.13Å; K748-I752 WeakPolarHBondContact O-CG1 3.33Å; K748-I752 PolarHBondContact O-N 2.97Å; K748-S1019 WeakPolarHBondContact CE-O 3.45Å; K748-P1020 WeakPolarHBondContact CE-O 3.47Å; K748-P1020 PolarHBondContact NZ-O 2.87Å
749	K	93	Very high	92.4	Very high	1 Å²	1	46.1 Å²	46.1	0%	0.004	24%	0.238	C	C	.	.	H	α-helix	trans	-55.9	-42.9	179.2	-74.4	179.3	169.3	178.1	0	112.3	D751 I752 L753 T788 D790 H791 V792 V1027 F1035	K749-D751 VanDerWaalsContact C-N 3.34Å; K749-D751 PolarHBondContact O-N 3.41Å; K749-I752 PolarHBondContact O-N 2.99Å; K749-L753 WeakPolarHBondContact O-CB 3.49Å; K749-L753 WeakPolarHBondContact O-CD1 3.48Å; K749-L753 VanDerWaalsContact O-CG 3.3Å; K749-L753 WeakPolarHBondContact O-CG 3.36Å; K749-L753 PolarHBondContact O-N 2.81Å; K749-T788 WeakPolarHBondContact CE-O 3.3Å; K749-T788 PolarHBondContact NZ-O 3.03Å; K749-D790 PolarHBondContact N-O 3.29Å; K749-H791 WeakPolarHBondContact CE-O 3.21Å; K749-V792 HydrophobicContact CD-CG1 4.46Å; K749-V792 HydrophobicContact CG-CG1 3.98Å; K749-V1027 HydrophobicContact CB-CG2 3.95Å; K749-F1035 HydrophobicContact CB-CE2 4.05Å; K749-F1035 HydrophobicContact CB-CZ 3.96Å; K749-F1035 HydrophobicContact CD-CD2 4.01Å; K749-F1035 HydrophobicContact CD-CE2 4.16Å; K749-F1035 HydrophobicContact CD-CG 4.27Å; K749-F1035 HydrophobicContact CG-CD1 4.33Å; K749-F1035 HydrophobicContact CG-CD2 4.22Å; K749-F1035 HydrophobicContact CG-CE1 4.07Å; K749-F1035 HydrophobicContact CG-CE2 3.97Å; K749-F1035 HydrophobicContact CG-CG 4.39Å; K749-F1035 HydrophobicContact CG-CZ 3.88Å
750	A	90.4	Very high	92.3	Very high	15 Å²	15	45 Å²	45	12%	0.124	24%	0.238	C	C	.	.	H	α-helix	trans	-60.8	-40	179.3	0	0	0	0	0	113	K748 A754 P1021 V1027	K748-A750 VanDerWaalsContact C-N 3.29Å; K748-A750 PolarHBondContact O-N 3.27Å; A750-A754 VanDerWaalsContact O-CB 3.3Å; A750-A754 WeakPolarHBondContact O-CB 3.41Å; A750-A754 PolarHBondContact O-N 3.24Å; A750-P1021 HydrophobicContact CB-CB 4.18Å; A750-V1027 HydrophobicContact CB-CG2 4.29Å
751	D	90.1	Very high	92.2	Very high	29 Å²	29	41.4 Å²	41.4	16%	0.155	22%	0.218	C	C	.	.	H	α-helix	trans	-71.6	-35.8	-179	-67.2	-4	0	0	0	111	K748 K749	K748-D751 HydrophobicContact CB-CB 4.19Å; K748-D751 WeakPolarHBondContact CD-OD2 3.45Å; K748-D751 PolarHBondContact O-N 3.08Å; K748-D751 VanDerWaalsContact O-N 3.13Å; K749-D751 VanDerWaalsContact C-N 3.34Å; K749-D751 PolarHBondContact O-N 3.41Å
752	I	90.5	Very high	92.1	Very high	3 Å²	3	40 Å²	40	2%	0.015	21%	0.214	C	C	.	.	H	α-helix	trans	-66	-48.2	174.9	-63.1	171.4	0	0	0	110.7	L747 K748 K749 A754 R755 D756 E757 V758 L761 V792 F1035	L747-I752 HydrophobicContact CB-CD1 3.87Å; L747-I752 HydrophobicContact CD2-CD1 4.39Å; K748-I752 WeakPolarHBondContact O-CG1 3.33Å; K748-I752 PolarHBondContact O-N 2.97Å; K749-I752 PolarHBondContact O-N 2.99Å; I752-A754 PolarHBondContact O-N 3.24Å; I752-R755 PolarHBondContact O-N 3.41Å; I752-D756 PolarHBondContact O-N 3.28Å; I752-D756 VanDerWaalsContact O-N 3.16Å; I752-E757 HydrophobicContact CG2-CB 4.21Å; I752-E757 PolarHBondContact O-N 3.48Å; I752-E757 VanDerWaalsContact O-N 3.16Å; I752-V758 HydrophobicContact CG2-CG2 3.96Å; I752-L761 HydrophobicContact CD1-CD1 4.22Å; I752-L761 HydrophobicContact CD1-CD2 4.04Å; I752-V792 HydrophobicContact CD1-CG2 3.87Å; I752-F1035 HydrophobicContact CD1-CE1 4.48Å; I752-F1035 HydrophobicContact CG2-CE1 4.39Å; I752-F1035 HydrophobicContact CG2-CZ 4.44Å
753	L	91.1	Very high	91.9	Very high	44 Å²	44	39.7 Å²	39.7	23%	0.23	22%	0.216	C	C	.	.	H	α-helix	trans	-62.9	-41.4	178.6	-71.8	163.4	0	0	0	112	K749 R755 D756 V758 V1027 D1031 Y1034 F1035	K749-L753 WeakPolarHBondContact O-CB 3.49Å; K749-L753 WeakPolarHBondContact O-CD1 3.48Å; K749-L753 VanDerWaalsContact O-CG 3.3Å; K749-L753 WeakPolarHBondContact O-CG 3.36Å; K749-L753 PolarHBondContact O-N 2.81Å; L753-R755 PolarHBondContact O-N 3.37Å; L753-R755 VanDerWaalsContact O-N 3.1Å; L753-D756 PolarHBondContact O-N 3.27Å; L753-V758 HydrophobicContact CD2-CG2 3.95Å; L753-V1027 HydrophobicContact CD1-CG1 3.85Å; L753-V1027 HydrophobicContact CD1-CG2 4.25Å; L753-D1031 HydrophobicContact CD1-CB 3.72Å; L753-D1031 HydrophobicContact CD2-CB 4.39Å; L753-Y1034 HydrophobicContact CD2-CD2 4Å; L753-F1035 HydrophobicContact CD1-CE2 4.01Å; L753-F1035 HydrophobicContact CD1-CZ 4.4Å; L753-F1035 HydrophobicContact CD2-CE2 4.04Å; L753-F1035 HydrophobicContact CD2-CZ 4.24Å; L753-F1035 HydrophobicContact CG-CE2 3.99Å; L753-F1035 HydrophobicContact CG-CZ 4Å
754	A	88.1	Confident	91.8	Very high	82 Å²	82	39.8 Å²	39.8	68%	0.678	22%	0.215	S	C	*	.	H	α-helix	trans	-61.6	-19.7	179	0	0	0	0	0	113.3	A750 I752	A750-A754 VanDerWaalsContact O-CB 3.3Å; A750-A754 WeakPolarHBondContact O-CB 3.41Å; A750-A754 PolarHBondContact O-N 3.24Å; I752-A754 PolarHBondContact O-N 3.24Å
755	R	86.2	Confident	91.7	Very high	129 Å²	129	40.8 Å²	40.8	49%	0.487	22%	0.219	S	C	.	.	H	α-helix	trans	-110.3	-1.4	-177.5	-70.4	172	174.2	-109.3	-4.4	114.4	H726 I752 L753 E757	H726-R755 PolarHBondContact CE1-NE 2.92Å; H726-R755 PolarHBondContact CE1-NH1 3.33Å; H726-R755 VanDerWaalsContact CE1-NH1 3.28Å; H726-R755 PolarHBondContact CE1-NH2 2.91Å; H726-R755 PolarHBondContact NE2-NH2 3.22Å; I752-R755 PolarHBondContact O-N 3.41Å; L753-R755 PolarHBondContact O-N 3.37Å; L753-R755 VanDerWaalsContact O-N 3.1Å; R755-E757 VanDerWaalsContact C-N 3.32Å; R755-E757 HydrophobicContact CB-CG 3.88Å
756	D	88.7	Confident	91.7	Very high	149 Å²	149	43.1 Å²	43.1	80%	0.797	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	40	-177.1	-160.8	30	0	0	0	112.7	I752 L753	I752-D756 PolarHBondContact O-N 3.28Å; I752-D756 VanDerWaalsContact O-N 3.16Å; L753-D756 PolarHBondContact O-N 3.27Å
757	E	90.3	Very high	91.7	Very high	58 Å²	58	42.8 Å²	42.8	27%	0.271	23%	0.226	S	C	.	.			trans	-106.2	15.2	-173.7	-71.3	-179.9	-167.9	0	0	113.9	F727 I752 R755 E759 S760 L761	F727-E757 WeakPolarHBondContact CE1-OE2 3.26Å; F727-E757 WeakPolarHBondContact CZ-OE2 3.49Å; I752-E757 HydrophobicContact CG2-CB 4.21Å; I752-E757 PolarHBondContact O-N 3.48Å; I752-E757 VanDerWaalsContact O-N 3.16Å; R755-E757 VanDerWaalsContact C-N 3.32Å; R755-E757 HydrophobicContact CB-CG 3.88Å; E757-E759 VanDerWaalsContact C-N 3.33Å; E757-E759 PolarHBondContact O-N 3.16Å; E757-S760 WeakPolarHBondContact O-CB 3.48Å; E757-S760 PolarHBondContact O-N 3.49Å; E757-L761 PolarHBondContact O-N 3.21Å
758	V	92.3	Very high	91.6	Very high	19 Å²	19	42.2 Å²	42.2	12%	0.115	22%	0.223	C	C	.	.	H	α-helix	trans	-59.6	-43.2	179.2	176.9	0	0	0	0	111.4	I752 L753 S760 L761 M762 F1035	I752-V758 HydrophobicContact CG2-CG2 3.96Å; L753-V758 HydrophobicContact CD2-CG2 3.95Å; V758-S760 VanDerWaalsContact C-N 3.31Å; V758-S760 PolarHBondContact O-N 3.31Å; V758-L761 WeakPolarHBondContact O-CB 3.37Å; V758-L761 PolarHBondContact O-N 3.09Å; V758-M762 HydrophobicContact CG1-CG 4.47Å; V758-M762 WeakPolarHBondContact O-CG 3.32Å; V758-M762 PolarHBondContact O-N 3.44Å; V758-F1035 HydrophobicContact CG2-CE1 4.43Å; V758-F1035 HydrophobicContact CG2-CZ 4.13Å
759	E	91.3	Very high	91.6	Very high	119 Å²	119	43.2 Å²	43.2	56%	0.556	23%	0.228	S	C	*	.	H	α-helix	trans	-65.8	-35.8	179.7	-173.8	55.2	-140.5	0	0	111.8	E757 M762 A763 R766	E757-E759 VanDerWaalsContact C-N 3.33Å; E757-E759 PolarHBondContact O-N 3.16Å; E759-M762 PolarHBondContact O-N 3.34Å; E759-A763 WeakPolarHBondContact O-CB 3.48Å; E759-A763 PolarHBondContact O-N 3.26Å; E759-R766 IonicContact OE1-CZ 3.34Å; E759-R766 IonicContact OE1-NH1 3.47Å; E759-R766 PolarHBondContact OE1-NH1 3.42Å; E759-R766 IonicContact OE1-NH2 3.18Å; E759-R766 PolarHBondContact OE1-NH2 2.47Å
760	S	90.3	Very high	91.6	Very high	64 Å²	64	44.6 Å²	44.6	45%	0.448	24%	0.235	S	C	.	.	H	α-helix	trans	-63.8	-42.5	174.5	-57.6	0	0	0	0	111.5	E757 V758 A763 E764	E757-S760 WeakPolarHBondContact O-CB 3.48Å; E757-S760 PolarHBondContact O-N 3.49Å; V758-S760 VanDerWaalsContact C-N 3.31Å; V758-S760 PolarHBondContact O-N 3.31Å; S760-A763 PolarHBondContact O-N 3.05Å; S760-E764 PolarHBondContact O-N 3.14Å
761	L	92.9	Very high	91.6	Very high	8 Å²	8	43.9 Å²	43.9	4%	0.042	23%	0.229	C	C	.	.	H	α-helix	trans	-60.2	-46	173.9	177.9	79.8	0	0	0	111.6	L747 I752 E757 V758 E764 K765 V792 F794 F1035 F1038	L747-L761 HydrophobicContact CD1-CD1 4.41Å; L747-L761 HydrophobicContact CD2-CD1 4.41Å; I752-L761 HydrophobicContact CD1-CD1 4.22Å; I752-L761 HydrophobicContact CD1-CD2 4.04Å; E757-L761 PolarHBondContact O-N 3.21Å; V758-L761 WeakPolarHBondContact O-CB 3.37Å; V758-L761 PolarHBondContact O-N 3.09Å; L761-E764 PolarHBondContact O-N 2.89Å; L761-K765 PolarHBondContact O-N 3.09Å; L761-V792 HydrophobicContact CD1-CG2 4Å; L761-V792 HydrophobicContact CD2-CB 4.5Å; L761-V792 HydrophobicContact CD2-CG1 4.3Å; L761-V792 HydrophobicContact CD2-CG2 3.94Å; L761-F794 HydrophobicContact CD1-CE2 3.5Å; L761-F794 HydrophobicContact CD1-CZ 3.69Å; L761-F794 HydrophobicContact CG-CZ 4.41Å; L761-F1035 HydrophobicContact CD2-CD1 3.92Å; L761-F1035 HydrophobicContact CD2-CE1 3.8Å; L761-F1038 HydrophobicContact CD1-CE2 4.02Å; L761-F1038 HydrophobicContact CD2-CD2 3.94Å; L761-F1038 HydrophobicContact CD2-CE2 3.94Å; L761-F1038 HydrophobicContact CG-CD2 4.28Å; L761-F1038 HydrophobicContact CG-CE2 3.94Å
762	M	93.8	Very high	91.6	Very high	20 Å²	20	43.4 Å²	43.4	10%	0.099	23%	0.226	C	C	.	.	H	α-helix	trans	-68.3	-35.1	179.5	-68.1	-59.9	-172.3	0	0	112	V758 E759 K765 R766 Y1034 F1038	V758-M762 HydrophobicContact CG1-CG 4.47Å; V758-M762 WeakPolarHBondContact O-CG 3.32Å; V758-M762 PolarHBondContact O-N 3.44Å; E759-M762 PolarHBondContact O-N 3.34Å; M762-K765 WeakPolarHBondContact O-CB 3.3Å; M762-K765 PolarHBondContact O-N 3.42Å; M762-R766 WeakPolarHBondContact O-CG 3.49Å; M762-R766 PolarHBondContact O-N 3.42Å; M762-Y1034 WeakPolarHBondContact CE-O 3.43Å; M762-F1038 HydrophobicContact CE-CB 4.12Å; M762-F1038 HydrophobicContact SD-CD2 4.35Å
763	A	92.8	Very high	91.5	Very high	16 Å²	16	52.6 Å²	52.6	13%	0.132	26%	0.261	C	S	.	.	H	α-helix	trans	-64	-43.7	171.9	0	0	0	0	0	111.6	E759 S760 K765 R766 I767	E759-A763 WeakPolarHBondContact O-CB 3.48Å; E759-A763 PolarHBondContact O-N 3.26Å; S760-A763 PolarHBondContact O-N 3.05Å; A763-K765 VanDerWaalsContact C-N 3.32Å; A763-K765 PolarHBondContact O-N 3.41Å; A763-R766 PolarHBondContact O-N 3.19Å; A763-I767 VanDerWaalsContact O-CG1 3.29Å; A763-I767 WeakPolarHBondContact O-CG1 3.43Å; A763-I767 PolarHBondContact O-N 3.13Å
764	E	94.2	Very high	91.2	Very high	9 Å²	9	53.1 Å²	53.1	4%	0.042	27%	0.268	C	S	.	.	H	α-helix	trans	-56.9	-45.5	174.1	-176	177	-174.1	0	0	111.1	K745 S760 L761 I767 F768 F794 F860	K745-E764 IonicContact NZ-OE1 2.77Å; K745-E764 PolarHBondContact NZ-OE1 3.38Å; K745-E764 IonicContact NZ-OE2 2.93Å; S760-E764 PolarHBondContact O-N 3.14Å; L761-E764 PolarHBondContact O-N 2.89Å; E764-I767 PolarHBondContact O-N 3.2Å; E764-F768 HydrophobicContact CG-CD2 4.08Å; E764-F768 HydrophobicContact CG-CE2 3.9Å; E764-F768 WeakPolarHBondContact O-CD2 3.23Å; E764-F768 PolarHBondContact O-N 3.29Å; E764-F794 HydrophobicContact CG-CZ 4.33Å; E764-F860 HydrophobicContact CG-CB 4.2Å
765	K	94.2	Very high	91.2	Very high	20 Å²	20	54.7 Å²	54.7	9%	0.087	26%	0.26	C	S	.	.	H	α-helix	trans	-57.3	-50.9	174.2	-172.3	-154.3	176.6	-156.7	0	112.2	L761 M762 A763 I767 F768 E769 F794 D1037 F1038 D1039 Y1040	L761-K765 PolarHBondContact O-N 3.09Å; M762-K765 WeakPolarHBondContact O-CB 3.3Å; M762-K765 PolarHBondContact O-N 3.42Å; A763-K765 VanDerWaalsContact C-N 3.32Å; A763-K765 PolarHBondContact O-N 3.41Å; K765-I767 VanDerWaalsContact C-N 3.27Å; K765-I767 PolarHBondContact O-N 2.92Å; K765-F768 WeakPolarHBondContact O-CB 3.46Å; K765-F768 PolarHBondContact O-N 3.33Å; K765-E769 WeakPolarHBondContact CE-OE1 3.4Å; K765-E769 IonicContact NZ-OE1 3.19Å; K765-E769 PolarHBondContact NZ-OE1 3.15Å; K765-E769 PolarHBondContact O-N 3.47Å; K765-F794 HydrophobicContact CB-CE1 4.03Å; K765-F794 HydrophobicContact CG-CE1 4.46Å; K765-D1037 PolarHBondContact NZ-O 2.96Å; K765-F1038 WeakPolarHBondContact CE-O 3.46Å; K765-D1039 PolarHBondContact NZ-O 2.95Å; K765-Y1040 VanDerWaalsContact CE-CB 3.49Å
766	R	94.5	Very high	91.6	Very high	77 Å²	77	49.2 Å²	49.2	29%	0.291	24%	0.24	S	C	.	.	H	α-helix	trans	-60.7	-36.9	179.4	-71.4	-171.6	-59.4	-94	8.6	112.3	E759 M762 A763 E769 I770 E865	E759-R766 IonicContact OE1-CZ 3.34Å; E759-R766 IonicContact OE1-NH1 3.47Å; E759-R766 PolarHBondContact OE1-NH1 3.42Å; E759-R766 IonicContact OE1-NH2 3.18Å; E759-R766 PolarHBondContact OE1-NH2 2.47Å; M762-R766 WeakPolarHBondContact O-CG 3.49Å; M762-R766 PolarHBondContact O-N 3.42Å; A763-R766 PolarHBondContact O-N 3.19Å; R766-E769 WeakPolarHBondContact O-CB 3.47Å; R766-E769 PolarHBondContact O-N 2.95Å; R766-I770 WeakPolarHBondContact O-CG1 3.41Å; R766-I770 PolarHBondContact O-N 3.02Å; R766-E865 IonicContact CZ-OE1 3.76Å; R766-E865 IonicContact NE-OE1 2.81Å; R766-E865 PolarHBondContact NE-OE1 3.17Å; R766-E865 IonicContact NE-OE2 2.81Å; R766-E865 PolarHBondContact NE-OE2 2.8Å; R766-E865 IonicContact NH2-OE1 2.8Å; R766-E865 PolarHBondContact NH2-OE1 2.9Å
767	I	94.1	Very high	91.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.3	-44.2	177.2	-71.2	169.8	0	0	0	110.7	A763 E764 K765 E769 I770 V771 I837 F860 C863	A763-I767 VanDerWaalsContact O-CG1 3.29Å; A763-I767 WeakPolarHBondContact O-CG1 3.43Å; A763-I767 PolarHBondContact O-N 3.13Å; E764-I767 PolarHBondContact O-N 3.2Å; K765-I767 VanDerWaalsContact C-N 3.27Å; K765-I767 PolarHBondContact O-N 2.92Å; I767-E769 VanDerWaalsContact C-N 3.3Å; I767-E769 PolarHBondContact O-N 3.5Å; I767-I770 PolarHBondContact O-N 3.39Å; I767-I770 VanDerWaalsContact O-N 3.12Å; I767-V771 HydrophobicContact CG2-CG2 4.41Å; I767-V771 WeakPolarHBondContact O-CG2 3.31Å; I767-V771 PolarHBondContact O-N 3.05Å; I767-I837 HydrophobicContact CD1-CG2 4.02Å; I767-I837 HydrophobicContact CG1-CD1 4.17Å; I767-I837 HydrophobicContact CG1-CG1 4.46Å; I767-I837 HydrophobicContact CG1-CG2 4.39Å; I767-I837 HydrophobicContact CG2-CD1 4.26Å; I767-I837 HydrophobicContact CG2-CG2 4.39Å; I767-F860 HydrophobicContact CG2-CB 4.02Å; I767-F860 HydrophobicContact CG2-CD1 4.06Å; I767-F860 HydrophobicContact CG2-CG 4.05Å; I767-C863 HydrophobicContact CD1-CB 3.37Å
768	F	93.3	Very high	92.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57.6	-42.6	171.6	-86.2	-64	0	0	0	112.4	E764 K765 I770 V771 N772 L782 F794 M796 F860	E764-F768 HydrophobicContact CG-CD2 4.08Å; E764-F768 HydrophobicContact CG-CE2 3.9Å; E764-F768 WeakPolarHBondContact O-CD2 3.23Å; E764-F768 PolarHBondContact O-N 3.29Å; K765-F768 WeakPolarHBondContact O-CB 3.46Å; K765-F768 PolarHBondContact O-N 3.33Å; F768-I770 VanDerWaalsContact C-N 3.29Å; F768-I770 PolarHBondContact O-N 2.8Å; F768-V771 PolarHBondContact O-N 2.92Å; F768-N772 VanDerWaalsContact O-CB 3.32Å; F768-N772 WeakPolarHBondContact O-CB 3.37Å; F768-N772 PolarHBondContact O-N 3.42Å; F768-L782 HydrophobicContact CB-CB 3.78Å; F768-L782 HydrophobicContact CB-CD2 3.55Å; F768-L782 HydrophobicContact CB-CG 4.24Å; F768-L782 HydrophobicContact CD1-CB 3.61Å; F768-L782 HydrophobicContact CD2-CD2 4.41Å; F768-L782 HydrophobicContact CE1-CB 4.27Å; F768-L782 HydrophobicContact CG-CB 3.79Å; F768-L782 HydrophobicContact CG-CD2 4.04Å; F768-L782 HydrophobicContact CG-CG 4.34Å; F768-F794 HydrophobicContact CD2-CD1 4.1Å; F768-F794 HydrophobicContact CD2-CE1 4.17Å; F768-F794 HydrophobicContact CE2-CD1 4.16Å; F768-F794 HydrophobicContact CE2-CE1 4.43Å; F768-M796 HydrophobicContact CE1-SD 4.48Å; F768-M796 HydrophobicContact CZ-CG 4.3Å; F768-M796 HydrophobicContact CZ-SD 3.78Å; F768-F860 AromaticContact CD1-CD2 3.9Å; F768-F860 HydrophobicContact CD1-CD2 3.9Å; F768-F860 AromaticContact CD1-CE2 3.98Å; F768-F860 HydrophobicContact CD1-CE2 3.98Å; F768-F860 HydrophobicContact CD2-CD2 4.45Å; F768-F860 AromaticContact CE1-CD2 3.48Å; F768-F860 HydrophobicContact CE1-CD2 3.48Å; F768-F860 VanDerWaalsContact CE1-CD2 3.48Å; F768-F860 AromaticContact CE1-CE2 3.53Å; F768-F860 HydrophobicContact CE1-CE2 3.53Å; F768-F860 HydrophobicContact CE2-CD2 4.05Å; F768-F860 HydrophobicContact CG-CD2 4.39Å; F768-F860 AromaticContact CZ-CD2 3.56Å; F768-F860 HydrophobicContact CZ-CD2 3.56Å; F768-F860 HydrophobicContact CZ-CE2 4.05Å
769	E	92.2	Very high	92.5	Very high	46 Å²	46	39.9 Å²	39.9	22%	0.215	19%	0.193	C	C	.	.	H	α-helix	trans	-60.2	-37.6	175.7	-68.9	175.9	-170.4	0	0	112.1	K765 R766 I767 R773 Y1040	K765-E769 WeakPolarHBondContact CE-OE1 3.4Å; K765-E769 IonicContact NZ-OE1 3.19Å; K765-E769 PolarHBondContact NZ-OE1 3.15Å; K765-E769 PolarHBondContact O-N 3.47Å; R766-E769 WeakPolarHBondContact O-CB 3.47Å; R766-E769 PolarHBondContact O-N 2.95Å; I767-E769 VanDerWaalsContact C-N 3.3Å; I767-E769 PolarHBondContact O-N 3.5Å; E769-R773 WeakPolarHBondContact O-CG 3.44Å; E769-Y1040 HydrophobicContact CG-CD2 4.21Å; E769-Y1040 HydrophobicContact CG-CE1 4.31Å; E769-Y1040 HydrophobicContact CG-CE2 3.94Å
770	I	92.5	Very high	92.7	Very high	30 Å²	30	34.3 Å²	34.3	15%	0.154	17%	0.167	C	C	.	.	H	α-helix	trans	-68.9	-45.1	174.6	-66.4	164.6	0	0	0	111.3	R766 I767 F768 N772 R773 Y831 N835 I837	R766-I770 WeakPolarHBondContact O-CG1 3.41Å; R766-I770 PolarHBondContact O-N 3.02Å; I767-I770 PolarHBondContact O-N 3.39Å; I767-I770 VanDerWaalsContact O-N 3.12Å; F768-I770 VanDerWaalsContact C-N 3.29Å; F768-I770 PolarHBondContact O-N 2.8Å; I770-N772 VanDerWaalsContact C-N 3.33Å; I770-N772 PolarHBondContact O-N 3.18Å; I770-R773 WeakPolarHBondContact O-CB 3.4Å; I770-R773 PolarHBondContact O-N 3.16Å; I770-Y831 PolarHBondContact O-OH 2.86Å; I770-N835 HydrophobicContact CG2-CB 4Å; I770-I837 HydrophobicContact CB-CD1 4.5Å; I770-I837 HydrophobicContact CD1-CD1 4.1Å; I770-I837 HydrophobicContact CG2-CD1 4.16Å
771	V	91.4	Very high	92.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.8	-43.7	178.7	170.7	0	0	0	0	111.1	I767 F768 R773 S774 K775 L779 Y831 L832 F860	I767-V771 HydrophobicContact CG2-CG2 4.41Å; I767-V771 WeakPolarHBondContact O-CG2 3.31Å; I767-V771 PolarHBondContact O-N 3.05Å; F768-V771 PolarHBondContact O-N 2.92Å; V771-R773 PolarHBondContact O-N 3.32Å; V771-S774 PolarHBondContact O-N 2.77Å; V771-S774 PolarHBondContact O-OG 2.81Å; V771-K775 PolarHBondContact O-N 2.94Å; V771-L779 HydrophobicContact CG1-CB 3.62Å; V771-L779 HydrophobicContact CG1-CD1 3.89Å; V771-L779 HydrophobicContact CG1-CG 4.41Å; V771-L779 HydrophobicContact CG2-CD1 3.89Å; V771-Y831 HydrophobicContact CG2-CE1 4.23Å; V771-L832 HydrophobicContact CG2-CD2 4.13Å; V771-F860 HydrophobicContact CG2-CZ 4.42Å
772	N	89.6	Confident	92.8	Very high	18 Å²	18	32.4 Å²	32.4	10%	0.096	15%	0.151	C	C	.	.	H	α-helix	trans	-61.1	-25.1	179.3	-78.6	-5.9	0	0	0	114.1	F768 I770 S774 K775 L782	F768-N772 VanDerWaalsContact O-CB 3.32Å; F768-N772 WeakPolarHBondContact O-CB 3.37Å; F768-N772 PolarHBondContact O-N 3.42Å; I770-N772 VanDerWaalsContact C-N 3.33Å; I770-N772 PolarHBondContact O-N 3.18Å; N772-S774 VanDerWaalsContact C-N 3.3Å; N772-S774 PolarHBondContact O-N 3.47Å; N772-K775 WeakPolarHBondContact O-CG 3.45Å; N772-K775 PolarHBondContact O-N 3.48Å; N772-L782 PolarHBondContact ND2-O 3.02Å; N772-L782 PolarHBondContact OD1-N 2.91Å
773	R	88.7	Confident	92.7	Very high	196 Å²	196	33.7 Å²	33.7	74%	0.74	16%	0.156	S	C	*	.	H	α-helix	trans	-63.7	-34.8	179.8	-71.4	171.3	-171.2	177.2	2.7	112.9	E769 I770 V771	E769-R773 WeakPolarHBondContact O-CG 3.44Å; I770-R773 WeakPolarHBondContact O-CB 3.4Å; I770-R773 PolarHBondContact O-N 3.16Å; V771-R773 PolarHBondContact O-N 3.32Å
774	S	84.9	Confident	92.8	Very high	55 Å²	55	33 Å²	33	39%	0.385	15%	0.149	S	C	.	.	H	α-helix	trans	-98.5	-14.4	178.3	65.7	0	0	0	0	113.4	V771 N772 H776 Y831	V771-S774 PolarHBondContact O-N 2.77Å; V771-S774 PolarHBondContact O-OG 2.81Å; N772-S774 VanDerWaalsContact C-N 3.3Å; N772-S774 PolarHBondContact O-N 3.47Å; S774-H776 PolarHBondContact O-N 3.43Å; S774-H776 PolarHBondContact OG-N 2.86Å; S774-Y831 VanDerWaalsContact CB-CE2 3.41Å; S774-Y831 WeakPolarHBondContact CB-OH 3.38Å; S774-Y831 WeakPolarHBondContact OG-CE2 3.32Å; S774-Y831 PolarHBondContact OG-OH 3.34Å
775	K	88.2	Confident	92.8	Very high	115 Å²	115	32.7 Å²	32.7	50%	0.5	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	46	-170.4	-61	-176	179.9	177.4	0	111.5	V771 N772	V771-K775 PolarHBondContact O-N 2.94Å; N772-K775 WeakPolarHBondContact O-CG 3.45Å; N772-K775 PolarHBondContact O-N 3.48Å
776	H	94	Very high	92.9	Very high	15 Å²	15	32 Å²	32	7%	0.069	15%	0.145	C	C	.	.			trans	-54.7	127.2	-174.7	-171	-84.4	0	0	0	111	S774 F778 L779 L827 Y831	S774-H776 PolarHBondContact O-N 3.43Å; S774-H776 PolarHBondContact OG-N 2.86Å; H776-F778 VanDerWaalsContact C-N 3.25Å; H776-F778 AromaticContact CE1-CD2 3.88Å; H776-F778 PolarHBondContact ND1-N 3.32Å; H776-F778 PolarHBondContact O-N 2.92Å; H776-F778 VanDerWaalsContact O-N 3.16Å; H776-L779 HydrophobicContact CB-CB 4.31Å; H776-L779 HydrophobicContact CB-CD1 4.05Å; H776-L779 HydrophobicContact CB-CG 4.17Å; H776-L779 PolarHBondContact O-N 3.44Å; H776-L827 PolarHBondContact NE2-O 3.23Å; H776-Y831 HydrophobicContact CB-CD1 4.45Å; H776-Y831 HydrophobicContact CB-CG 4.33Å; H776-Y831 AromaticContact CD2-CD2 3.92Å; H776-Y831 AromaticContact CD2-CG 3.83Å
777	P	95.3	Very high	92.8	Very high	29 Å²	29	30.5 Å²	30.5	19%	0.188	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-28.4	-166.5	22.1	-33.1	0	0	0	113.8	K856 L986 K988	P777-K856 PolarHBondContact O-NZ 3.41Å; P777-K856 VanDerWaalsContact O-NZ 3.1Å; P777-L986 HydrophobicContact CG-CD1 3.73Å; P777-L986 VanDerWaalsContact CG-O 3.29Å; P777-L986 WeakPolarHBondContact CG-O 3.37Å; P777-K988 HydrophobicContact CB-CD 4.5Å; P777-K988 HydrophobicContact CB-CG 4.42Å
778	F	97.2	Very high	92.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	13.4	-177.3	-49.5	-45	0	0	0	114.3	H776 C824 L827 Y854 L855 K856 I857 L985 K988	H776-F778 VanDerWaalsContact C-N 3.25Å; H776-F778 AromaticContact CE1-CD2 3.88Å; H776-F778 PolarHBondContact ND1-N 3.32Å; H776-F778 PolarHBondContact O-N 2.92Å; H776-F778 VanDerWaalsContact O-N 3.16Å; F778-C824 HydrophobicContact CB-CB 4.38Å; F778-C824 HydrophobicContact CD1-CB 4.04Å; F778-C824 HydrophobicContact CD2-CB 4.05Å; F778-C824 HydrophobicContact CE1-CB 4.3Å; F778-C824 HydrophobicContact CE2-CB 4.3Å; F778-C824 HydrophobicContact CG-CB 3.89Å; F778-C824 HydrophobicContact CZ-CB 4.4Å; F778-L827 HydrophobicContact CD2-CB 3.94Å; F778-L827 HydrophobicContact CD2-CD1 4.21Å; F778-L827 HydrophobicContact CE2-CB 4.26Å; F778-L827 HydrophobicContact CE2-CD1 3.65Å; F778-Y854 AromaticContact CE1-CD1 3.83Å; F778-Y854 HydrophobicContact CE1-CD1 3.83Å; F778-Y854 HydrophobicContact CE1-CG 4.33Å; F778-Y854 HydrophobicContact CZ-CD1 4.43Å; F778-L855 VanDerWaalsContact CA-O 3.32Å; F778-L855 WeakPolarHBondContact CA-O 3.19Å; F778-L855 WeakPolarHBondContact CB-O 3.48Å; F778-L855 WeakPolarHBondContact CD1-O 3.43Å; F778-K856 CarbonylContact O-C 3.31Å; F778-K856 WeakPolarHBondContact O-CA 3.42Å; F778-I857 PolarHBondContact O-N 3.14Å; F778-L985 HydrophobicContact CE2-CG 4.14Å; F778-L985 HydrophobicContact CZ-CD1 4.19Å; F778-L985 HydrophobicContact CZ-CG 4.01Å; F778-L985 VanDerWaalsContact CZ-O 3.24Å; F778-L985 WeakPolarHBondContact CZ-O 3.35Å; F778-K988 HydrophobicContact CE1-CG 4.45Å
779	L	96.9	Very high	92.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-116.9	144.6	169.7	-61.7	-179	0	0	0	108.6	V771 H776 N781 Y831 L832 I857 F860	V771-L779 HydrophobicContact CG1-CB 3.62Å; V771-L779 HydrophobicContact CG1-CD1 3.89Å; V771-L779 HydrophobicContact CG1-CG 4.41Å; V771-L779 HydrophobicContact CG2-CD1 3.89Å; H776-L779 HydrophobicContact CB-CB 4.31Å; H776-L779 HydrophobicContact CB-CD1 4.05Å; H776-L779 HydrophobicContact CB-CG 4.17Å; H776-L779 PolarHBondContact O-N 3.44Å; L779-N781 PolarHBondContact O-N 3.08Å; L779-N781 PolarHBondContact O-ND2 3.32Å; L779-Y831 HydrophobicContact CD1-CD1 3.44Å; L779-Y831 VanDerWaalsContact CD1-CD1 3.44Å; L779-Y831 HydrophobicContact CD1-CE1 4.05Å; L779-Y831 HydrophobicContact CD1-CG 4.25Å; L779-L832 HydrophobicContact CD1-CD2 4Å; L779-L832 HydrophobicContact CD1-CG 4.16Å; L779-L832 HydrophobicContact CD2-CD1 4.35Å; L779-L832 HydrophobicContact CD2-CG 4.49Å; L779-I857 HydrophobicContact CD2-CB 3.76Å; L779-I857 HydrophobicContact CD2-CD1 3.86Å; L779-I857 HydrophobicContact CD2-CG1 4.08Å; L779-F860 HydrophobicContact CB-CZ 4.22Å; L779-F860 HydrophobicContact CD2-CE1 4.28Å; L779-F860 HydrophobicContact CD2-CZ 4.24Å
780	T	95	Very high	92.5	Very high	3 Å²	3	41 Å²	41	2%	0.018	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-71.9	126.2	176.4	-54.6	0	0	0	0	110.1	M796 E797 I857	T780-M796 HydrophobicContact CG2-CB 4.21Å; T780-E797 VanDerWaalsContact CA-OE1 3.3Å; T780-E797 WeakPolarHBondContact CA-OE1 3.46Å; T780-E797 HydrophobicContact CG2-CG 3.71Å; T780-I857 WeakPolarHBondContact CB-O 3.39Å; T780-I857 PolarHBondContact N-O 3.2Å; T780-I857 PolarHBondContact OG1-O 3.37Å
781	N	92.6	Very high	92.5	Very high	28 Å²	28	40.2 Å²	40.2	15%	0.15	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-88.3	150.5	179.7	-63.4	-80.8	0	0	0	112.1	L779 M796 E797	L779-N781 PolarHBondContact O-N 3.08Å; L779-N781 PolarHBondContact O-ND2 3.32Å; N781-M796 WeakPolarHBondContact O-CA 3.33Å; N781-E797 HydrophobicContact CB-CG 4.49Å; N781-E797 PolarHBondContact N-OE1 3.46Å; N781-E797 PolarHBondContact ND2-OE1 3.22Å; N781-E797 PolarHBondContact O-N 2.98Å
782	L	93.3	Very high	92.7	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.016	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	124.6	176.7	178.6	76.7	0	0	0	110.2	F768 N772 A784 C785 F794 V795 M796 Y1040	F768-L782 HydrophobicContact CB-CB 3.78Å; F768-L782 HydrophobicContact CB-CD2 3.55Å; F768-L782 HydrophobicContact CB-CG 4.24Å; F768-L782 HydrophobicContact CD1-CB 3.61Å; F768-L782 HydrophobicContact CD2-CD2 4.41Å; F768-L782 HydrophobicContact CE1-CB 4.27Å; F768-L782 HydrophobicContact CG-CB 3.79Å; F768-L782 HydrophobicContact CG-CD2 4.04Å; F768-L782 HydrophobicContact CG-CG 4.34Å; N772-L782 PolarHBondContact ND2-O 3.02Å; N772-L782 PolarHBondContact OD1-N 2.91Å; L782-A784 WeakPolarHBondContact CD1-O 3.29Å; L782-C785 VanDerWaalsContact CD2-SG 3.58Å; L782-F794 HydrophobicContact CD1-CB 3.8Å; L782-F794 HydrophobicContact CD1-CD1 3.83Å; L782-F794 HydrophobicContact CD1-CG 4.33Å; L782-F794 HydrophobicContact CD2-CD1 4.45Å; L782-V795 WeakPolarHBondContact CD1-O 3.38Å; L782-M796 HydrophobicContact CD1-CG 4.24Å; L782-Y1040 HydrophobicContact CD2-CD1 3.93Å; L782-Y1040 HydrophobicContact CD2-CE1 4.13Å
783	Y	92.4	Very high	93	Very high	48 Å²	48	39.4 Å²	39.4	19%	0.188	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-50.2	173.9	-174.9	-85.6	0	0	0	111.8	M711 Y742 V795 A1042 I1044	M711-Y783 HydrophobicContact CE-CD1 4.11Å; M711-Y783 HydrophobicContact CE-CE1 3.55Å; Y742-Y783 HydrophobicContact CD1-CD2 4.41Å; Y742-Y783 HydrophobicContact CD1-CG 4.25Å; Y742-Y783 HydrophobicContact CE1-CD1 4.43Å; Y742-Y783 AromaticContact CE1-CD2 3.41Å; Y742-Y783 HydrophobicContact CE1-CD2 3.41Å; Y742-Y783 VanDerWaalsContact CE1-CD2 3.41Å; Y742-Y783 HydrophobicContact CE1-CE2 4.11Å; Y742-Y783 AromaticContact CE1-CG 3.64Å; Y742-Y783 HydrophobicContact CE1-CG 3.64Å; Y742-Y783 AromaticContact CZ-CD2 3.69Å; Y742-Y783 AromaticContact CZ-CE2 3.9Å; Y742-Y783 WeakPolarHBondContact OH-CD2 3.33Å; Y742-Y783 WeakPolarHBondContact OH-CE2 3.32Å; Y783-V795 WeakPolarHBondContact CA-O 3.43Å; Y783-V795 WeakPolarHBondContact CB-O 3.2Å; Y783-V795 HydrophobicContact CD1-CG1 4.24Å; Y783-V795 HydrophobicContact CG-CG1 4.45Å; Y783-V795 PolarHBondContact N-O 2.87Å; Y783-A1042 WeakPolarHBondContact O-CB 3.07Å; Y783-A1042 PolarHBondContact O-N 3.44Å; Y783-I1044 HydrophobicContact CD2-CD1 3.01Å; Y783-I1044 HydrophobicContact CD2-CG1 4.48Å; Y783-I1044 HydrophobicContact CE2-CD1 3.26Å; Y783-I1044 HydrophobicContact CE2-CG1 4.49Å; Y783-I1044 HydrophobicContact CG-CD1 3.78Å
784	A	93.9	Very high	93.3	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	161.7	-177.7	0	0	0	0	0	111.6	M711 L782 V795 Y1040 V1041	M711-A784 HydrophobicContact CE-CB 4.37Å; M711-A784 HydrophobicContact SD-CB 3.83Å; L782-A784 WeakPolarHBondContact CD1-O 3.29Å; A784-V795 HydrophobicContact CB-CB 4.27Å; A784-V795 HydrophobicContact CB-CG2 4.28Å; A784-V795 PolarHBondContact N-O 3.12Å; A784-V795 WeakPolarHBondContact O-CB 3.24Å; A784-V795 PolarHBondContact O-N 2.88Å; A784-Y1040 CarbonylContact C-O 3.18Å; A784-Y1040 WeakPolarHBondContact CA-O 3.46Å; A784-Y1040 VanDerWaalsContact CB-O 3.31Å; A784-Y1040 WeakPolarHBondContact CB-O 3.38Å; A784-V1041 HydrophobicContact CB-CG2 4.17Å
785	C	95.1	Very high	93.8	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.02	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	137	162.7	-68.6	0	0	0	0	108.8	L782 C793 F794 F1038 D1039 Y1040	L782-C785 VanDerWaalsContact CD2-SG 3.58Å; C785-C793 WeakPolarHBondContact CA-O 3.46Å; C785-F794 WeakPolarHBondContact SG-CD1 3.34Å; C785-F1038 HydrophobicContact CB-CD1 4.03Å; C785-F1038 HydrophobicContact CB-CE1 3.62Å; C785-F1038 HydrophobicContact CB-CZ 3.96Å; C785-F1038 WeakPolarHBondContact CB-O 3.27Å; C785-D1039 WeakPolarHBondContact O-CA 3.13Å; C785-Y1040 PolarHBondContact N-O 3.42Å; C785-Y1040 PolarHBondContact O-N 2.85Å; C785-Y1040 VanDerWaalsContact O-O 3.07Å
786	F	94.9	Very high	94.1	Very high	5 Å²	5	22.9 Å²	22.9	2%	0.022	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	158.8	169.1	69.2	-91.3	0	0	0	110.2	M711 I713 F716 L744 T788 C793 V795 F1038 D1039	M711-F786 HydrophobicContact CG-CD1 4.03Å; M711-F786 HydrophobicContact CG-CE1 4.48Å; M711-F786 VanDerWaalsContact O-CB 3.31Å; M711-F786 WeakPolarHBondContact O-CB 3.06Å; M711-F786 HydrophobicContact SD-CD1 4.29Å; I713-F786 HydrophobicContact CB-CE2 4.21Å; F716-F786 HydrophobicContact CD2-CE1 4.37Å; F716-F786 HydrophobicContact CD2-CZ 4.45Å; F716-F786 AromaticContact CE2-CE1 3.76Å; F716-F786 HydrophobicContact CE2-CE1 3.76Å; F716-F786 HydrophobicContact CE2-CZ 4.27Å; F716-F786 HydrophobicContact CZ-CE1 4.42Å; L744-F786 HydrophobicContact CD2-CZ 4.37Å; F786-T788 HydrophobicContact CE2-CG2 4.46Å; F786-C793 HydrophobicContact CD1-CB 4.06Å; F786-C793 HydrophobicContact CD2-CB 4.12Å; F786-C793 HydrophobicContact CE1-CB 3.69Å; F786-C793 HydrophobicContact CE2-CB 3.74Å; F786-C793 HydrophobicContact CG-CB 4.26Å; F786-C793 HydrophobicContact CZ-CB 3.52Å; F786-C793 PolarHBondContact N-O 3.31Å; F786-C793 WeakPolarHBondContact O-CB 3.21Å; F786-C793 PolarHBondContact O-N 3.04Å; F786-V795 HydrophobicContact CD1-CG2 3.74Å; F786-V795 HydrophobicContact CE1-CG2 3.52Å; F786-F1038 WeakPolarHBondContact O-CE1 2.99Å; F786-D1039 WeakPolarHBondContact CA-OD1 3.32Å
787	Q	93.8	Very high	94.1	Very high	47 Å²	47	24.7 Å²	24.7	22%	0.22	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	154.6	178	67.7	-167.8	-55.7	0	0	112.8	H791 V792 F1035 F1038 D1039	Q787-H791 WeakPolarHBondContact CA-O 3.49Å; Q787-V792 HydrophobicContact CB-CG1 4.25Å; Q787-F1035 PolarHBondContact NE2-O 3.48Å; Q787-F1035 VanDerWaalsContact OE1-CB 3.31Å; Q787-F1035 PolarHBondContact OE1-O 3.5Å; Q787-F1038 HydrophobicContact CB-CD1 4.25Å; Q787-D1039 VanDerWaalsContact CG-OD1 3.3Å; Q787-D1039 WeakPolarHBondContact CG-OD1 3.44Å; Q787-D1039 PolarHBondContact N-OD1 3.03Å; Q787-D1039 PolarHBondContact NE2-OD1 3.12Å; Q787-D1039 PolarHBondContact NE2-OD2 3.2Å
788	T	91.5	Very high	94.1	Very high	37 Å²	37	24.6 Å²	24.6	23%	0.227	11%	0.11	C	C	.	.			trans	-110.9	-174.8	166	75.7	0	0	0	0	109	K749 F786 D790 H791 F1018	K749-T788 WeakPolarHBondContact CE-O 3.3Å; K749-T788 PolarHBondContact NZ-O 3.03Å; F786-T788 HydrophobicContact CE2-CG2 4.46Å; T788-D790 PolarHBondContact O-N 2.93Å; T788-D790 PolarHBondContact OG1-N 3.08Å; T788-H791 PolarHBondContact N-O 3.09Å; T788-H791 WeakPolarHBondContact OG1-CB 3.39Å; T788-H791 PolarHBondContact OG1-N 3.09Å; T788-H791 PolarHBondContact OG1-ND1 3.01Å; T788-F1018 HydrophobicContact CG2-CE1 4.47Å
789	R	90.4	Very high	94	Very high	177 Å²	177	24.8 Å²	24.8	67%	0.668	11%	0.112	S	C	*	.	S	Bend	trans	-57.1	-39.1	172.8	-174.2	-179.5	176.2	173.5	-0.6	112.1	Q1032	R789-Q1032 PolarHBondContact O-NE2 2.85Å
790	D	90.7	Very high	94	Very high	53 Å²	53	25.9 Å²	25.9	28%	0.283	12%	0.117	S	C	.	.	S	Bend	trans	-116.7	-10.6	-169.1	-58.6	-49.6	0	0	0	113.7	K749 T788 P1021	K749-D790 PolarHBondContact N-O 3.29Å; T788-D790 PolarHBondContact O-N 2.93Å; T788-D790 PolarHBondContact OG1-N 3.08Å; D790-P1021 HydrophobicContact CB-CG 4.26Å
791	H	93.4	Very high	94	Very high	13 Å²	13	25.7 Å²	25.7	6%	0.06	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	158.1	-173.7	-53.5	85	0	0	0	112.6	I746 L747 K749 Q787 T788 S1019	I746-H791 HydrophobicContact CG2-CB 4.01Å; L747-H791 CarbonylContact O-C 3.59Å; L747-H791 WeakPolarHBondContact O-CA 3.39Å; L747-H791 WeakPolarHBondContact O-CB 3.45Å; K749-H791 WeakPolarHBondContact CE-O 3.21Å; Q787-H791 WeakPolarHBondContact CA-O 3.49Å; T788-H791 PolarHBondContact N-O 3.09Å; T788-H791 WeakPolarHBondContact OG1-CB 3.39Å; T788-H791 PolarHBondContact OG1-N 3.09Å; T788-H791 PolarHBondContact OG1-ND1 3.01Å; H791-S1019 PolarHBondContact NE2-O 2.82Å
792	V	94.5	Very high	94.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	140.2	163.3	-67.3	0	0	0	0	107.9	I746 L747 K749 I752 L761 Q787 F1035 F1038	I746-V792 WeakPolarHBondContact CA-O 3.37Å; L747-V792 HydrophobicContact CB-CG2 3.82Å; L747-V792 HydrophobicContact CD1-CG2 4.16Å; L747-V792 PolarHBondContact N-O 3.45Å; L747-V792 PolarHBondContact O-N 3.19Å; K749-V792 HydrophobicContact CD-CG1 4.46Å; K749-V792 HydrophobicContact CG-CG1 3.98Å; I752-V792 HydrophobicContact CD1-CG2 3.87Å; L761-V792 HydrophobicContact CD1-CG2 4Å; L761-V792 HydrophobicContact CD2-CB 4.5Å; L761-V792 HydrophobicContact CD2-CG1 4.3Å; L761-V792 HydrophobicContact CD2-CG2 3.94Å; Q787-V792 HydrophobicContact CB-CG1 4.25Å; V792-F1035 HydrophobicContact CG1-CD1 3.73Å; V792-F1035 HydrophobicContact CG1-CE1 4.2Å; V792-F1035 HydrophobicContact CG1-CG 4.43Å; V792-F1038 HydrophobicContact CB-CD1 4.01Å; V792-F1038 HydrophobicContact CB-CD2 4.47Å; V792-F1038 HydrophobicContact CB-CE1 3.61Å; V792-F1038 HydrophobicContact CB-CE2 4.12Å; V792-F1038 HydrophobicContact CB-CG 4.43Å; V792-F1038 HydrophobicContact CB-CZ 3.68Å; V792-F1038 HydrophobicContact CG1-CD1 4.02Å; V792-F1038 HydrophobicContact CG1-CD2 4.41Å; V792-F1038 HydrophobicContact CG1-CE1 4.15Å; V792-F1038 HydrophobicContact CG1-CG 4.16Å; V792-F1038 HydrophobicContact CG1-CZ 4.42Å; V792-F1038 HydrophobicContact CG2-CZ 4.32Å
793	C	95.5	Very high	94.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	123.3	-173.8	-57.6	0	0	0	0	110.3	K745 C785 F786	K745-C793 WeakPolarHBondContact O-CA 3.48Å; C785-C793 WeakPolarHBondContact CA-O 3.46Å; F786-C793 HydrophobicContact CD1-CB 4.06Å; F786-C793 HydrophobicContact CD2-CB 4.12Å; F786-C793 HydrophobicContact CE1-CB 3.69Å; F786-C793 HydrophobicContact CE2-CB 3.74Å; F786-C793 HydrophobicContact CG-CB 4.26Å; F786-C793 HydrophobicContact CZ-CB 3.52Å; F786-C793 PolarHBondContact N-O 3.31Å; F786-C793 WeakPolarHBondContact O-CB 3.21Å; F786-C793 PolarHBondContact O-N 3.04Å
794	F	95.2	Very high	94.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	125.4	164.1	-62.6	-91.7	0	0	0	108.7	L744 K745 L747 L761 E764 K765 F768 L782 C785 M796 F1038	L744-F794 CarbonylContact C-O 3.28Å; L744-F794 WeakPolarHBondContact CA-O 3.19Å; K745-F794 HydrophobicContact CB-CB 4.27Å; K745-F794 PolarHBondContact N-O 3.08Å; K745-F794 PolarHBondContact O-N 2.67Å; L747-F794 HydrophobicContact CD1-CD2 3.79Å; L747-F794 HydrophobicContact CD1-CE2 3.8Å; L761-F794 HydrophobicContact CD1-CE2 3.5Å; L761-F794 HydrophobicContact CD1-CZ 3.69Å; L761-F794 HydrophobicContact CG-CZ 4.41Å; E764-F794 HydrophobicContact CG-CZ 4.33Å; K765-F794 HydrophobicContact CB-CE1 4.03Å; K765-F794 HydrophobicContact CG-CE1 4.46Å; F768-F794 HydrophobicContact CD2-CD1 4.1Å; F768-F794 HydrophobicContact CD2-CE1 4.17Å; F768-F794 HydrophobicContact CE2-CD1 4.16Å; F768-F794 HydrophobicContact CE2-CE1 4.43Å; L782-F794 HydrophobicContact CD1-CB 3.8Å; L782-F794 HydrophobicContact CD1-CD1 3.83Å; L782-F794 HydrophobicContact CD1-CG 4.33Å; L782-F794 HydrophobicContact CD2-CD1 4.45Å; C785-F794 WeakPolarHBondContact SG-CD1 3.34Å; F794-M796 HydrophobicContact CB-CG 4.15Å; F794-F1038 HydrophobicContact CD1-CZ 4.25Å; F794-F1038 HydrophobicContact CD2-CZ 4.12Å; F794-F1038 AromaticContact CE1-CE2 3.91Å; F794-F1038 HydrophobicContact CE1-CE2 3.91Å; F794-F1038 AromaticContact CE1-CZ 3.97Å; F794-F1038 HydrophobicContact CE1-CZ 3.97Å; F794-F1038 AromaticContact CE2-CE2 3.96Å; F794-F1038 HydrophobicContact CE2-CE2 3.96Å; F794-F1038 AromaticContact CE2-CZ 3.85Å; F794-F1038 HydrophobicContact CE2-CZ 3.85Å; F794-F1038 HydrophobicContact CG-CZ 4.32Å; F794-F1038 AromaticContact CZ-CE2 3.54Å; F794-F1038 HydrophobicContact CZ-CE2 3.54Å; F794-F1038 AromaticContact CZ-CZ 3.78Å; F794-F1038 HydrophobicContact CZ-CZ 3.78Å
795	V	95.7	Very high	94	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	101.1	175.3	-173.4	0	0	0	0	107.3	M711 F716 Y742 L744 L782 Y783 A784 F786	M711-V795 HydrophobicContact SD-CG2 4.11Å; F716-V795 HydrophobicContact CE1-CG1 4.09Å; F716-V795 HydrophobicContact CE2-CG2 4.47Å; F716-V795 HydrophobicContact CZ-CG1 3.94Å; F716-V795 HydrophobicContact CZ-CG2 3.94Å; Y742-V795 HydrophobicContact CD1-CG1 3.93Å; Y742-V795 HydrophobicContact CD2-CG1 4.42Å; Y742-V795 HydrophobicContact CG-CG1 3.74Å; L744-V795 HydrophobicContact CD1-CG1 4.2Å; L744-V795 HydrophobicContact CG-CG2 4.41Å; L782-V795 WeakPolarHBondContact CD1-O 3.38Å; Y783-V795 WeakPolarHBondContact CA-O 3.43Å; Y783-V795 WeakPolarHBondContact CB-O 3.2Å; Y783-V795 HydrophobicContact CD1-CG1 4.24Å; Y783-V795 HydrophobicContact CG-CG1 4.45Å; Y783-V795 PolarHBondContact N-O 2.87Å; A784-V795 HydrophobicContact CB-CB 4.27Å; A784-V795 HydrophobicContact CB-CG2 4.28Å; A784-V795 PolarHBondContact N-O 3.12Å; A784-V795 WeakPolarHBondContact O-CB 3.24Å; A784-V795 PolarHBondContact O-N 2.88Å; F786-V795 HydrophobicContact CD1-CG2 3.74Å; F786-V795 HydrophobicContact CE1-CG2 3.52Å
796	M	95.1	Very high	93.6	Very high	19 Å²	19	31.3 Å²	31.3	9%	0.094	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	160.2	-174	-52.9	176.7	-55.4	0	0	110.8	V730 Y742 A743 K745 F768 T780 N781 L782 F794	V730-M796 HydrophobicContact CG1-CE 4.45Å; Y742-M796 WeakPolarHBondContact CA-O 3.43Å; Y742-M796 WeakPolarHBondContact CB-O 3.36Å; A743-M796 HydrophobicContact CB-CE 4.28Å; A743-M796 PolarHBondContact N-O 3.04Å; A743-M796 WeakPolarHBondContact O-CB 3.48Å; A743-M796 PolarHBondContact O-N 3.21Å; K745-M796 HydrophobicContact CB-CE 3.7Å; K745-M796 HydrophobicContact CB-SD 4.21Å; F768-M796 HydrophobicContact CE1-SD 4.48Å; F768-M796 HydrophobicContact CZ-CG 4.3Å; F768-M796 HydrophobicContact CZ-SD 3.78Å; T780-M796 HydrophobicContact CG2-CB 4.21Å; N781-M796 WeakPolarHBondContact O-CA 3.33Å; L782-M796 HydrophobicContact CD1-CG 4.24Å; F794-M796 HydrophobicContact CB-CG 4.15Å
797	E	94	Very high	93.3	Very high	53 Å²	53	32 Å²	32	25%	0.248	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	144.8	168.9	68.8	177.1	136.1	0	0	111.3	T780 N781 K856	T780-E797 VanDerWaalsContact CA-OE1 3.3Å; T780-E797 WeakPolarHBondContact CA-OE1 3.46Å; T780-E797 HydrophobicContact CG2-CG 3.71Å; N781-E797 HydrophobicContact CB-CG 4.49Å; N781-E797 PolarHBondContact N-OE1 3.46Å; N781-E797 PolarHBondContact ND2-OE1 3.22Å; N781-E797 PolarHBondContact O-N 2.98Å; E797-K856 WeakPolarHBondContact OE1-CE 3.34Å; E797-K856 IonicContact OE1-NZ 3.54Å; E797-K856 PolarHBondContact OE1-NZ 3.5Å; E797-K856 WeakPolarHBondContact OE2-CE 3.48Å; E797-K856 IonicContact OE2-NZ 3.39Å; E797-K856 PolarHBondContact OE2-NZ 3.5Å
798	Y	95.5	Very high	92.9	Very high	27 Å²	27	30.6 Å²	30.6	11%	0.106	14%	0.139	C	C	.	.			trans	-91.5	108.6	179.4	175.8	-136.4	0	0	0	111.1	L722 L732 M800 P1001 D1003 F1007	L722-Y798 HydrophobicContact CD1-CD2 3.86Å; L722-Y798 HydrophobicContact CD1-CE2 3.63Å; L722-Y798 HydrophobicContact CD2-CE2 4.19Å; L732-Y798 HydrophobicContact CD1-CD1 3.53Å; L732-Y798 HydrophobicContact CD1-CD2 3.86Å; L732-Y798 HydrophobicContact CD1-CE1 3.6Å; L732-Y798 HydrophobicContact CD1-CE2 3.93Å; L732-Y798 HydrophobicContact CD1-CG 3.67Å; L732-Y798 HydrophobicContact CD2-CE1 4.11Å; Y798-M800 HydrophobicContact CD1-CG 3.67Å; Y798-M800 HydrophobicContact CE1-CB 4.19Å; Y798-M800 HydrophobicContact CE1-CE 4.06Å; Y798-M800 HydrophobicContact CE1-CG 3.53Å; Y798-M800 HydrophobicContact CE1-SD 4.49Å; Y798-M800 HydrophobicContact CG-CG 4.4Å; Y798-M800 PolarHBondContact O-N 3.08Å; Y798-P1001 WeakPolarHBondContact CE1-O 3.49Å; Y798-D1003 PolarHBondContact OH-O 3.13Å; Y798-F1007 HydrophobicContact CD2-CZ 4.46Å; Y798-F1007 AromaticContact CE2-CE2 3.72Å; Y798-F1007 HydrophobicContact CE2-CE2 3.72Å; Y798-F1007 AromaticContact CE2-CZ 3.54Å; Y798-F1007 HydrophobicContact CE2-CZ 3.54Å; Y798-F1007 AromaticContact CZ-CE2 3.95Å; Y798-F1007 VanDerWaalsContact OH-CE2 3.3Å; Y798-F1007 WeakPolarHBondContact OH-CE2 3.47Å
799	A	95.6	Very high	92	Very high	4 Å²	4	36.2 Å²	36.2	3%	0.033	16%	0.162	C	C	.	.			trans	-86.9	91.6	174.2	0	0	0	0	0	110.6	G801 G802 L848 L849 F1007	A799-G801 PolarHBondContact O-N 3.31Å; A799-G801 VanDerWaalsContact O-N 3.13Å; A799-G802 PolarHBondContact O-N 2.98Å; A799-L848 HydrophobicContact CB-CB 3.62Å; A799-L848 HydrophobicContact CB-CD1 3.87Å; A799-L848 HydrophobicContact CB-CG 4.39Å; A799-L849 CarbonylContact C-O 3.48Å; A799-F1007 WeakPolarHBondContact O-CZ 3.34Å
800	M	95.6	Very high	90.9	Very high	23 Å²	23	33.4 Å²	33.4	11%	0.113	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-19.5	-170.7	-54.7	-173.2	73.3	0	0	115.7	Y798 G802 R851 I998 S1000 P1001 N1006	Y798-M800 HydrophobicContact CD1-CG 3.67Å; Y798-M800 HydrophobicContact CE1-CB 4.19Å; Y798-M800 HydrophobicContact CE1-CE 4.06Å; Y798-M800 HydrophobicContact CE1-CG 3.53Å; Y798-M800 HydrophobicContact CE1-SD 4.49Å; Y798-M800 HydrophobicContact CG-CG 4.4Å; Y798-M800 PolarHBondContact O-N 3.08Å; M800-G802 VanDerWaalsContact C-N 3.28Å; M800-G802 PolarHBondContact O-N 3.32Å; M800-R851 HydrophobicContact SD-CB 4.23Å; M800-I998 HydrophobicContact CB-CD1 3.53Å; M800-I998 HydrophobicContact CB-CG1 4.24Å; M800-I998 HydrophobicContact CE-CG2 3.29Å; M800-I998 HydrophobicContact SD-CD1 4.42Å; M800-I998 HydrophobicContact SD-CG2 4.13Å; M800-S1000 WeakPolarHBondContact CE-O 3.46Å; M800-P1001 VanDerWaalsContact CE-CA 3.45Å; M800-N1006 PolarHBondContact O-ND2 3.35Å
801	G	95.2	Very high	90.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-5.1	-175.6	0	0	0	0	0	114.2	A799 H807 L849 N1006	A799-G801 PolarHBondContact O-N 3.31Å; A799-G801 VanDerWaalsContact O-N 3.13Å; G801-H807 PolarHBondContact O-NE2 2.7Å; G801-L849 WeakPolarHBondContact CA-O 3.29Å; G801-L849 PolarHBondContact N-O 3.32Å; G801-N1006 WeakPolarHBondContact O-CB 3.49Å
802	G	94	Very high	89.9	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.191	C	C	.	.			trans	72.9	179.3	-177.2	0	0	0	0	0	113.3	A799 M800 L848 L849 N1006	A799-G802 PolarHBondContact O-N 2.98Å; M800-G802 VanDerWaalsContact C-N 3.28Å; M800-G802 PolarHBondContact O-N 3.32Å; G802-L848 CarbonylContact O-C 3.45Å; G802-L848 WeakPolarHBondContact O-CA 3.14Å; G802-L849 PolarHBondContact O-N 3.2Å; G802-N1006 WeakPolarHBondContact CA-O 3.43Å
803	D	94	Very high	89.8	Confident	34 Å²	34	39.4 Å²	39.4	18%	0.182	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-81.3	156.3	178	60.7	79.2	0	0	0	113	M805 R806 H807 L847 L848	D803-M805 PolarHBondContact O-N 3.48Å; D803-M805 WeakPolarHBondContact OD1-CA 3.42Å; D803-M805 VanDerWaalsContact OD1-CB 3.26Å; D803-M805 WeakPolarHBondContact OD1-CB 3.45Å; D803-M805 PolarHBondContact OD1-N 3.01Å; D803-M805 VanDerWaalsContact OD1-N 3.07Å; D803-R806 PolarHBondContact O-N 3.24Å; D803-R806 PolarHBondContact OD1-N 3.27Å; D803-H807 PolarHBondContact O-CD2 3.14Å; D803-L847 CarbonylContact C-O 3.54Å; D803-L847 VanDerWaalsContact CA-O 3.31Å; D803-L847 WeakPolarHBondContact CA-O 3.49Å; D803-L848 HydrophobicContact CB-CD2 3.68Å
804	L	94.1	Very high	89.7	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.1	-23.6	179.2	-73	-172	0	0	0	113.6	R806 H807 I808 F813 Y821 L844 L847 L849 L855 M909	L804-R806 VanDerWaalsContact C-N 3.32Å; L804-H807 PolarHBondContact O-N 3.22Å; L804-H807 VanDerWaalsContact O-N 3.13Å; L804-I808 PolarHBondContact O-N 3.46Å; L804-F813 HydrophobicContact CB-CE2 4.43Å; L804-F813 HydrophobicContact CB-CZ 4.48Å; L804-F813 HydrophobicContact CD1-CE2 4.28Å; L804-F813 HydrophobicContact CD2-CE2 4.09Å; L804-F813 HydrophobicContact CD2-CZ 4.14Å; L804-Y821 HydrophobicContact CD1-CD2 4.03Å; L804-Y821 HydrophobicContact CD1-CG 4.29Å; L804-Y821 HydrophobicContact CD2-CD2 4Å; L804-Y821 HydrophobicContact CD2-CE2 3.69Å; L804-L844 HydrophobicContact CB-CB 4.33Å; L804-L844 HydrophobicContact CB-CD2 3.79Å; L804-L844 HydrophobicContact CD1-CD2 4.13Å; L804-L844 PolarHBondContact N-O 2.97Å; L804-L847 HydrophobicContact CB-CB 4.47Å; L804-L847 HydrophobicContact CD1-CB 3.9Å; L804-L847 HydrophobicContact CD1-CD1 4.1Å; L804-L847 HydrophobicContact CG-CB 4.04Å; L804-L847 PolarHBondContact N-O 3.41Å; L804-L849 HydrophobicContact CD2-CD1 3.98Å; L804-L849 HydrophobicContact CD2-CD2 3.84Å; L804-L849 HydrophobicContact CD2-CG 3.87Å; L804-L855 HydrophobicContact CD1-CD1 3.69Å; L804-M909 HydrophobicContact CD1-SD 4.46Å
805	M	90	Very high	89.8	Confident	77 Å²	77	44.8 Å²	44.8	38%	0.379	22%	0.224	S	C	.	.	H	α-helix	trans	-64.6	-39.9	178.5	-172.8	60.8	-179.9	0	0	110.5	D803 H807 I808 H809 L844 D845	D803-M805 PolarHBondContact O-N 3.48Å; D803-M805 WeakPolarHBondContact OD1-CA 3.42Å; D803-M805 VanDerWaalsContact OD1-CB 3.26Å; D803-M805 WeakPolarHBondContact OD1-CB 3.45Å; D803-M805 PolarHBondContact OD1-N 3.01Å; D803-M805 VanDerWaalsContact OD1-N 3.07Å; M805-H807 VanDerWaalsContact C-N 3.28Å; M805-H807 PolarHBondContact O-N 3.19Å; M805-I808 WeakPolarHBondContact O-CG2 3.47Å; M805-I808 PolarHBondContact O-N 2.94Å; M805-I808 HydrophobicContact SD-CG2 4.01Å; M805-H809 PolarHBondContact O-N 3.45Å; M805-L844 HydrophobicContact CB-CB 3.92Å; M805-L844 HydrophobicContact SD-CB 4.19Å; M805-L844 HydrophobicContact SD-CD1 4Å; M805-D845 WeakPolarHBondContact CG-OD1 3.46Å
806	R	86.5	Confident	89.8	Confident	89 Å²	89	50.3 Å²	50.3	34%	0.336	25%	0.25	S	C	.	.	H	α-helix	trans	-61.6	-36	172.2	-178.9	60.9	-172.6	95.7	-3.6	112.9	D803 L804 D810	D803-R806 PolarHBondContact O-N 3.24Å; D803-R806 PolarHBondContact OD1-N 3.27Å; L804-R806 VanDerWaalsContact C-N 3.32Å; R806-D810 IonicContact NH1-OD1 2.82Å; R806-D810 PolarHBondContact NH1-OD1 2.64Å; R806-D810 IonicContact NH1-OD2 3.98Å
807	H	89	Confident	89.8	Confident	18 Å²	18	50.9 Å²	50.9	8%	0.083	25%	0.251	C	S	.	.	H	α-helix	trans	-78.2	-28.7	-178.1	-73.5	-74.4	0	0	0	114	G801 D803 L804 M805 F813 F994	G801-H807 PolarHBondContact O-NE2 2.7Å; D803-H807 PolarHBondContact O-CD2 3.14Å; L804-H807 PolarHBondContact O-N 3.22Å; L804-H807 VanDerWaalsContact O-N 3.13Å; M805-H807 VanDerWaalsContact C-N 3.28Å; M805-H807 PolarHBondContact O-N 3.19Å; H807-F813 HydrophobicContact CB-CE1 4.01Å; H807-F813 HydrophobicContact CB-CZ 3.87Å; H807-F994 AromaticContact CE1-CE1 3.42Å; H807-F994 VanDerWaalsContact CE1-CE1 3.42Å; H807-F994 WeakPolarHBondContact CE1-CE1 3.45Å; H807-F994 AromaticContact CE1-CZ 3.61Å; H807-F994 AromaticContact ND1-CE1 3.43Å; H807-F994 WeakPolarHBondContact ND1-CE1 3.49Å; H807-F994 AromaticContact ND1-CZ 3.47Å; H807-F994 WeakPolarHBondContact ND1-CZ 3.41Å
808	I	85.2	Confident	90	Very high	19 Å²	19	48.3 Å²	48.3	10%	0.097	24%	0.239	C	C	.	.	H	α-helix	trans	-79.5	-23.2	177.2	-155.9	172.8	0	0	0	112.2	L804 M805 D810 D811 F813 L844 E908	L804-I808 PolarHBondContact O-N 3.46Å; M805-I808 WeakPolarHBondContact O-CG2 3.47Å; M805-I808 PolarHBondContact O-N 2.94Å; M805-I808 HydrophobicContact SD-CG2 4.01Å; I808-D810 PolarHBondContact O-N 2.98Å; I808-D811 WeakPolarHBondContact CA-O 3.31Å; I808-D811 CarbonylContact O-C 3.57Å; I808-D811 PolarHBondContact O-N 2.87Å; I808-D811 VanDerWaalsContact O-O 3.11Å; I808-F813 HydrophobicContact CB-CE1 4.02Å; I808-F813 HydrophobicContact CB-CZ 4.03Å; I808-F813 HydrophobicContact CG1-CD1 4.44Å; I808-F813 HydrophobicContact CG1-CE1 4.27Å; I808-L844 HydrophobicContact CB-CD1 4.44Å; I808-L844 HydrophobicContact CD1-CD1 3.93Å; I808-L844 HydrophobicContact CG2-CD1 3.85Å; I808-E908 VanDerWaalsContact CD1-O 3.26Å; I808-E908 WeakPolarHBondContact CD1-O 3.36Å
809	H	73.8	Confident	90.1	Very high	155 Å²	155	47 Å²	47	72%	0.718	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-28.2	178.8	-174.5	-78.4	0	0	0	112.8	M805	M805-H809 PolarHBondContact O-N 3.45Å
810	D	67	Low	90.2	Very high	118 Å²	118	47 Å²	47	63%	0.631	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-41.9	179	-64.7	-11.1	0	0	0	111.9	R806 I808	R806-D810 IonicContact NH1-OD1 2.82Å; R806-D810 PolarHBondContact NH1-OD1 2.64Å; R806-D810 IonicContact NH1-OD2 3.98Å; I808-D810 PolarHBondContact O-N 2.98Å
811	D	74.2	Confident	90.3	Very high	117 Å²	117	46 Å²	46	63%	0.626	23%	0.228	S	C	*	.	S	Bend	trans	-163.8	156.4	173.8	-162.2	7.9	0	0	0	111	I808	I808-D811 WeakPolarHBondContact CA-O 3.31Å; I808-D811 CarbonylContact O-C 3.57Å; I808-D811 PolarHBondContact O-N 2.87Å; I808-D811 VanDerWaalsContact O-O 3.11Å
812	I	87.7	Confident	90.5	Very high	70 Å²	70	46 Å²	46	36%	0.359	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-62	153.3	172.2	60.4	169.4	0	0	0	110.8
813	F	92.3	Very high	90.7	Very high	5 Å²	5	46 Å²	46	2%	0.022	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-80.5	140.1	179.9	-62.7	-15	0	0	0	111.2	L804 H807 I808 R817 A818 Y821 M909	L804-F813 HydrophobicContact CB-CE2 4.43Å; L804-F813 HydrophobicContact CB-CZ 4.48Å; L804-F813 HydrophobicContact CD1-CE2 4.28Å; L804-F813 HydrophobicContact CD2-CE2 4.09Å; L804-F813 HydrophobicContact CD2-CZ 4.14Å; H807-F813 HydrophobicContact CB-CE1 4.01Å; H807-F813 HydrophobicContact CB-CZ 3.87Å; I808-F813 HydrophobicContact CB-CE1 4.02Å; I808-F813 HydrophobicContact CB-CZ 4.03Å; I808-F813 HydrophobicContact CG1-CD1 4.44Å; I808-F813 HydrophobicContact CG1-CE1 4.27Å; F813-R817 HydrophobicContact CB-CB 4.27Å; F813-R817 HydrophobicContact CB-CG 4.26Å; F813-R817 VanDerWaalsContact CE1-NH1 3.35Å; F813-R817 HydrophobicContact CG-CG 4.25Å; F813-A818 HydrophobicContact CB-CB 4.37Å; F813-Y821 AromaticContact CD2-CD2 4Å; F813-Y821 HydrophobicContact CD2-CD2 4Å; F813-Y821 HydrophobicContact CD2-CE2 4.12Å; F813-Y821 AromaticContact CE2-CD2 3.94Å; F813-Y821 HydrophobicContact CE2-CD2 3.94Å; F813-Y821 AromaticContact CE2-CE2 3.91Å; F813-Y821 HydrophobicContact CE2-CE2 3.91Å; F813-Y821 HydrophobicContact CZ-CE2 4.42Å; F813-M909 HydrophobicContact CB-CB 4.39Å; F813-M909 WeakPolarHBondContact CB-O 3.42Å; F813-M909 HydrophobicContact CD2-CB 3.89Å; F813-M909 HydrophobicContact CD2-CG 3.66Å; F813-M909 HydrophobicContact CD2-SD 3.8Å; F813-M909 HydrophobicContact CE2-CG 4.02Å; F813-M909 HydrophobicContact CE2-SD 4.13Å; F813-M909 PolarHBondContact N-O 3.07Å
814	S	94.5	Very high	90.9	Very high	65 Å²	65	44.4 Å²	44.4	46%	0.455	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-60.3	155.4	167	69.3	0	0	0	0	110.8	E816 R817 A818	S814-E816 PolarHBondContact O-N 3.39Å; S814-R817 PolarHBondContact O-N 3.08Å; S814-R817 WeakPolarHBondContact OG-CB 3.46Å; S814-R817 PolarHBondContact OG-N 3.11Å; S814-A818 WeakPolarHBondContact O-CB 3.44Å; S814-A818 PolarHBondContact O-N 3.06Å
815	E	96.3	Very high	91.1	Very high	47 Å²	47	44.4 Å²	44.4	22%	0.22	22%	0.22	C	C	.	.	H	α-helix	trans	-59.3	-36.8	-179.3	-167.4	171.5	134.6	0	0	112.8	C819 L910 S940 F974 L977	E815-C819 WeakPolarHBondContact O-CB 3.37Å; E815-C819 PolarHBondContact O-N 2.64Å; E815-L910 HydrophobicContact CB-CD2 4.17Å; E815-L910 HydrophobicContact CG-CD2 4.28Å; E815-S940 WeakPolarHBondContact OE1-CB 3.23Å; E815-S940 PolarHBondContact OE1-OG 3.47Å; E815-S940 WeakPolarHBondContact OE2-CB 3.37Å; E815-S940 PolarHBondContact OE2-OG 2.97Å; E815-F974 HydrophobicContact CG-CE2 3.84Å; E815-L977 HydrophobicContact CB-CD1 4.4Å; E815-L977 HydrophobicContact CG-CD1 3.85Å
816	E	96.5	Very high	91.5	Very high	116 Å²	116	40.8 Å²	40.8	54%	0.542	20%	0.201	S	C	.	.	H	α-helix	trans	-63.1	-46.3	174.7	-61	-178.6	171.9	0	0	111.3	S814 C819 F820 L977 I993	S814-E816 PolarHBondContact O-N 3.39Å; E816-C819 PolarHBondContact O-N 3.23Å; E816-F820 WeakPolarHBondContact O-CB 3.13Å; E816-F820 PolarHBondContact O-N 3.04Å; E816-L977 HydrophobicContact CG-CD1 4.29Å; E816-L977 HydrophobicContact CG-CD2 4.5Å; E816-I993 HydrophobicContact CB-CD1 3.58Å; E816-I993 WeakPolarHBondContact O-CD1 3.39Å
817	R	95.7	Very high	92	Very high	31 Å²	31	36.9 Å²	36.9	12%	0.117	19%	0.187	C	C	.	.	H	α-helix	trans	-63.9	-46.9	179.1	-175.2	177.3	-174.3	-166	-2.7	111.1	F813 S814 C819 F820 Y821 I993	F813-R817 HydrophobicContact CB-CB 4.27Å; F813-R817 HydrophobicContact CB-CG 4.26Å; F813-R817 VanDerWaalsContact CE1-NH1 3.35Å; F813-R817 HydrophobicContact CG-CG 4.25Å; S814-R817 PolarHBondContact O-N 3.08Å; S814-R817 WeakPolarHBondContact OG-CB 3.46Å; S814-R817 PolarHBondContact OG-N 3.11Å; R817-C819 VanDerWaalsContact C-N 3.34Å; R817-C819 PolarHBondContact O-N 3.02Å; R817-F820 PolarHBondContact O-N 3.32Å; R817-Y821 HydrophobicContact CG-CD2 3.97Å; R817-Y821 HydrophobicContact CG-CE2 3.42Å; R817-Y821 VanDerWaalsContact CG-CE2 3.42Å; R817-Y821 VanDerWaalsContact NE-CE2 3.32Å; R817-Y821 PolarHBondContact NE-OH 3.4Å; R817-Y821 VanDerWaalsContact NE-OH 3.16Å; R817-Y821 PolarHBondContact NH2-OH 3.3Å; R817-Y821 WeakPolarHBondContact O-CD2 3.02Å; R817-Y821 PolarHBondContact O-N 3.32Å; R817-Y821 VanDerWaalsContact O-N 3.08Å; R817-I993 HydrophobicContact CB-CB 4.48Å; R817-I993 HydrophobicContact CB-CD1 4.49Å; R817-I993 HydrophobicContact CB-CG2 4.13Å
818	A	97.1	Very high	92.4	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.4	-41.7	175.9	0	0	0	0	0	111.8	F813 S814 A822 M909 L910	F813-A818 HydrophobicContact CB-CB 4.37Å; S814-A818 WeakPolarHBondContact O-CB 3.44Å; S814-A818 PolarHBondContact O-N 3.06Å; A818-A822 WeakPolarHBondContact O-CB 3.47Å; A818-A822 PolarHBondContact O-N 3.16Å; A818-M909 HydrophobicContact CB-CB 3.93Å; A818-M909 HydrophobicContact CB-CE 4.1Å; A818-M909 HydrophobicContact CB-SD 4.34Å; A818-M909 WeakPolarHBondContact O-CE 3.26Å; A818-L910 HydrophobicContact CB-CD2 3.55Å; A818-L910 HydrophobicContact CB-CG 4.07Å
819	C	97.8	Very high	93.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.8	-42.5	176.2	-179.4	0	0	0	0	112.3	E815 E816 R817 G823 F974 L977	E815-C819 WeakPolarHBondContact O-CB 3.37Å; E815-C819 PolarHBondContact O-N 2.64Å; E816-C819 PolarHBondContact O-N 3.23Å; R817-C819 VanDerWaalsContact C-N 3.34Å; R817-C819 PolarHBondContact O-N 3.02Å; C819-G823 PolarHBondContact O-N 2.94Å; C819-F974 HydrophobicContact CB-CD1 4.44Å; C819-F974 HydrophobicContact CB-CE1 3.87Å; C819-F974 HydrophobicContact CB-CE2 4.38Å; C819-F974 HydrophobicContact CB-CZ 3.83Å; C819-F974 PolarHBondContact SG-O 2.85Å; C819-L977 HydrophobicContact CB-CB 4.11Å; C819-L977 HydrophobicContact CB-CD1 3.98Å
820	F	97.8	Very high	94.2	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.018	15%	0.151	C	C	.	.	H	α-helix	trans	-60.6	-50	177.5	-179.5	-91.9	0	0	0	111.1	E816 R817 G823 C824 Y854 L985 I990 P992 I993	E816-F820 WeakPolarHBondContact O-CB 3.13Å; E816-F820 PolarHBondContact O-N 3.04Å; R817-F820 PolarHBondContact O-N 3.32Å; F820-G823 PolarHBondContact O-N 2.96Å; F820-G823 VanDerWaalsContact O-N 3.17Å; F820-C824 PolarHBondContact O-N 2.94Å; F820-C824 VanDerWaalsContact O-N 3.09Å; F820-C824 PolarHBondContact O-SG 2.97Å; F820-Y854 HydrophobicContact CE1-CD1 4.27Å; F820-Y854 HydrophobicContact CE2-CE1 4.46Å; F820-Y854 AromaticContact CZ-CD1 3.71Å; F820-Y854 HydrophobicContact CZ-CD1 3.71Å; F820-Y854 AromaticContact CZ-CE1 3.7Å; F820-Y854 HydrophobicContact CZ-CE1 3.7Å; F820-L985 HydrophobicContact CD2-CD1 4.08Å; F820-L985 HydrophobicContact CE2-CD1 3.55Å; F820-L985 HydrophobicContact CZ-CD1 3.97Å; F820-I990 HydrophobicContact CD2-CG2 4.15Å; F820-I990 HydrophobicContact CE2-CB 4.21Å; F820-I990 HydrophobicContact CE2-CG2 3.82Å; F820-P992 HydrophobicContact CE1-CB 3.95Å; F820-P992 HydrophobicContact CE1-CG 4.2Å; F820-P992 HydrophobicContact CZ-CB 3.97Å; F820-P992 HydrophobicContact CZ-CG 3.87Å; F820-I993 HydrophobicContact CB-CD1 3.95Å
821	Y	98	Very high	95.7	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.008	13%	0.127	C	C	.	.	H	α-helix	trans	-65.8	-42.4	178	-64.9	-31.2	0	0	0	112.9	L804 F813 R817 G823 C824 V825 L849 L855 M909	L804-Y821 HydrophobicContact CD1-CD2 4.03Å; L804-Y821 HydrophobicContact CD1-CG 4.29Å; L804-Y821 HydrophobicContact CD2-CD2 4Å; L804-Y821 HydrophobicContact CD2-CE2 3.69Å; F813-Y821 AromaticContact CD2-CD2 4Å; F813-Y821 HydrophobicContact CD2-CD2 4Å; F813-Y821 HydrophobicContact CD2-CE2 4.12Å; F813-Y821 AromaticContact CE2-CD2 3.94Å; F813-Y821 HydrophobicContact CE2-CD2 3.94Å; F813-Y821 AromaticContact CE2-CE2 3.91Å; F813-Y821 HydrophobicContact CE2-CE2 3.91Å; F813-Y821 HydrophobicContact CZ-CE2 4.42Å; R817-Y821 HydrophobicContact CG-CD2 3.97Å; R817-Y821 HydrophobicContact CG-CE2 3.42Å; R817-Y821 VanDerWaalsContact CG-CE2 3.42Å; R817-Y821 VanDerWaalsContact NE-CE2 3.32Å; R817-Y821 PolarHBondContact NE-OH 3.4Å; R817-Y821 VanDerWaalsContact NE-OH 3.16Å; R817-Y821 PolarHBondContact NH2-OH 3.3Å; R817-Y821 WeakPolarHBondContact O-CD2 3.02Å; R817-Y821 PolarHBondContact O-N 3.32Å; R817-Y821 VanDerWaalsContact O-N 3.08Å; Y821-G823 PolarHBondContact O-N 2.84Å; Y821-C824 WeakPolarHBondContact O-CB 3.26Å; Y821-C824 PolarHBondContact O-N 3.14Å; Y821-V825 WeakPolarHBondContact O-CG2 3.36Å; Y821-V825 PolarHBondContact O-N 3.38Å; Y821-L849 HydrophobicContact CD1-CD2 4.37Å; Y821-L849 HydrophobicContact CE1-CD2 3.68Å; Y821-L855 HydrophobicContact CD1-CB 4.07Å; Y821-L855 HydrophobicContact CD1-CD1 4.1Å; Y821-L855 HydrophobicContact CG-CD1 4.03Å; Y821-M909 HydrophobicContact CD2-SD 4.26Å
822	A	98.2	Very high	96.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.8	-33.2	172.9	0	0	0	0	0	112.1	A818 T826 L902 I906 M909 F974 F975	A818-A822 WeakPolarHBondContact O-CB 3.47Å; A818-A822 PolarHBondContact O-N 3.16Å; A822-T826 WeakPolarHBondContact O-CB 3.35Å; A822-T826 PolarHBondContact O-N 3.01Å; A822-T826 PolarHBondContact O-OG1 2.96Å; A822-L902 HydrophobicContact CB-CD1 4.34Å; A822-I906 HydrophobicContact CB-CD1 4.04Å; A822-I906 HydrophobicContact CB-CG1 3.87Å; A822-M909 HydrophobicContact CB-CE 4.3Å; A822-F974 HydrophobicContact CB-CE1 4.11Å; A822-F975 HydrophobicContact CB-CE1 4.02Å; A822-F975 HydrophobicContact CB-CZ 4.37Å
823	G	98.1	Very high	97.3	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-64.7	-47.3	173.9	0	0	0	0	0	112.2	C819 F820 Y821 V825 T826 L827	C819-G823 PolarHBondContact O-N 2.94Å; F820-G823 PolarHBondContact O-N 2.96Å; F820-G823 VanDerWaalsContact O-N 3.17Å; Y821-G823 PolarHBondContact O-N 2.84Å; G823-V825 PolarHBondContact O-N 3.34Å; G823-T826 PolarHBondContact O-N 2.67Å; G823-L827 PolarHBondContact O-N 2.96Å; G823-L827 VanDerWaalsContact O-N 3.1Å
824	C	98.1	Very high	97.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-59.2	-45.8	174.6	-62.9	0	0	0	0	111.7	F778 F820 Y821 T826 L827 G828 L855	F778-C824 HydrophobicContact CB-CB 4.38Å; F778-C824 HydrophobicContact CD1-CB 4.04Å; F778-C824 HydrophobicContact CD2-CB 4.05Å; F778-C824 HydrophobicContact CE1-CB 4.3Å; F778-C824 HydrophobicContact CE2-CB 4.3Å; F778-C824 HydrophobicContact CG-CB 3.89Å; F778-C824 HydrophobicContact CZ-CB 4.4Å; F820-C824 PolarHBondContact O-N 2.94Å; F820-C824 VanDerWaalsContact O-N 3.09Å; F820-C824 PolarHBondContact O-SG 2.97Å; Y821-C824 WeakPolarHBondContact O-CB 3.26Å; Y821-C824 PolarHBondContact O-N 3.14Å; C824-T826 PolarHBondContact O-N 3.19Å; C824-L827 PolarHBondContact O-N 3.33Å; C824-G828 PolarHBondContact O-N 3.01Å; C824-L855 HydrophobicContact CB-CB 3.87Å; C824-L855 HydrophobicContact CB-CD2 4.07Å; C824-L855 HydrophobicContact CB-CG 4.46Å
825	V	98.5	Very high	97.6	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.2	-42.8	176.8	173.5	0	0	0	0	111.3	Y821 G823 L827 G828 L829 L842 L847 L855 I857 L902 L905	Y821-V825 WeakPolarHBondContact O-CG2 3.36Å; Y821-V825 PolarHBondContact O-N 3.38Å; G823-V825 PolarHBondContact O-N 3.34Å; V825-L827 VanDerWaalsContact C-N 3.32Å; V825-L827 PolarHBondContact O-N 2.68Å; V825-G828 PolarHBondContact O-N 2.62Å; V825-L829 HydrophobicContact CG1-CD1 3.95Å; V825-L829 HydrophobicContact CG1-CG 4.14Å; V825-L829 WeakPolarHBondContact O-CB 3.18Å; V825-L829 WeakPolarHBondContact O-CG 3.4Å; V825-L829 PolarHBondContact O-N 3.01Å; V825-L842 HydrophobicContact CG1-CD1 3.78Å; V825-L842 HydrophobicContact CG1-CD2 3.95Å; V825-L842 HydrophobicContact CG1-CG 4.49Å; V825-L847 HydrophobicContact CG2-CD1 3.93Å; V825-L847 HydrophobicContact CG2-CD2 4.09Å; V825-L855 HydrophobicContact CG2-CD1 3.85Å; V825-L855 HydrophobicContact CG2-CD2 3.68Å; V825-L855 HydrophobicContact CG2-CG 4.47Å; V825-I857 HydrophobicContact CG1-CD1 4.4Å; V825-L902 HydrophobicContact CB-CD1 4.35Å; V825-L902 HydrophobicContact CG1-CD1 3.94Å; V825-L905 HydrophobicContact CG1-CD2 4.38Å; V825-L905 HydrophobicContact CG2-CD2 4.1Å
826	T	98.6	Very high	97.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59.6	-42.5	178.4	-60.9	0	0	0	0	111.4	A822 G823 C824 Q830 W899 A966 V969 K970 W982	A822-T826 WeakPolarHBondContact O-CB 3.35Å; A822-T826 PolarHBondContact O-N 3.01Å; A822-T826 PolarHBondContact O-OG1 2.96Å; G823-T826 PolarHBondContact O-N 2.67Å; C824-T826 PolarHBondContact O-N 3.19Å; T826-Q830 WeakPolarHBondContact O-CB 3.48Å; T826-Q830 PolarHBondContact O-N 3.08Å; T826-W899 HydrophobicContact CG2-CH2 4.32Å; T826-W899 HydrophobicContact CG2-CZ3 4.3Å; T826-A966 HydrophobicContact CG2-CB 4.48Å; T826-V969 HydrophobicContact CG2-CB 4.38Å; T826-V969 HydrophobicContact CG2-CG1 4Å; T826-K970 HydrophobicContact CG2-CG 4.18Å; T826-W982 HydrophobicContact CG2-CH2 4.2Å; T826-W982 HydrophobicContact CG2-CZ3 4.11Å
827	L	98.2	Very high	97.7	Very high	7 Å²	7	18.9 Å²	18.9	4%	0.037	9%	0.089	C	C	.	.	H	α-helix	trans	-68.6	-39.3	176	-71.6	170.5	0	0	0	112.2	H776 F778 G823 C824 V825 Q830 Y831 W982 L985 L986	H776-L827 PolarHBondContact NE2-O 3.23Å; F778-L827 HydrophobicContact CD2-CB 3.94Å; F778-L827 HydrophobicContact CD2-CD1 4.21Å; F778-L827 HydrophobicContact CE2-CB 4.26Å; F778-L827 HydrophobicContact CE2-CD1 3.65Å; G823-L827 PolarHBondContact O-N 2.96Å; G823-L827 VanDerWaalsContact O-N 3.1Å; C824-L827 PolarHBondContact O-N 3.33Å; V825-L827 VanDerWaalsContact C-N 3.32Å; V825-L827 PolarHBondContact O-N 2.68Å; L827-Q830 PolarHBondContact O-N 3.24Å; L827-Y831 PolarHBondContact O-N 3.25Å; L827-Y831 VanDerWaalsContact O-N 3.08Å; L827-W982 HydrophobicContact CD1-CE3 4.15Å; L827-W982 HydrophobicContact CD2-CE3 3.98Å; L827-W982 HydrophobicContact CG-CE3 3.93Å; L827-W982 HydrophobicContact CG-CZ3 4.26Å; L827-L985 HydrophobicContact CD1-CB 4.22Å; L827-L985 HydrophobicContact CD1-CD2 3.94Å; L827-L985 HydrophobicContact CD1-CG 4.02Å; L827-L986 HydrophobicContact CD1-CB 4.13Å; L827-L986 HydrophobicContact CD1-CD1 4.44Å
828	G	97.8	Very high	97.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61.9	-47.4	173.9	0	0	0	0	0	113	C824 V825 Y831 L832	C824-G828 PolarHBondContact O-N 3.01Å; V825-G828 PolarHBondContact O-N 2.62Å; G828-Y831 PolarHBondContact O-N 2.81Å; G828-L832 WeakPolarHBondContact O-CG 3.3Å; G828-L832 PolarHBondContact O-N 2.74Å; G828-L832 VanDerWaalsContact O-N 3.14Å
829	L	98.3	Very high	97.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.6	-40.7	176.4	-71	179.7	0	0	0	111.9	V825 Y831 L832 H833 Y839 L842 D898 W899	V825-L829 HydrophobicContact CG1-CD1 3.95Å; V825-L829 HydrophobicContact CG1-CG 4.14Å; V825-L829 WeakPolarHBondContact O-CB 3.18Å; V825-L829 WeakPolarHBondContact O-CG 3.4Å; V825-L829 PolarHBondContact O-N 3.01Å; L829-Y831 VanDerWaalsContact C-N 3.32Å; L829-Y831 PolarHBondContact O-N 3.22Å; L829-L832 PolarHBondContact O-N 3.04Å; L829-H833 WeakPolarHBondContact O-CB 3.4Å; L829-H833 PolarHBondContact O-N 3.11Å; L829-Y839 HydrophobicContact CD2-CG 4.39Å; L829-L842 HydrophobicContact CD1-CD2 4.31Å; L829-D898 HydrophobicContact CD1-CB 4.32Å; L829-D898 HydrophobicContact CD2-CB 4.18Å; L829-W899 HydrophobicContact CB-CH2 4.18Å; L829-W899 HydrophobicContact CB-CZ3 4.46Å; L829-W899 HydrophobicContact CD1-CE3 4.36Å; L829-W899 HydrophobicContact CD1-CZ3 4.1Å
830	Q	97.9	Very high	97.7	Very high	30 Å²	30	18.9 Å²	18.9	14%	0.14	9%	0.089	C	C	.	.	H	α-helix	trans	-54.6	-50.5	173.8	178.8	171.3	15.9	0	0	111.2	T826 L827 L832 H833 D834 A966 E967	T826-Q830 WeakPolarHBondContact O-CB 3.48Å; T826-Q830 PolarHBondContact O-N 3.08Å; L827-Q830 PolarHBondContact O-N 3.24Å; Q830-L832 VanDerWaalsContact C-N 3.3Å; Q830-L832 PolarHBondContact O-N 3.5Å; Q830-H833 PolarHBondContact O-N 3.36Å; Q830-D834 WeakPolarHBondContact O-CB 3.27Å; Q830-D834 VanDerWaalsContact O-CG 3.25Å; Q830-D834 PolarHBondContact O-N 3.02Å; Q830-A966 HydrophobicContact CB-CB 3.53Å; Q830-A966 HydrophobicContact CG-CB 3.74Å; Q830-E967 PolarHBondContact NE2-OE1 3.14Å
831	Y	97.4	Very high	97.5	Very high	33 Å²	33	19.3 Å²	19.3	13%	0.129	9%	0.092	C	C	.	.	H	α-helix	trans	-58.7	-43.3	179.1	177.5	-90.9	0	0	0	112.1	I770 V771 S774 H776 L779 L827 G828 L829 N835	I770-Y831 PolarHBondContact O-OH 2.86Å; V771-Y831 HydrophobicContact CG2-CE1 4.23Å; S774-Y831 VanDerWaalsContact CB-CE2 3.41Å; S774-Y831 WeakPolarHBondContact CB-OH 3.38Å; S774-Y831 WeakPolarHBondContact OG-CE2 3.32Å; S774-Y831 PolarHBondContact OG-OH 3.34Å; H776-Y831 HydrophobicContact CB-CD1 4.45Å; H776-Y831 HydrophobicContact CB-CG 4.33Å; H776-Y831 AromaticContact CD2-CD2 3.92Å; H776-Y831 AromaticContact CD2-CG 3.83Å; L779-Y831 HydrophobicContact CD1-CD1 3.44Å; L779-Y831 VanDerWaalsContact CD1-CD1 3.44Å; L779-Y831 HydrophobicContact CD1-CE1 4.05Å; L779-Y831 HydrophobicContact CD1-CG 4.25Å; L827-Y831 PolarHBondContact O-N 3.25Å; L827-Y831 VanDerWaalsContact O-N 3.08Å; G828-Y831 PolarHBondContact O-N 2.81Å; L829-Y831 VanDerWaalsContact C-N 3.32Å; L829-Y831 PolarHBondContact O-N 3.22Å; Y831-N835 WeakPolarHBondContact CE2-ND2 3.47Å; Y831-N835 VanDerWaalsContact CZ-ND2 3.28Å; Y831-N835 PolarHBondContact O-N 3.47Å; Y831-N835 VanDerWaalsContact O-N 3.15Å; Y831-N835 PolarHBondContact O-ND2 3.44Å
832	L	97.6	Very high	97.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63.7	-47.4	177.6	-67.4	175	0	0	0	111.2	V771 L779 G828 L829 Q830 D834 N835 K836 I837 Y839 F860	V771-L832 HydrophobicContact CG2-CD2 4.13Å; L779-L832 HydrophobicContact CD1-CD2 4Å; L779-L832 HydrophobicContact CD1-CG 4.16Å; L779-L832 HydrophobicContact CD2-CD1 4.35Å; L779-L832 HydrophobicContact CD2-CG 4.49Å; G828-L832 WeakPolarHBondContact O-CG 3.3Å; G828-L832 PolarHBondContact O-N 2.74Å; G828-L832 VanDerWaalsContact O-N 3.14Å; L829-L832 PolarHBondContact O-N 3.04Å; Q830-L832 VanDerWaalsContact C-N 3.3Å; Q830-L832 PolarHBondContact O-N 3.5Å; L832-D834 PolarHBondContact O-N 3.29Å; L832-N835 CarbonylContact O-C 3.6Å; L832-N835 VanDerWaalsContact O-C 3.31Å; L832-N835 WeakPolarHBondContact O-CA 3.21Å; L832-N835 PolarHBondContact O-N 2.8Å; L832-N835 VanDerWaalsContact O-N 3.11Å; L832-K836 PolarHBondContact O-N 2.93Å; L832-K836 VanDerWaalsContact O-N 3.12Å; L832-I837 CarbonylContact C-O 3.6Å; L832-I837 VanDerWaalsContact C-O 3.28Å; L832-I837 HydrophobicContact CB-CB 4.25Å; L832-I837 HydrophobicContact CB-CG2 4.5Å; L832-I837 HydrophobicContact CD2-CB 4.38Å; L832-I837 HydrophobicContact CD2-CD1 4.46Å; L832-I837 HydrophobicContact CD2-CG2 4.17Å; L832-I837 WeakPolarHBondContact O-CB 3.25Å; L832-I837 PolarHBondContact O-N 2.9Å; L832-Y839 HydrophobicContact CD1-CD2 4.05Å; L832-Y839 HydrophobicContact CD1-CG 4.36Å; L832-F860 HydrophobicContact CD1-CE1 4.29Å; L832-F860 HydrophobicContact CD2-CE1 4.24Å
833	H	98	Very high	97.2	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.009	10%	0.099	C	C	.	.	H	α-helix	trans	-64.4	-38.1	179.3	-72.9	-173.2	0	0	0	112.8	L829 Q830 N835 K836 I837 D898 W899 D965	L829-H833 WeakPolarHBondContact O-CB 3.4Å; L829-H833 PolarHBondContact O-N 3.11Å; Q830-H833 PolarHBondContact O-N 3.36Å; H833-N835 PolarHBondContact O-N 2.81Å; H833-K836 WeakPolarHBondContact O-CA 3.13Å; H833-K836 PolarHBondContact O-N 3.27Å; H833-I837 PolarHBondContact CD2-O 3.31Å; H833-D898 IonicContact NE2-OD2 2.77Å; H833-D898 PolarHBondContact NE2-OD2 3.36Å; H833-W899 AromaticContact CE1-CE2 3.77Å; H833-W899 AromaticContact CE1-CZ2 3.93Å; H833-W899 AromaticContact CE1-NE1 3.58Å; H833-W899 AromaticContact ND1-CE2 3.95Å; H833-W899 AromaticContact ND1-CZ2 3.79Å; H833-W899 AromaticContact ND1-NE1 3.78Å; H833-D965 WeakPolarHBondContact CB-OD2 3.37Å; H833-D965 IonicContact CE1-OD1 3.33Å; H833-D965 IonicContact CE1-OD2 2.68Å; H833-D965 IonicContact CG-OD2 3.3Å; H833-D965 VanDerWaalsContact ND1-CG 3.29Å; H833-D965 IonicContact ND1-OD1 3.11Å; H833-D965 PolarHBondContact ND1-OD1 3.37Å; H833-D965 IonicContact ND1-OD2 2.8Å; H833-D965 PolarHBondContact ND1-OD2 2.98Å
834	D	96.8	Very high	96.9	Very high	106 Å²	106	20.9 Å²	20.9	57%	0.567	10%	0.099	S	C	*	.	H	α-helix	trans	-63.3	-32.1	174.3	-74.2	-16.6	0	0	0	111.3	Q830 L832 K836	Q830-D834 WeakPolarHBondContact O-CB 3.27Å; Q830-D834 VanDerWaalsContact O-CG 3.25Å; Q830-D834 PolarHBondContact O-N 3.02Å; L832-D834 PolarHBondContact O-N 3.29Å; D834-K836 VanDerWaalsContact C-N 3.27Å
835	N	96.8	Very high	96.6	Very high	63 Å²	63	24.7 Å²	24.7	34%	0.337	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	11.3	171.2	-73	-82.5	0	0	0	113.5	I770 Y831 L832 H833 I837	I770-N835 HydrophobicContact CG2-CB 4Å; Y831-N835 WeakPolarHBondContact CE2-ND2 3.47Å; Y831-N835 VanDerWaalsContact CZ-ND2 3.28Å; Y831-N835 PolarHBondContact O-N 3.47Å; Y831-N835 VanDerWaalsContact O-N 3.15Å; Y831-N835 PolarHBondContact O-ND2 3.44Å; L832-N835 CarbonylContact O-C 3.6Å; L832-N835 VanDerWaalsContact O-C 3.31Å; L832-N835 WeakPolarHBondContact O-CA 3.21Å; L832-N835 PolarHBondContact O-N 2.8Å; L832-N835 VanDerWaalsContact O-N 3.11Å; H833-N835 PolarHBondContact O-N 2.81Å; N835-I837 VanDerWaalsContact C-N 3.34Å; N835-I837 HydrophobicContact CB-CD1 4.01Å; N835-I837 PolarHBondContact O-N 2.69Å
836	K	97.3	Very high	96.4	Very high	118 Å²	118	25.4 Å²	25.4	51%	0.513	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	43	180	-50.9	-179.2	-177	-177.3	0	112.7	L832 H833 D834 E865 N866 M867	L832-K836 PolarHBondContact O-N 2.93Å; L832-K836 VanDerWaalsContact O-N 3.12Å; H833-K836 WeakPolarHBondContact O-CA 3.13Å; H833-K836 PolarHBondContact O-N 3.27Å; D834-K836 VanDerWaalsContact C-N 3.27Å; K836-E865 CarbonylContact O-C 3.51Å; K836-N866 PolarHBondContact O-N 3.33Å; K836-M867 CarbonylContact C-O 3.42Å; K836-M867 WeakPolarHBondContact CA-O 3.49Å; K836-M867 PolarHBondContact O-N 2.68Å
837	I	97.1	Very high	96.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	124.2	178.1	-62.4	160.5	0	0	0	108.3	I767 I770 L832 H833 N835 C863 K864 E865	I767-I837 HydrophobicContact CD1-CG2 4.02Å; I767-I837 HydrophobicContact CG1-CD1 4.17Å; I767-I837 HydrophobicContact CG1-CG1 4.46Å; I767-I837 HydrophobicContact CG1-CG2 4.39Å; I767-I837 HydrophobicContact CG2-CD1 4.26Å; I767-I837 HydrophobicContact CG2-CG2 4.39Å; I770-I837 HydrophobicContact CB-CD1 4.5Å; I770-I837 HydrophobicContact CD1-CD1 4.1Å; I770-I837 HydrophobicContact CG2-CD1 4.16Å; L832-I837 CarbonylContact C-O 3.6Å; L832-I837 VanDerWaalsContact C-O 3.28Å; L832-I837 HydrophobicContact CB-CB 4.25Å; L832-I837 HydrophobicContact CB-CG2 4.5Å; L832-I837 HydrophobicContact CD2-CB 4.38Å; L832-I837 HydrophobicContact CD2-CD1 4.46Å; L832-I837 HydrophobicContact CD2-CG2 4.17Å; L832-I837 WeakPolarHBondContact O-CB 3.25Å; L832-I837 PolarHBondContact O-N 2.9Å; H833-I837 PolarHBondContact CD2-O 3.31Å; N835-I837 VanDerWaalsContact C-N 3.34Å; N835-I837 HydrophobicContact CB-CD1 4.01Å; N835-I837 PolarHBondContact O-N 2.69Å; I837-C863 HydrophobicContact CG2-CB 3.99Å; I837-K864 WeakPolarHBondContact CA-O 3.43Å; I837-E865 HydrophobicContact CG1-CB 4.49Å
838	M	97	Very high	96.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	140.5	167.3	-70.5	173.2	56.9	0	0	110.3	R840 C863 K864 M867 T873 Y893 T894 R895 V897 D898	M838-R840 HydrophobicContact CB-CG 3.89Å; M838-R840 HydrophobicContact CE-CG 3.9Å; M838-C863 CarbonylContact O-C 3.55Å; M838-C863 WeakPolarHBondContact O-CA 3.33Å; M838-C863 WeakPolarHBondContact O-CB 3.47Å; M838-K864 PolarHBondContact N-O 2.9Å; M838-K864 PolarHBondContact O-N 3.41Å; M838-M867 HydrophobicContact CB-CB 4.33Å; M838-M867 HydrophobicContact CB-CG 4.48Å; M838-M867 HydrophobicContact CG-CB 3.52Å; M838-M867 HydrophobicContact CG-CG 4Å; M838-M867 HydrophobicContact SD-CB 3.62Å; M838-M867 HydrophobicContact SD-CE 3.34Å; M838-M867 WeakPolarHBondContact SD-CE 3.42Å; M838-M867 HydrophobicContact SD-CG 3.69Å; M838-M867 HydrophobicContact SD-SD 4.31Å; M838-T873 HydrophobicContact CE-CG2 4.5Å; M838-Y893 HydrophobicContact CE-CD2 3.83Å; M838-Y893 HydrophobicContact CE-CE2 3.67Å; M838-T894 VanDerWaalsContact CE-C 3.41Å; M838-T894 WeakPolarHBondContact CE-O 3.44Å; M838-T894 VanDerWaalsContact SD-C 3.59Å; M838-R895 HydrophobicContact CG-CB 3.66Å; M838-R895 HydrophobicContact SD-CB 4.11Å; M838-R895 PolarHBondContact SD-N 3.15Å; M838-R895 VanDerWaalsContact SD-N 3.37Å; M838-V897 HydrophobicContact CE-CG2 3.44Å; M838-V897 VanDerWaalsContact CE-CG2 3.44Å; M838-D898 WeakPolarHBondContact CA-OD2 3.44Å
839	Y	97.3	Very high	96.3	Very high	1 Å²	1	26.7 Å²	26.7	0%	0.004	13%	0.13	C	C	.	.			trans	-84.8	-51.6	-177.3	-175.9	-112.2	0	0	0	113	L829 L832 D841 L842 N846 I857 A858 D859 F860 L862 C863 D898	L829-Y839 HydrophobicContact CD2-CG 4.39Å; L832-Y839 HydrophobicContact CD1-CD2 4.05Å; L832-Y839 HydrophobicContact CD1-CG 4.36Å; Y839-D841 VanDerWaalsContact C-N 3.28Å; Y839-D841 HydrophobicContact CE1-CB 4.48Å; Y839-D841 VanDerWaalsContact CE1-O 3.28Å; Y839-D841 WeakPolarHBondContact CE1-O 3.35Å; Y839-D841 PolarHBondContact O-N 2.9Å; Y839-L842 HydrophobicContact CD1-CB 4.06Å; Y839-L842 HydrophobicContact CD1-CD1 4.1Å; Y839-L842 HydrophobicContact CE1-CB 4.18Å; Y839-L842 HydrophobicContact CE1-CD1 3.99Å; Y839-N846 VanDerWaalsContact OH-CB 3.3Å; Y839-N846 WeakPolarHBondContact OH-CB 3.48Å; Y839-N846 PolarHBondContact OH-ND2 3.46Å; Y839-I857 HydrophobicContact CD2-CG2 4.12Å; Y839-I857 HydrophobicContact CE1-CG2 3.97Å; Y839-I857 HydrophobicContact CE2-CG2 3.46Å; Y839-I857 VanDerWaalsContact CE2-CG2 3.46Å; Y839-A858 PolarHBondContact OH-O 2.91Å; Y839-D859 WeakPolarHBondContact CE2-O 3.36Å; Y839-D859 PolarHBondContact OH-O 3.26Å; Y839-F860 HydrophobicContact CD2-CD1 4.17Å; Y839-F860 HydrophobicContact CD2-CE1 4.43Å; Y839-F860 HydrophobicContact CE2-CD1 4.07Å; Y839-F860 HydrophobicContact CE2-CE1 4.31Å; Y839-L862 CarbonylContact O-C 3.57Å; Y839-C863 WeakPolarHBondContact CD2-SG 3.35Å; Y839-D898 PolarHBondContact N-OD2 3.44Å
840	R	96.2	Very high	96.1	Very high	30 Å²	30	27.2 Å²	27.2	11%	0.113	13%	0.133	C	C	.	.			trans	66.5	1.6	172	-50.8	-171.8	-64.1	173.5	-1	118.3	M838 L862 C863 C877 Y893 V897 D898	M838-R840 HydrophobicContact CB-CG 3.89Å; M838-R840 HydrophobicContact CE-CG 3.9Å; R840-L862 PolarHBondContact NE-O 3.36Å; R840-L862 PolarHBondContact NH2-O 2.98Å; R840-C863 PolarHBondContact NH2-O 3.07Å; R840-C877 VanDerWaalsContact CZ-SG 3.54Å; R840-Y893 PolarHBondContact NH1-OH 3.16Å; R840-V897 HydrophobicContact CG-CG2 4.32Å; R840-D898 WeakPolarHBondContact CA-OD1 3.35Å; R840-D898 PolarHBondContact N-OD1 2.82Å
841	D	94.9	Very high	96	Very high	13 Å²	13	33.5 Å²	33.5	7%	0.07	16%	0.155	C	C	.	.			trans	-136.1	43.6	179.5	-161.1	32.7	0	0	0	112.7	Y839 K843 N846 L862	Y839-D841 VanDerWaalsContact C-N 3.28Å; Y839-D841 HydrophobicContact CE1-CB 4.48Å; Y839-D841 VanDerWaalsContact CE1-O 3.28Å; Y839-D841 WeakPolarHBondContact CE1-O 3.35Å; Y839-D841 PolarHBondContact O-N 2.9Å; D841-K843 PolarHBondContact O-N 3.47Å; D841-K843 IonicContact OD1-NZ 3.97Å; D841-K843 PolarHBondContact OD1-NZ 3.34Å; D841-K843 IonicContact OD2-NZ 3.87Å; D841-K843 PolarHBondContact OD2-NZ 2.83Å; D841-N846 VanDerWaalsContact CG-ND2 3.34Å; D841-N846 PolarHBondContact O-ND2 3.46Å; D841-N846 PolarHBondContact OD2-ND2 2.95Å; D841-L862 HydrophobicContact CB-CB 4.04Å; D841-L862 HydrophobicContact CB-CD1 3.81Å; D841-L862 HydrophobicContact CB-CG 4.35Å
842	L	95.4	Very high	95.9	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.026	17%	0.17	C	C	.	.			trans	-75.9	115	179.8	-162.9	75	0	0	0	111.2	V825 L829 Y839 L847 F882 L902 L905	V825-L842 HydrophobicContact CG1-CD1 3.78Å; V825-L842 HydrophobicContact CG1-CD2 3.95Å; V825-L842 HydrophobicContact CG1-CG 4.49Å; L829-L842 HydrophobicContact CD1-CD2 4.31Å; Y839-L842 HydrophobicContact CD1-CB 4.06Å; Y839-L842 HydrophobicContact CD1-CD1 4.1Å; Y839-L842 HydrophobicContact CE1-CB 4.18Å; Y839-L842 HydrophobicContact CE1-CD1 3.99Å; L842-L847 HydrophobicContact CD1-CD2 4.05Å; L842-F882 WeakPolarHBondContact O-CD1 3.02Å; L842-F882 WeakPolarHBondContact O-CG 3.26Å; L842-L902 HydrophobicContact CD2-CB 4.15Å; L842-L905 HydrophobicContact CD2-CB 4.44Å; L842-L905 HydrophobicContact CD2-CD2 4Å; L842-L905 HydrophobicContact CG-CD2 4.19Å
843	K	93	Very high	95.8	Very high	30 Å²	30	36.4 Å²	36.4	13%	0.13	17%	0.17	C	C	.	.	S	Bend	trans	-158.9	164.4	178.5	62.3	-171	172.6	-139.8	0	110.1	D841 D845 N846 L847 T879 F882	D841-K843 PolarHBondContact O-N 3.47Å; D841-K843 IonicContact OD1-NZ 3.97Å; D841-K843 PolarHBondContact OD1-NZ 3.34Å; D841-K843 IonicContact OD2-NZ 3.87Å; D841-K843 PolarHBondContact OD2-NZ 2.83Å; K843-D845 VanDerWaalsContact C-N 3.3Å; K843-D845 HydrophobicContact CG-CB 4.37Å; K843-D845 PolarHBondContact O-N 3.05Å; K843-N846 WeakPolarHBondContact CE-ND2 3.46Å; K843-N846 WeakPolarHBondContact CE-OD1 3.31Å; K843-N846 HydrophobicContact CG-CB 4.23Å; K843-N846 PolarHBondContact O-N 3.4Å; K843-L847 WeakPolarHBondContact O-CG 3.13Å; K843-T879 WeakPolarHBondContact CD-OG1 3.48Å; K843-T879 PolarHBondContact NZ-OG1 2.82Å; K843-T879 VanDerWaalsContact NZ-OG1 3.1Å; K843-F882 HydrophobicContact CB-CD1 4.26Å; K843-F882 HydrophobicContact CB-CD2 4.03Å; K843-F882 HydrophobicContact CB-CE1 3.95Å; K843-F882 HydrophobicContact CB-CE2 3.73Å; K843-F882 HydrophobicContact CB-CG 4.3Å; K843-F882 HydrophobicContact CB-CZ 3.68Å
844	L	93	Very high	95.8	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-59.4	-36.4	-176.1	-70.2	172.6	0	0	0	113.7	L804 M805 I808 N846 L847 L905 E908 M909	L804-L844 HydrophobicContact CB-CB 4.33Å; L804-L844 HydrophobicContact CB-CD2 3.79Å; L804-L844 HydrophobicContact CD1-CD2 4.13Å; L804-L844 PolarHBondContact N-O 2.97Å; M805-L844 HydrophobicContact CB-CB 3.92Å; M805-L844 HydrophobicContact SD-CB 4.19Å; M805-L844 HydrophobicContact SD-CD1 4Å; I808-L844 HydrophobicContact CB-CD1 4.44Å; I808-L844 HydrophobicContact CD1-CD1 3.93Å; I808-L844 HydrophobicContact CG2-CD1 3.85Å; L844-N846 PolarHBondContact O-N 3.03Å; L844-L847 PolarHBondContact O-N 3.32Å; L844-L905 HydrophobicContact CD2-CD1 3.6Å; L844-L905 HydrophobicContact CG-CD1 3.92Å; L844-E908 HydrophobicContact CD1-CG 3.75Å; L844-E908 WeakPolarHBondContact CD1-OE2 3.42Å; L844-E908 WeakPolarHBondContact CG-OE2 3.3Å; L844-M909 HydrophobicContact CD2-CG 3.82Å
845	D	91	Very high	95.8	Very high	80 Å²	80	32.1 Å²	32.1	43%	0.428	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-64.4	-26.3	-178.7	-46.4	-97.2	0	0	0	113.4	M805 K843 L847	M805-D845 WeakPolarHBondContact CG-OD1 3.46Å; K843-D845 VanDerWaalsContact C-N 3.3Å; K843-D845 HydrophobicContact CG-CB 4.37Å; K843-D845 PolarHBondContact O-N 3.05Å; D845-L847 VanDerWaalsContact C-N 3.34Å
846	N	94.9	Very high	95.8	Very high	14 Å²	14	29.6 Å²	29.6	8%	0.075	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-91.5	3.5	-178.4	-74.7	-4.3	0	0	0	112.9	Y839 D841 K843 L844 A858	Y839-N846 VanDerWaalsContact OH-CB 3.3Å; Y839-N846 WeakPolarHBondContact OH-CB 3.48Å; Y839-N846 PolarHBondContact OH-ND2 3.46Å; D841-N846 VanDerWaalsContact CG-ND2 3.34Å; D841-N846 PolarHBondContact O-ND2 3.46Å; D841-N846 PolarHBondContact OD2-ND2 2.95Å; K843-N846 WeakPolarHBondContact CE-ND2 3.46Å; K843-N846 WeakPolarHBondContact CE-OD1 3.31Å; K843-N846 HydrophobicContact CG-CB 4.23Å; K843-N846 PolarHBondContact O-N 3.4Å; L844-N846 PolarHBondContact O-N 3.03Å; N846-A858 PolarHBondContact O-N 2.78Å
847	L	97.2	Very high	95.9	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	106.6	-177.5	-56.8	179	0	0	0	109.3	D803 L804 V825 L842 K843 L844 D845 L855 I857 L905	D803-L847 CarbonylContact C-O 3.54Å; D803-L847 VanDerWaalsContact CA-O 3.31Å; D803-L847 WeakPolarHBondContact CA-O 3.49Å; L804-L847 HydrophobicContact CB-CB 4.47Å; L804-L847 HydrophobicContact CD1-CB 3.9Å; L804-L847 HydrophobicContact CD1-CD1 4.1Å; L804-L847 HydrophobicContact CG-CB 4.04Å; L804-L847 PolarHBondContact N-O 3.41Å; V825-L847 HydrophobicContact CG2-CD1 3.93Å; V825-L847 HydrophobicContact CG2-CD2 4.09Å; L842-L847 HydrophobicContact CD1-CD2 4.05Å; K843-L847 WeakPolarHBondContact O-CG 3.13Å; L844-L847 PolarHBondContact O-N 3.32Å; D845-L847 VanDerWaalsContact C-N 3.34Å; L847-L855 HydrophobicContact CB-CD1 4.12Å; L847-L855 HydrophobicContact CB-CG 4.26Å; L847-L855 HydrophobicContact CD1-CD1 4.22Å; L847-L855 HydrophobicContact CD2-CD2 4.2Å; L847-I857 HydrophobicContact CD2-CB 4.27Å; L847-I857 HydrophobicContact CD2-CG1 3.81Å; L847-I857 HydrophobicContact CD2-CG2 4.3Å; L847-L905 HydrophobicContact CD1-CD1 3.69Å; L847-L905 HydrophobicContact CD1-CD2 3.52Å; L847-L905 HydrophobicContact CD1-CG 4.24Å
848	L	97.2	Very high	95.7	Very high	35 Å²	35	24.6 Å²	24.6	18%	0.183	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	155.6	-176.8	-53.2	-178.6	0	0	0	111.4	A799 G802 D803 L855 K856 A858	A799-L848 HydrophobicContact CB-CB 3.62Å; A799-L848 HydrophobicContact CB-CD1 3.87Å; A799-L848 HydrophobicContact CB-CG 4.39Å; G802-L848 CarbonylContact O-C 3.45Å; G802-L848 WeakPolarHBondContact O-CA 3.14Å; D803-L848 HydrophobicContact CB-CD2 3.68Å; L848-L855 CarbonylContact O-C 3.59Å; L848-L855 VanDerWaalsContact O-CA 3.32Å; L848-L855 WeakPolarHBondContact O-CA 3.49Å; L848-K856 PolarHBondContact N-O 3.14Å; L848-K856 PolarHBondContact O-N 3.09Å; L848-A858 HydrophobicContact CD1-CB 3.67Å; L848-A858 HydrophobicContact CG-CB 3.85Å
849	L	96.8	Very high	95.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	135.9	169.7	-63.8	-177	0	0	0	110.7	A799 G801 G802 L804 Y821 Y854 L855 F994	A799-L849 CarbonylContact C-O 3.48Å; G801-L849 WeakPolarHBondContact CA-O 3.29Å; G801-L849 PolarHBondContact N-O 3.32Å; G802-L849 PolarHBondContact O-N 3.2Å; L804-L849 HydrophobicContact CD2-CD1 3.98Å; L804-L849 HydrophobicContact CD2-CD2 3.84Å; L804-L849 HydrophobicContact CD2-CG 3.87Å; Y821-L849 HydrophobicContact CD1-CD2 4.37Å; Y821-L849 HydrophobicContact CE1-CD2 3.68Å; L849-Y854 WeakPolarHBondContact CA-O 3.39Å; L849-L855 HydrophobicContact CD2-CB 4.23Å; L849-F994 HydrophobicContact CD1-CD1 3.92Å; L849-F994 HydrophobicContact CD1-CE1 3.99Å
850	D	95.3	Very high	95.2	Very high	10 Å²	10	27.3 Å²	27.3	5%	0.053	13%	0.127	C	C	.	.			trans	-76.9	-179.4	167.2	71.1	15.3	0	0	0	111.7	E852 G853 Y854 K856 K988 P996	D850-E852 PolarHBondContact O-N 3.44Å; D850-E852 PolarHBondContact OD1-N 3.18Å; D850-G853 PolarHBondContact O-N 2.87Å; D850-G853 PolarHBondContact OD1-N 3.41Å; D850-Y854 PolarHBondContact N-O 3.19Å; D850-Y854 PolarHBondContact OD1-N 3.16Å; D850-Y854 WeakPolarHBondContact OD2-CB 3.47Å; D850-K856 HydrophobicContact CB-CD 4.42Å; D850-K988 IonicContact OD2-NZ 2.73Å; D850-K988 PolarHBondContact OD2-NZ 2.84Å; D850-P996 WeakPolarHBondContact O-CG 3.48Å
851	R	95	Very high	94.8	Very high	162 Å²	162	27.1 Å²	27.1	61%	0.611	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-32.5	-179.1	175.3	-176.8	-179.4	-161.4	0.2	112.7	M800 G853 I998	M800-R851 HydrophobicContact SD-CB 4.23Å; R851-G853 VanDerWaalsContact C-N 3.35Å; R851-I998 HydrophobicContact CB-CD1 3.96Å; R851-I998 HydrophobicContact CG-CD1 3.88Å
852	E	95.7	Very high	94.6	Very high	95 Å²	95	29.3 Å²	29.3	44%	0.444	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-11.8	-177.9	-63.8	74.9	-136.8	0	0	112.5	D850 Y854 P992	D850-E852 PolarHBondContact O-N 3.44Å; D850-E852 PolarHBondContact OD1-N 3.18Å; E852-Y854 HydrophobicContact CB-CD2 3.88Å; E852-Y854 HydrophobicContact CB-CE2 4.04Å; E852-P992 WeakPolarHBondContact O-CG 3.25Å
853	G	95.9	Very high	94.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	97	10	179.8	0	0	0	0	0	114.5	D850 R851	D850-G853 PolarHBondContact O-N 2.87Å; D850-G853 PolarHBondContact OD1-N 3.41Å; R851-G853 VanDerWaalsContact C-N 3.35Å
854	Y	97.5	Very high	94.6	Very high	17 Å²	17	32.2 Å²	32.2	7%	0.067	16%	0.159	C	C	.	.			trans	-79.1	144.7	170.9	-64.6	-84.6	0	0	0	110.9	F778 F820 L849 D850 E852 K988 I990 P992	F778-Y854 AromaticContact CE1-CD1 3.83Å; F778-Y854 HydrophobicContact CE1-CD1 3.83Å; F778-Y854 HydrophobicContact CE1-CG 4.33Å; F778-Y854 HydrophobicContact CZ-CD1 4.43Å; F820-Y854 HydrophobicContact CE1-CD1 4.27Å; F820-Y854 HydrophobicContact CE2-CE1 4.46Å; F820-Y854 AromaticContact CZ-CD1 3.71Å; F820-Y854 HydrophobicContact CZ-CD1 3.71Å; F820-Y854 AromaticContact CZ-CE1 3.7Å; F820-Y854 HydrophobicContact CZ-CE1 3.7Å; L849-Y854 WeakPolarHBondContact CA-O 3.39Å; D850-Y854 PolarHBondContact N-O 3.19Å; D850-Y854 PolarHBondContact OD1-N 3.16Å; D850-Y854 WeakPolarHBondContact OD2-CB 3.47Å; E852-Y854 HydrophobicContact CB-CD2 3.88Å; E852-Y854 HydrophobicContact CB-CE2 4.04Å; Y854-K988 HydrophobicContact CD1-CB 4.49Å; Y854-K988 HydrophobicContact CD1-CD 4.39Å; Y854-K988 HydrophobicContact CD1-CG 4Å; Y854-K988 HydrophobicContact CD2-CB 4.46Å; Y854-K988 HydrophobicContact CD2-CD 3.7Å; Y854-K988 HydrophobicContact CD2-CG 4.12Å; Y854-K988 HydrophobicContact CE1-CB 3.9Å; Y854-K988 HydrophobicContact CE1-CG 3.9Å; Y854-K988 HydrophobicContact CE2-CB 3.86Å; Y854-K988 HydrophobicContact CE2-CD 3.88Å; Y854-K988 HydrophobicContact CE2-CG 4.02Å; Y854-K988 HydrophobicContact CG-CD 3.99Å; Y854-K988 HydrophobicContact CG-CG 4.11Å; Y854-K988 VanDerWaalsContact OH-C 3.31Å; Y854-K988 PolarHBondContact OH-O 3.47Å; Y854-I990 VanDerWaalsContact CE1-O 3.3Å; Y854-I990 WeakPolarHBondContact CE1-O 3.35Å; Y854-I990 PolarHBondContact OH-O 2.62Å; Y854-P992 HydrophobicContact CD1-CG 3.97Å; Y854-P992 HydrophobicContact CD2-CG 3.8Å; Y854-P992 HydrophobicContact CE1-CG 3.8Å; Y854-P992 HydrophobicContact CE2-CG 3.63Å; Y854-P992 HydrophobicContact CG-CG 3.96Å
855	L	97.8	Very high	94.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	138.4	-179.3	179.6	157.3	0	0	0	111.6	F778 L804 Y821 C824 V825 L847 L848 L849 I857	F778-L855 VanDerWaalsContact CA-O 3.32Å; F778-L855 WeakPolarHBondContact CA-O 3.19Å; F778-L855 WeakPolarHBondContact CB-O 3.48Å; F778-L855 WeakPolarHBondContact CD1-O 3.43Å; L804-L855 HydrophobicContact CD1-CD1 3.69Å; Y821-L855 HydrophobicContact CD1-CB 4.07Å; Y821-L855 HydrophobicContact CD1-CD1 4.1Å; Y821-L855 HydrophobicContact CG-CD1 4.03Å; C824-L855 HydrophobicContact CB-CB 3.87Å; C824-L855 HydrophobicContact CB-CD2 4.07Å; C824-L855 HydrophobicContact CB-CG 4.46Å; V825-L855 HydrophobicContact CG2-CD1 3.85Å; V825-L855 HydrophobicContact CG2-CD2 3.68Å; V825-L855 HydrophobicContact CG2-CG 4.47Å; L847-L855 HydrophobicContact CB-CD1 4.12Å; L847-L855 HydrophobicContact CB-CG 4.26Å; L847-L855 HydrophobicContact CD1-CD1 4.22Å; L847-L855 HydrophobicContact CD2-CD2 4.2Å; L848-L855 CarbonylContact O-C 3.59Å; L848-L855 VanDerWaalsContact O-CA 3.32Å; L848-L855 WeakPolarHBondContact O-CA 3.49Å; L849-L855 HydrophobicContact CD2-CB 4.23Å; L855-I857 HydrophobicContact CD2-CG1 4.21Å
856	K	97.1	Very high	94.9	Very high	10 Å²	10	36.1 Å²	36.1	4%	0.043	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	125.7	171.3	-72.7	177	170.7	-75.3	0	110.2	P777 F778 E797 L848 D850 A858	P777-K856 PolarHBondContact O-NZ 3.41Å; P777-K856 VanDerWaalsContact O-NZ 3.1Å; F778-K856 CarbonylContact O-C 3.31Å; F778-K856 WeakPolarHBondContact O-CA 3.42Å; E797-K856 WeakPolarHBondContact OE1-CE 3.34Å; E797-K856 IonicContact OE1-NZ 3.54Å; E797-K856 PolarHBondContact OE1-NZ 3.5Å; E797-K856 WeakPolarHBondContact OE2-CE 3.48Å; E797-K856 IonicContact OE2-NZ 3.39Å; E797-K856 PolarHBondContact OE2-NZ 3.5Å; L848-K856 PolarHBondContact N-O 3.14Å; L848-K856 PolarHBondContact O-N 3.09Å; D850-K856 HydrophobicContact CB-CD 4.42Å; K856-A858 PolarHBondContact O-N 3.35Å
857	I	97.8	Very high	94.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	127.6	169.5	-52.6	179.3	0	0	0	108	F778 L779 T780 V825 Y839 L847 L855	F778-I857 PolarHBondContact O-N 3.14Å; L779-I857 HydrophobicContact CD2-CB 3.76Å; L779-I857 HydrophobicContact CD2-CD1 3.86Å; L779-I857 HydrophobicContact CD2-CG1 4.08Å; T780-I857 WeakPolarHBondContact CB-O 3.39Å; T780-I857 PolarHBondContact N-O 3.2Å; T780-I857 PolarHBondContact OG1-O 3.37Å; V825-I857 HydrophobicContact CG1-CD1 4.4Å; Y839-I857 HydrophobicContact CD2-CG2 4.12Å; Y839-I857 HydrophobicContact CE1-CG2 3.97Å; Y839-I857 HydrophobicContact CE2-CG2 3.46Å; Y839-I857 VanDerWaalsContact CE2-CG2 3.46Å; L847-I857 HydrophobicContact CD2-CB 4.27Å; L847-I857 HydrophobicContact CD2-CG1 3.81Å; L847-I857 HydrophobicContact CD2-CG2 4.3Å; L855-I857 HydrophobicContact CD2-CG1 4.21Å
858	A	94.1	Very high	94.8	Very high	13 Å²	13	36 Å²	36	11%	0.107	18%	0.179	C	C	.	.			trans	-113.9	175.5	177.3	0	0	0	0	0	111.1	Y839 N846 L848 K856	Y839-A858 PolarHBondContact OH-O 2.91Å; N846-A858 PolarHBondContact O-N 2.78Å; L848-A858 HydrophobicContact CD1-CB 3.67Å; L848-A858 HydrophobicContact CG-CB 3.85Å; K856-A858 PolarHBondContact O-N 3.35Å
859	D	90.5	Very high	94.7	Very high	58 Å²	58	38 Å²	38	31%	0.31	19%	0.187	S	C	.	.			trans	52.1	93.9	177.4	-157.1	-3.2	0	0	0	116.1	K745 Y839 G861	K745-D859 IonicContact NZ-OD1 3.73Å; K745-D859 PolarHBondContact NZ-OD1 2.78Å; K745-D859 IonicContact NZ-OD2 2.66Å; Y839-D859 WeakPolarHBondContact CE2-O 3.36Å; Y839-D859 PolarHBondContact OH-O 3.26Å; D859-G861 PolarHBondContact OD1-N 2.89Å
860	F	92.4	Very high	94.4	Very high	1 Å²	1	43 Å²	43	0%	0.004	21%	0.214	C	C	.	.			trans	-94.1	12.6	177.7	-57.7	-80.4	0	0	0	113.1	E764 I767 F768 V771 L779 L832 Y839 L862 C863	E764-F860 HydrophobicContact CG-CB 4.2Å; I767-F860 HydrophobicContact CG2-CB 4.02Å; I767-F860 HydrophobicContact CG2-CD1 4.06Å; I767-F860 HydrophobicContact CG2-CG 4.05Å; F768-F860 AromaticContact CD1-CD2 3.9Å; F768-F860 HydrophobicContact CD1-CD2 3.9Å; F768-F860 AromaticContact CD1-CE2 3.98Å; F768-F860 HydrophobicContact CD1-CE2 3.98Å; F768-F860 HydrophobicContact CD2-CD2 4.45Å; F768-F860 AromaticContact CE1-CD2 3.48Å; F768-F860 HydrophobicContact CE1-CD2 3.48Å; F768-F860 VanDerWaalsContact CE1-CD2 3.48Å; F768-F860 AromaticContact CE1-CE2 3.53Å; F768-F860 HydrophobicContact CE1-CE2 3.53Å; F768-F860 HydrophobicContact CE2-CD2 4.05Å; F768-F860 HydrophobicContact CG-CD2 4.39Å; F768-F860 AromaticContact CZ-CD2 3.56Å; F768-F860 HydrophobicContact CZ-CD2 3.56Å; F768-F860 HydrophobicContact CZ-CE2 4.05Å; V771-F860 HydrophobicContact CG2-CZ 4.42Å; L779-F860 HydrophobicContact CB-CZ 4.22Å; L779-F860 HydrophobicContact CD2-CE1 4.28Å; L779-F860 HydrophobicContact CD2-CZ 4.24Å; L832-F860 HydrophobicContact CD1-CE1 4.29Å; L832-F860 HydrophobicContact CD2-CE1 4.24Å; Y839-F860 HydrophobicContact CD2-CD1 4.17Å; Y839-F860 HydrophobicContact CD2-CE1 4.43Å; Y839-F860 HydrophobicContact CE2-CD1 4.07Å; Y839-F860 HydrophobicContact CE2-CE1 4.31Å; F860-L862 PolarHBondContact O-N 3.5Å; F860-L862 VanDerWaalsContact O-N 3.16Å; F860-C863 VanDerWaalsContact CA-SG 3.6Å; F860-C863 HydrophobicContact CB-CB 4.38Å; F860-C863 VanDerWaalsContact O-CB 3.28Å; F860-C863 WeakPolarHBondContact O-CB 3.2Å; F860-C863 PolarHBondContact O-N 2.73Å
861	G	89.1	Confident	94.5	Very high	25 Å²	25	45.9 Å²	45.9	26%	0.258	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.3	-173.8	0	0	0	0	0	115.3	D859	D859-G861 PolarHBondContact OD1-N 2.89Å
862	L	89.5	Confident	94.5	Very high	59 Å²	59	45.4 Å²	45.4	31%	0.309	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	3.7	174.7	-66.3	-171.4	0	0	0	113.8	Y839 R840 D841 F860 C877	Y839-L862 CarbonylContact O-C 3.57Å; R840-L862 PolarHBondContact NE-O 3.36Å; R840-L862 PolarHBondContact NH2-O 2.98Å; D841-L862 HydrophobicContact CB-CB 4.04Å; D841-L862 HydrophobicContact CB-CD1 3.81Å; D841-L862 HydrophobicContact CB-CG 4.35Å; F860-L862 PolarHBondContact O-N 3.5Å; F860-L862 VanDerWaalsContact O-N 3.16Å; L862-C877 HydrophobicContact CD1-CB 4.45Å; L862-C877 HydrophobicContact CD2-CB 4.24Å
863	C	95.3	Very high	94.3	Very high	11 Å²	11	41.4 Å²	41.4	7%	0.074	21%	0.209	C	C	.	.			trans	-65.5	160.1	179.1	-68	0	0	0	0	112.4	I767 I837 M838 Y839 R840 F860	I767-C863 HydrophobicContact CD1-CB 3.37Å; I837-C863 HydrophobicContact CG2-CB 3.99Å; M838-C863 CarbonylContact O-C 3.55Å; M838-C863 WeakPolarHBondContact O-CA 3.33Å; M838-C863 WeakPolarHBondContact O-CB 3.47Å; Y839-C863 WeakPolarHBondContact CD2-SG 3.35Å; R840-C863 PolarHBondContact NH2-O 3.07Å; F860-C863 VanDerWaalsContact CA-SG 3.6Å; F860-C863 HydrophobicContact CB-CB 4.38Å; F860-C863 VanDerWaalsContact O-CB 3.28Å; F860-C863 WeakPolarHBondContact O-CB 3.2Å; F860-C863 PolarHBondContact O-N 2.73Å
864	K	94.3	Very high	94.1	Very high	86 Å²	86	44.9 Å²	44.9	37%	0.374	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	113.2	175.4	-170.3	67.4	-178.6	172.8	0	110.3	I837 M838 M867	I837-K864 WeakPolarHBondContact CA-O 3.43Å; M838-K864 PolarHBondContact N-O 2.9Å; M838-K864 PolarHBondContact O-N 3.41Å; K864-M867 HydrophobicContact CB-CG 3.97Å; K864-M867 HydrophobicContact CG-CG 3.65Å; K864-M867 HydrophobicContact CG-SD 4.09Å; K864-M867 WeakPolarHBondContact O-CG 3.46Å
865	E	94.4	Very high	93.7	Very high	43 Å²	43	47.3 Å²	47.3	20%	0.201	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	163.6	170.7	62.2	-178.4	-178.8	0	0	112.2	R766 K836 I837	R766-E865 IonicContact CZ-OE1 3.76Å; R766-E865 IonicContact NE-OE1 2.81Å; R766-E865 PolarHBondContact NE-OE1 3.17Å; R766-E865 IonicContact NE-OE2 2.81Å; R766-E865 PolarHBondContact NE-OE2 2.8Å; R766-E865 IonicContact NH2-OE1 2.8Å; R766-E865 PolarHBondContact NH2-OE1 2.9Å; K836-E865 CarbonylContact O-C 3.51Å; I837-E865 HydrophobicContact CG1-CB 4.49Å
866	N	94.9	Very high	93.2	Very high	120 Å²	120	49.9 Å²	49.9	64%	0.642	26%	0.261	S	S	*	.	S	Bend	trans	62.3	38.8	-178.6	-54.4	-54.8	0	0	0	114.1	K836	K836-N866 PolarHBondContact O-N 3.33Å
867	M	95.4	Very high	92.7	Very high	7 Å²	7	50.4 Å²	50.4	3%	0.034	27%	0.266	C	S	.	.			trans	-120.7	75.1	-180	-63.6	-56.4	-56.7	0	0	110.8	K836 M838 K864 D871 T873	K836-M867 CarbonylContact C-O 3.42Å; K836-M867 WeakPolarHBondContact CA-O 3.49Å; K836-M867 PolarHBondContact O-N 2.68Å; M838-M867 HydrophobicContact CB-CB 4.33Å; M838-M867 HydrophobicContact CB-CG 4.48Å; M838-M867 HydrophobicContact CG-CB 3.52Å; M838-M867 HydrophobicContact CG-CG 4Å; M838-M867 HydrophobicContact SD-CB 3.62Å; M838-M867 HydrophobicContact SD-CE 3.34Å; M838-M867 WeakPolarHBondContact SD-CE 3.42Å; M838-M867 HydrophobicContact SD-CG 3.69Å; M838-M867 HydrophobicContact SD-SD 4.31Å; K864-M867 HydrophobicContact CB-CG 3.97Å; K864-M867 HydrophobicContact CG-CG 3.65Å; K864-M867 HydrophobicContact CG-SD 4.09Å; K864-M867 WeakPolarHBondContact O-CG 3.46Å; M867-D871 VanDerWaalsContact CE-C 3.47Å; M867-D871 HydrophobicContact CE-CB 4.03Å; M867-D871 VanDerWaalsContact CE-O 3.26Å; M867-D871 WeakPolarHBondContact CE-O 3.46Å; M867-D871 HydrophobicContact SD-CB 4.33Å; M867-T873 HydrophobicContact CE-CG2 3.93Å; M867-T873 HydrophobicContact SD-CG2 4.43Å
868	G	94.7	Very high	92.2	Very high	5 Å²	5	51.6 Å²	51.6	5%	0.052	28%	0.278	C	S	.	.			trans	-78.3	-164.1	172.8	0	0	0	0	0	113.2	D871	G868-D871 WeakPolarHBondContact CA-OD2 3.48Å; G868-D871 PolarHBondContact N-OD2 2.97Å; G868-D871 PolarHBondContact O-N 2.8Å
869	F	94.7	Very high	91.7	Very high	77 Å²	77	52.4 Å²	52.4	34%	0.338	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	136.2	171.1	-179.1	-116.3	0	0	0	110.1	D871 E963	F869-D871 PolarHBondContact O-N 2.85Å; F869-E963 HydrophobicContact CD1-CB 3.95Å; F869-E963 HydrophobicContact CD1-CG 4Å; F869-E963 HydrophobicContact CD2-CB 4.23Å; F869-E963 HydrophobicContact CE1-CB 3.91Å; F869-E963 HydrophobicContact CE1-CG 4.38Å; F869-E963 HydrophobicContact CE2-CB 4.19Å; F869-E963 HydrophobicContact CG-CB 4.12Å; F869-E963 HydrophobicContact CG-CG 4.21Å; F869-E963 HydrophobicContact CZ-CB 4.03Å
870	D	91.8	Very high	91.7	Very high	105 Å²	105	51.1 Å²	51.1	56%	0.561	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	-8.1	-175.5	-72.5	-28.6	0	0	0	118.2
871	D	96	Very high	91.5	Very high	70 Å²	70	53.6 Å²	53.6	37%	0.374	29%	0.288	S	S	.	.			trans	-63.4	144.2	174.1	-73.9	-41.8	0	0	0	111.5	M867 G868 F869	M867-D871 VanDerWaalsContact CE-C 3.47Å; M867-D871 HydrophobicContact CE-CB 4.03Å; M867-D871 VanDerWaalsContact CE-O 3.26Å; M867-D871 WeakPolarHBondContact CE-O 3.46Å; M867-D871 HydrophobicContact SD-CB 4.33Å; G868-D871 WeakPolarHBondContact CA-OD2 3.48Å; G868-D871 PolarHBondContact N-OD2 2.97Å; G868-D871 PolarHBondContact O-N 2.8Å; F869-D871 PolarHBondContact O-N 2.85Å
872	R	95.1	Very high	91.7	Very high	151 Å²	151	53.2 Å²	53.2	57%	0.57	28%	0.279	S	S	*	.			trans	-126.4	140.2	-171.9	-67.1	-174.1	-177.7	-150.1	-3.5	113.4	Q892 Y893 T894	R872-Q892 HydrophobicContact CB-CB 4.17Å; R872-Q892 VanDerWaalsContact CD-OE1 3.3Å; R872-Y893 WeakPolarHBondContact CA-O 3.42Å; R872-T894 HydrophobicContact CG-CG2 4.02Å
873	T	93.3	Very high	91.9	Very high	12 Å²	12	50.8 Å²	50.8	7%	0.074	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-130.3	158.8	173.5	-172.5	0	0	0	0	111.3	M838 M867 Q892 Y893	M838-T873 HydrophobicContact CE-CG2 4.5Å; M867-T873 HydrophobicContact CE-CG2 3.93Å; M867-T873 HydrophobicContact SD-CG2 4.43Å; T873-Q892 CarbonylContact O-C 3.6Å; T873-Q892 WeakPolarHBondContact O-CA 3.41Å; T873-Y893 HydrophobicContact CG2-CD2 3.94Å; T873-Y893 HydrophobicContact CG2-CE1 4.25Å; T873-Y893 HydrophobicContact CG2-CE2 3.37Å; T873-Y893 PolarHBondContact N-O 3.42Å; T873-Y893 PolarHBondContact O-N 3.39Å
874	S	90.3	Very high	92	Very high	73 Å²	73	50.3 Å²	50.3	51%	0.51	26%	0.264	S	S	.	.			trans	-124.4	6.4	-174.5	62.3	0	0	0	0	114	R550 F876 N891	R550-S874 PolarHBondContact NH2-O 3.31Å; S874-F876 PolarHBondContact O-N 2.91Å; S874-N891 WeakPolarHBondContact CB-O 3.31Å
875	T	88.4	Confident	92.1	Very high	67 Å²	67	46.5 Å²	46.5	41%	0.411	25%	0.248	S	C	.	.			trans	-69.7	126.4	177.8	-48.1	0	0	0	0	110.6	C877 Y893	T875-C877 HydrophobicContact CG2-CB 4.47Å; T875-Y893 WeakPolarHBondContact O-CE1 3.5Å; T875-Y893 VanDerWaalsContact O-CZ 3.27Å; T875-Y893 PolarHBondContact O-OH 2.81Å
876	F	89.1	Confident	92.1	Very high	54 Å²	54	44.5 Å²	44.5	24%	0.237	24%	0.238	C	C	.	.			trans	-87.4	109.8	172.8	-177.1	-87.6	0	0	0	109.7	L554 S874 L883 V887 L888 F925	L554-F876 HydrophobicContact CD1-CB 3.7Å; L554-F876 HydrophobicContact CD1-CD1 4.39Å; L554-F876 HydrophobicContact CD1-CD2 3.73Å; L554-F876 HydrophobicContact CD1-CE2 4.44Å; L554-F876 HydrophobicContact CD1-CG 3.69Å; L554-F876 HydrophobicContact CD2-CB 4.25Å; S874-F876 PolarHBondContact O-N 2.91Å; F876-L883 HydrophobicContact CE1-CD1 4.41Å; F876-L883 HydrophobicContact CE2-CD1 4.16Å; F876-L883 HydrophobicContact CZ-CD1 3.76Å; F876-V887 HydrophobicContact CD2-CG1 3.93Å; F876-V887 HydrophobicContact CE2-CG1 4.25Å; F876-L888 HydrophobicContact CE2-CD2 3.85Å; F876-L888 HydrophobicContact CZ-CD2 4.18Å; F876-F925 HydrophobicContact CZ-CZ 4.39Å
877	C	86.7	Confident	92.1	Very high	22 Å²	22	39 Å²	39	15%	0.149	21%	0.209	C	C	.	.			trans	-157.3	162.5	-178.3	58.6	0	0	0	0	110.6	R840 L862 T875 L883	R840-C877 VanDerWaalsContact CZ-SG 3.54Å; L862-C877 HydrophobicContact CD1-CB 4.45Å; L862-C877 HydrophobicContact CD2-CB 4.24Å; T875-C877 HydrophobicContact CG2-CB 4.47Å; C877-L883 WeakPolarHBondContact O-CD2 3.39Å
878	G	85.4	Confident	91.9	Very high	24 Å²	24	38.8 Å²	38.8	25%	0.247	21%	0.208	C	C	.	.	S	Bend	trans	117.4	164.2	-176.5	0	0	0	0	0	112
879	T	85	Confident	91.6	Very high	31 Å²	31	40.7 Å²	40.7	19%	0.19	22%	0.219	C	C	.	.			trans	-72.1	133.1	174.7	-61.4	0	0	0	0	110.8	K843 E881 F882 L883	K843-T879 WeakPolarHBondContact CD-OG1 3.48Å; K843-T879 PolarHBondContact NZ-OG1 2.82Å; K843-T879 VanDerWaalsContact NZ-OG1 3.1Å; T879-E881 WeakPolarHBondContact CG2-OE1 3.43Å; T879-E881 PolarHBondContact O-N 2.92Å; T879-F882 HydrophobicContact CG2-CD2 3.91Å; T879-F882 HydrophobicContact CG2-CE2 4.38Å; T879-F882 PolarHBondContact O-N 2.78Å; T879-L883 WeakPolarHBondContact O-CG 2.84Å; T879-L883 PolarHBondContact O-N 3.29Å
880	P	89.3	Confident	91.2	Very high	30 Å²	30	40.9 Å²	40.9	20%	0.195	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-45	-52.4	-173.3	-33.7	38.1	0	0	0	116.1	F882 L883 E921 F925 I928	P880-F882 VanDerWaalsContact C-N 3.26Å; P880-F882 PolarHBondContact O-N 2.87Å; P880-L883 PolarHBondContact O-N 2.89Å; P880-E921 HydrophobicContact CG-CG 4.26Å; P880-F925 HydrophobicContact CB-CE1 3.73Å; P880-F925 HydrophobicContact CB-CZ 4.22Å; P880-F925 HydrophobicContact CG-CE1 4.48Å; P880-I928 WeakPolarHBondContact O-CD1 3.02Å
881	E	89.5	Confident	90.7	Very high	54 Å²	54	40.9 Å²	40.9	25%	0.252	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-70.6	-16.4	-176.8	65.6	-87.6	-172.9	0	0	114.7	T879 P914 I924	T879-E881 WeakPolarHBondContact CG2-OE1 3.43Å; T879-E881 PolarHBondContact O-N 2.92Å; E881-P914 HydrophobicContact CB-CB 4.17Å; E881-P914 HydrophobicContact CB-CG 4.35Å; E881-P914 HydrophobicContact CG-CB 4.09Å; E881-P914 HydrophobicContact CG-CG 4.2Å; E881-I924 HydrophobicContact CB-CG2 4.23Å
882	F	92.4	Very high	90.5	Very high	16 Å²	16	41.9 Å²	41.9	7%	0.07	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-98.7	-5.1	178.2	-64.4	-94.9	0	0	0	113.2	L842 K843 T879 P880 A884 W900 V904 E908	L842-F882 WeakPolarHBondContact O-CD1 3.02Å; L842-F882 WeakPolarHBondContact O-CG 3.26Å; K843-F882 HydrophobicContact CB-CD1 4.26Å; K843-F882 HydrophobicContact CB-CD2 4.03Å; K843-F882 HydrophobicContact CB-CE1 3.95Å; K843-F882 HydrophobicContact CB-CE2 3.73Å; K843-F882 HydrophobicContact CB-CG 4.3Å; K843-F882 HydrophobicContact CB-CZ 3.68Å; T879-F882 HydrophobicContact CG2-CD2 3.91Å; T879-F882 HydrophobicContact CG2-CE2 4.38Å; T879-F882 PolarHBondContact O-N 2.78Å; P880-F882 VanDerWaalsContact C-N 3.26Å; P880-F882 PolarHBondContact O-N 2.87Å; F882-A884 PolarHBondContact O-N 2.93Å; F882-W900 VanDerWaalsContact O-CD1 3.3Å; F882-V904 HydrophobicContact CD1-CB 3.91Å; F882-V904 HydrophobicContact CD1-CG1 3.37Å; F882-V904 HydrophobicContact CE1-CB 4.3Å; F882-V904 HydrophobicContact CE1-CG1 3.51Å; F882-V904 HydrophobicContact CG-CG1 4.09Å; F882-V904 HydrophobicContact CZ-CG1 4.31Å; F882-E908 WeakPolarHBondContact CE1-OE2 3.15Å; F882-E908 WeakPolarHBondContact CZ-OE2 3.33Å
883	L	94.2	Very high	90.5	Very high	8 Å²	8	35 Å²	35	4%	0.042	20%	0.197	C	C	.	.			trans	-64.4	132.1	179.9	-68.7	-178.1	0	0	0	111.1	F876 C877 T879 P880 V887 L888 W900 F925 I928	F876-L883 HydrophobicContact CE1-CD1 4.41Å; F876-L883 HydrophobicContact CE2-CD1 4.16Å; F876-L883 HydrophobicContact CZ-CD1 3.76Å; C877-L883 WeakPolarHBondContact O-CD2 3.39Å; T879-L883 WeakPolarHBondContact O-CG 2.84Å; T879-L883 PolarHBondContact O-N 3.29Å; P880-L883 PolarHBondContact O-N 2.89Å; L883-V887 HydrophobicContact CD2-CG1 4.19Å; L883-L888 HydrophobicContact CB-CD2 4.21Å; L883-L888 HydrophobicContact CB-CG 4.46Å; L883-L888 HydrophobicContact CD1-CD2 3.72Å; L883-W900 PolarHBondContact O-NE1 3.34Å; L883-W900 VanDerWaalsContact O-NE1 3.12Å; L883-F925 HydrophobicContact CD1-CE1 3.93Å; L883-F925 HydrophobicContact CD1-CZ 4.46Å; L883-I928 WeakPolarHBondContact O-CG2 2.93Å
884	A	96.8	Very high	90.7	Very high	2 Å²	2	35.7 Å²	35.7	2%	0.017	20%	0.202	C	C	.	.			trans	-70.4	147.3	172.2	0	0	0	0	0	110.8	F882 E886 V887 V897 W900	F882-A884 PolarHBondContact O-N 2.93Å; A884-E886 VanDerWaalsContact C-N 3.25Å; A884-E886 HydrophobicContact CB-CG 4.46Å; A884-E886 WeakPolarHBondContact CB-OE2 3.48Å; A884-E886 PolarHBondContact O-N 3.3Å; A884-V887 HydrophobicContact CB-CG2 4.21Å; A884-V887 VanDerWaalsContact O-CB 3.3Å; A884-V887 WeakPolarHBondContact O-CB 3.47Å; A884-V887 PolarHBondContact O-N 3.13Å; A884-V897 HydrophobicContact CB-CB 4.02Å; A884-V897 HydrophobicContact CB-CG1 3.85Å; A884-W900 VanDerWaalsContact CA-CD1 3.48Å; A884-W900 HydrophobicContact CB-CB 3.76Å; A884-W900 HydrophobicContact CB-CD2 4.13Å; A884-W900 HydrophobicContact CB-CG 3.59Å
885	P	96.1	Very high	91	Very high	5 Å²	5	33 Å²	33	3%	0.032	18%	0.18	C	C	.	.	H	α-helix	trans	-58.5	-35.4	-175.9	19.5	-30.7	0	0	0	112.7	V887 L888 T889 W900 I928 K953	P885-V887 PolarHBondContact O-N 2.84Å; P885-L888 CarbonylContact O-C 3.52Å; P885-L888 WeakPolarHBondContact O-CA 3.48Å; P885-L888 WeakPolarHBondContact O-CB 3.27Å; P885-L888 PolarHBondContact O-N 3.31Å; P885-T889 PolarHBondContact O-N 3.29Å; P885-T889 PolarHBondContact O-OG1 3.06Å; P885-W900 HydrophobicContact CG-CE3 4.22Å; P885-W900 HydrophobicContact CG-CH2 4Å; P885-W900 HydrophobicContact CG-CZ3 3.84Å; P885-I928 HydrophobicContact CB-CG2 4.28Å; P885-K953 HydrophobicContact CB-CD 4.37Å; P885-K953 HydrophobicContact CG-CB 4.12Å; P885-K953 HydrophobicContact CG-CD 4.04Å; P885-K953 WeakPolarHBondContact CG-O 3.48Å
886	E	95.5	Very high	91.4	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-64.8	-25.2	176.1	66.2	-91.3	-148.8	0	0	113.6	A884 L888 E890 S896 V897 P955 R958	A884-E886 VanDerWaalsContact C-N 3.25Å; A884-E886 HydrophobicContact CB-CG 4.46Å; A884-E886 WeakPolarHBondContact CB-OE2 3.48Å; A884-E886 PolarHBondContact O-N 3.3Å; E886-L888 VanDerWaalsContact C-N 3.26Å; E886-L888 PolarHBondContact O-N 2.72Å; E886-E890 HydrophobicContact CB-CB 4.39Å; E886-E890 HydrophobicContact CB-CG 4.06Å; E886-E890 WeakPolarHBondContact O-CA 3.45Å; E886-E890 WeakPolarHBondContact O-CB 3.48Å; E886-E890 PolarHBondContact O-N 2.61Å; E886-S896 PolarHBondContact OE1-OG 3.48Å; E886-S896 VanDerWaalsContact OE1-OG 3.06Å; E886-V897 HydrophobicContact CG-CG1 4.19Å; E886-P955 HydrophobicContact CB-CG 4.25Å; E886-P955 HydrophobicContact CG-CG 4.32Å; E886-R958 IonicContact OE1-CZ 3.29Å; E886-R958 IonicContact OE1-NH1 3.04Å; E886-R958 PolarHBondContact OE1-NH1 2.96Å; E886-R958 IonicContact OE1-NH2 3.06Å; E886-R958 IonicContact OE2-CZ 3.19Å; E886-R958 IonicContact OE2-NH1 3.77Å; E886-R958 PolarHBondContact OE2-NH1 2.95Å; E886-R958 IonicContact OE2-NH2 3.6Å; E886-R958 PolarHBondContact OE2-NH2 3.26Å
887	V	94.3	Very high	91.8	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.024	15%	0.153	C	C	.	.	H	α-helix	trans	-68.8	-30.4	172.1	-175	0	0	0	0	110.3	R550 F876 L883 A884 P885 Y893 V897	R550-V887 WeakPolarHBondContact CD-O 3.48Å; R550-V887 PolarHBondContact NH1-O 2.84Å; R550-V887 VanDerWaalsContact NH1-O 3.09Å; F876-V887 HydrophobicContact CD2-CG1 3.93Å; F876-V887 HydrophobicContact CE2-CG1 4.25Å; L883-V887 HydrophobicContact CD2-CG1 4.19Å; A884-V887 HydrophobicContact CB-CG2 4.21Å; A884-V887 VanDerWaalsContact O-CB 3.3Å; A884-V887 WeakPolarHBondContact O-CB 3.47Å; A884-V887 PolarHBondContact O-N 3.13Å; P885-V887 PolarHBondContact O-N 2.84Å; V887-Y893 HydrophobicContact CB-CD1 4.44Å; V887-Y893 HydrophobicContact CG1-CD1 4.45Å; V887-Y893 HydrophobicContact CG1-CE1 4.19Å; V887-Y893 HydrophobicContact CG2-CD1 3.87Å; V887-Y893 HydrophobicContact CG2-CD2 4.35Å; V887-Y893 HydrophobicContact CG2-CE1 4.12Å; V887-Y893 HydrophobicContact CG2-CG 3.99Å; V887-V897 HydrophobicContact CG2-CG1 3.7Å
888	L	91	Very high	92.4	Very high	4 Å²	4	27 Å²	27	2%	0.021	15%	0.147	C	C	.	.	H	α-helix	trans	-87.8	-31.1	179.3	-54.4	179.6	0	0	0	113.2	R550 F876 L883 P885 E886 F925 I928 V929	R550-L888 WeakPolarHBondContact CB-O 3.26Å; F876-L888 HydrophobicContact CE2-CD2 3.85Å; F876-L888 HydrophobicContact CZ-CD2 4.18Å; L883-L888 HydrophobicContact CB-CD2 4.21Å; L883-L888 HydrophobicContact CB-CG 4.46Å; L883-L888 HydrophobicContact CD1-CD2 3.72Å; P885-L888 CarbonylContact O-C 3.52Å; P885-L888 WeakPolarHBondContact O-CA 3.48Å; P885-L888 WeakPolarHBondContact O-CB 3.27Å; P885-L888 PolarHBondContact O-N 3.31Å; E886-L888 VanDerWaalsContact C-N 3.26Å; E886-L888 PolarHBondContact O-N 2.72Å; L888-F925 HydrophobicContact CD1-CB 3.94Å; L888-F925 HydrophobicContact CD1-CD1 3.9Å; L888-F925 HydrophobicContact CD1-CG 4.15Å; L888-F925 HydrophobicContact CD2-CD1 3.7Å; L888-F925 HydrophobicContact CD2-CE1 4.01Å; L888-F925 HydrophobicContact CD2-CG 4.01Å; L888-F925 HydrophobicContact CG-CD1 4.48Å; L888-I928 HydrophobicContact CD1-CB 3.86Å; L888-I928 HydrophobicContact CD1-CD1 4.26Å; L888-I928 HydrophobicContact CD1-CG2 3.58Å; L888-V929 HydrophobicContact CB-CG2 4.01Å; L888-V929 HydrophobicContact CD1-CG2 3.92Å
889	T	88.1	Confident	93	Very high	45 Å²	45	25.9 Å²	25.9	28%	0.276	14%	0.135	S	C	.	.	H	α-helix	trans	-108.1	-32.3	-171	61	0	0	0	0	114.7	P885 V929	P885-T889 PolarHBondContact O-N 3.29Å; P885-T889 PolarHBondContact O-OG1 3.06Å; T889-V929 HydrophobicContact CG2-CB 4.38Å; T889-V929 HydrophobicContact CG2-CG1 3.75Å; T889-V929 HydrophobicContact CG2-CG2 3.62Å
890	E	87.1	Confident	93.6	Very high	81 Å²	81	24.4 Å²	24.4	38%	0.379	13%	0.126	S	C	.	.	S	Bend	trans	-100.7	166.3	-174.6	-56.8	-173.9	-163.8	0	0	111.7	R550 E886	R550-E890 WeakPolarHBondContact CD-O 3.49Å; R550-E890 PolarHBondContact NE-O 3.4Å; R550-E890 PolarHBondContact NH1-O 3.17Å; E886-E890 HydrophobicContact CB-CB 4.39Å; E886-E890 HydrophobicContact CB-CG 4.06Å; E886-E890 WeakPolarHBondContact O-CA 3.45Å; E886-E890 WeakPolarHBondContact O-CB 3.48Å; E886-E890 PolarHBondContact O-N 2.61Å
891	N	80.8	Confident	94	Very high	105 Å²	105	23.1 Å²	23.1	56%	0.561	12%	0.119	S	C	*	.	S	Bend	trans	-83.8	-24.9	176.5	-68.7	-31.6	0	0	0	112.6	S874	S874-N891 WeakPolarHBondContact CB-O 3.31Å
892	Q	92.1	Very high	94.5	Very high	90 Å²	90	20.6 Å²	20.6	42%	0.421	11%	0.107	S	C	.	.			trans	-138.7	150.5	-175.4	-74.2	177	-9.8	0	0	109.1	R872 T873	R872-Q892 HydrophobicContact CB-CB 4.17Å; R872-Q892 VanDerWaalsContact CD-OE1 3.3Å; T873-Q892 CarbonylContact O-C 3.6Å; T873-Q892 WeakPolarHBondContact O-CA 3.41Å
893	Y	95.7	Very high	94.7	Very high	7 Å²	7	19.8 Å²	19.8	3%	0.027	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-142.1	168.2	175.8	59.3	-94.5	0	0	0	110.3	M838 R840 R872 T873 T875 V887 V897	M838-Y893 HydrophobicContact CE-CD2 3.83Å; M838-Y893 HydrophobicContact CE-CE2 3.67Å; R840-Y893 PolarHBondContact NH1-OH 3.16Å; R872-Y893 WeakPolarHBondContact CA-O 3.42Å; T873-Y893 HydrophobicContact CG2-CD2 3.94Å; T873-Y893 HydrophobicContact CG2-CE1 4.25Å; T873-Y893 HydrophobicContact CG2-CE2 3.37Å; T873-Y893 PolarHBondContact N-O 3.42Å; T873-Y893 PolarHBondContact O-N 3.39Å; T875-Y893 WeakPolarHBondContact O-CE1 3.5Å; T875-Y893 VanDerWaalsContact O-CZ 3.27Å; T875-Y893 PolarHBondContact O-OH 2.81Å; V887-Y893 HydrophobicContact CB-CD1 4.44Å; V887-Y893 HydrophobicContact CG1-CD1 4.45Å; V887-Y893 HydrophobicContact CG1-CE1 4.19Å; V887-Y893 HydrophobicContact CG2-CD1 3.87Å; V887-Y893 HydrophobicContact CG2-CD2 4.35Å; V887-Y893 HydrophobicContact CG2-CE1 4.12Å; V887-Y893 HydrophobicContact CG2-CG 3.99Å; Y893-V897 HydrophobicContact CD2-CB 4.44Å; Y893-V897 HydrophobicContact CD2-CG1 3.5Å; Y893-V897 HydrophobicContact CD2-CG2 4.06Å; Y893-V897 HydrophobicContact CE2-CG1 4.26Å; Y893-V897 HydrophobicContact CE2-CG2 4.17Å; Y893-V897 HydrophobicContact CG-CG1 3.93Å
894	T	96.8	Very high	94.9	Very high	27 Å²	27	19.4 Å²	19.4	17%	0.166	10%	0.101	C	C	.	.			trans	-118	-175.9	-175.5	73.5	0	0	0	0	110.7	M838 R872 S896 V897	M838-T894 VanDerWaalsContact CE-C 3.41Å; M838-T894 WeakPolarHBondContact CE-O 3.44Å; M838-T894 VanDerWaalsContact SD-C 3.59Å; R872-T894 HydrophobicContact CG-CG2 4.02Å; T894-S896 PolarHBondContact O-N 2.87Å; T894-S896 WeakPolarHBondContact OG1-CB 3.47Å; T894-S896 PolarHBondContact OG1-N 3.27Å; T894-S896 PolarHBondContact OG1-OG 3.07Å; T894-V897 PolarHBondContact O-N 2.96Å
895	R	96.8	Very high	94.9	Very high	17 Å²	17	19.3 Å²	19.3	6%	0.064	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-13.9	171.9	71.5	-178.6	-174.9	-176.8	-0.3	115.2	M838 V897 D898 T962 E963 D965	M838-R895 HydrophobicContact CG-CB 3.66Å; M838-R895 HydrophobicContact SD-CB 4.11Å; M838-R895 PolarHBondContact SD-N 3.15Å; M838-R895 VanDerWaalsContact SD-N 3.37Å; R895-V897 PolarHBondContact O-N 3.24Å; R895-D898 PolarHBondContact O-N 2.87Å; R895-D898 VanDerWaalsContact O-N 3.09Å; R895-T962 PolarHBondContact NH2-O 3.3Å; R895-T962 VanDerWaalsContact NH2-O 3.12Å; R895-E963 PolarHBondContact NH2-O 3.45Å; R895-D965 IonicContact CZ-OD1 2.9Å; R895-D965 VanDerWaalsContact CZ-OD1 3.29Å; R895-D965 IonicContact NE-OD1 2.8Å; R895-D965 PolarHBondContact NE-OD1 2.9Å; R895-D965 IonicContact NH1-OD1 3.9Å; R895-D965 IonicContact NH2-OD1 3.03Å
896	S	97.1	Very high	95	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.007	10%	0.099	C	C	.	.	H	α-helix	trans	-53.7	-21.2	173.9	62.6	0	0	0	0	115.1	E886 T894 D898 W899 W900 P955 R958 S961	E886-S896 PolarHBondContact OE1-OG 3.48Å; E886-S896 VanDerWaalsContact OE1-OG 3.06Å; T894-S896 PolarHBondContact O-N 2.87Å; T894-S896 WeakPolarHBondContact OG1-CB 3.47Å; T894-S896 PolarHBondContact OG1-N 3.27Å; T894-S896 PolarHBondContact OG1-OG 3.07Å; S896-D898 VanDerWaalsContact C-N 3.33Å; S896-W899 PolarHBondContact O-N 3.4Å; S896-W900 PolarHBondContact O-N 3.35Å; S896-P955 WeakPolarHBondContact OG-CB 3.38Å; S896-R958 PolarHBondContact O-NH1 3.28Å; S896-S961 VanDerWaalsContact CB-OG 3.31Å; S896-S961 WeakPolarHBondContact CB-OG 3.47Å
897	V	97.6	Very high	95.1	Very high	12 Å²	12	19.4 Å²	19.4	7%	0.073	10%	0.1	C	C	.	.	H	α-helix	trans	-68.5	-31	178.3	-57	0	0	0	0	112.5	M838 R840 A884 E886 V887 Y893 T894 R895 W899 W900 G901	M838-V897 HydrophobicContact CE-CG2 3.44Å; M838-V897 VanDerWaalsContact CE-CG2 3.44Å; R840-V897 HydrophobicContact CG-CG2 4.32Å; A884-V897 HydrophobicContact CB-CB 4.02Å; A884-V897 HydrophobicContact CB-CG1 3.85Å; E886-V897 HydrophobicContact CG-CG1 4.19Å; V887-V897 HydrophobicContact CG2-CG1 3.7Å; Y893-V897 HydrophobicContact CD2-CB 4.44Å; Y893-V897 HydrophobicContact CD2-CG1 3.5Å; Y893-V897 HydrophobicContact CD2-CG2 4.06Å; Y893-V897 HydrophobicContact CE2-CG1 4.26Å; Y893-V897 HydrophobicContact CE2-CG2 4.17Å; Y893-V897 HydrophobicContact CG-CG1 3.93Å; T894-V897 PolarHBondContact O-N 2.96Å; R895-V897 PolarHBondContact O-N 3.24Å; V897-W899 VanDerWaalsContact C-N 3.33Å; V897-W899 PolarHBondContact O-N 2.86Å; V897-W900 WeakPolarHBondContact O-CB 3.43Å; V897-W900 PolarHBondContact O-N 3.31Å; V897-G901 PolarHBondContact O-N 3.16Å
898	D	98.1	Very high	95.2	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.016	10%	0.102	C	C	.	.	H	α-helix	trans	-69.7	-34.8	178.8	-69.4	-28.7	0	0	0	111	L829 H833 M838 Y839 R840 R895 S896 G901 L902	L829-D898 HydrophobicContact CD1-CB 4.32Å; L829-D898 HydrophobicContact CD2-CB 4.18Å; H833-D898 IonicContact NE2-OD2 2.77Å; H833-D898 PolarHBondContact NE2-OD2 3.36Å; M838-D898 WeakPolarHBondContact CA-OD2 3.44Å; Y839-D898 PolarHBondContact N-OD2 3.44Å; R840-D898 WeakPolarHBondContact CA-OD1 3.35Å; R840-D898 PolarHBondContact N-OD1 2.82Å; R895-D898 PolarHBondContact O-N 2.87Å; R895-D898 VanDerWaalsContact O-N 3.09Å; S896-D898 VanDerWaalsContact C-N 3.33Å; D898-G901 PolarHBondContact O-N 2.98Å; D898-L902 PolarHBondContact O-N 3.42Å
899	W	98.6	Very high	95.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-70.7	-31	173.1	-60.7	124.8	0	0	0	113.4	T826 L829 H833 S896 V897 L902 G903 L950 G960 D965 A966 V969	T826-W899 HydrophobicContact CG2-CH2 4.32Å; T826-W899 HydrophobicContact CG2-CZ3 4.3Å; L829-W899 HydrophobicContact CB-CH2 4.18Å; L829-W899 HydrophobicContact CB-CZ3 4.46Å; L829-W899 HydrophobicContact CD1-CE3 4.36Å; L829-W899 HydrophobicContact CD1-CZ3 4.1Å; H833-W899 AromaticContact CE1-CE2 3.77Å; H833-W899 AromaticContact CE1-CZ2 3.93Å; H833-W899 AromaticContact CE1-NE1 3.58Å; H833-W899 AromaticContact ND1-CE2 3.95Å; H833-W899 AromaticContact ND1-CZ2 3.79Å; H833-W899 AromaticContact ND1-NE1 3.78Å; S896-W899 PolarHBondContact O-N 3.4Å; V897-W899 VanDerWaalsContact C-N 3.33Å; V897-W899 PolarHBondContact O-N 2.86Å; W899-L902 HydrophobicContact CE3-CB 4.47Å; W899-L902 HydrophobicContact CE3-CD2 3.76Å; W899-L902 HydrophobicContact CZ3-CD2 3.77Å; W899-L902 PolarHBondContact O-N 2.65Å; W899-G903 PolarHBondContact O-N 3.35Å; W899-L950 HydrophobicContact CB-CD2 4.14Å; W899-L950 WeakPolarHBondContact O-CD2 3.5Å; W899-G960 VanDerWaalsContact CD1-C 3.43Å; W899-G960 VanDerWaalsContact CD1-O 3.23Å; W899-G960 PolarHBondContact NE1-O 3.24Å; W899-D965 WeakPolarHBondContact CZ2-OD2 3.4Å; W899-D965 PolarHBondContact NE1-OD1 3.42Å; W899-A966 HydrophobicContact CH2-CB 3.66Å; W899-A966 HydrophobicContact CZ2-CB 3.83Å; W899-V969 HydrophobicContact CD2-CG2 3.99Å; W899-V969 HydrophobicContact CE3-CG1 4.48Å; W899-V969 HydrophobicContact CE3-CG2 3.69Å; W899-V969 HydrophobicContact CH2-CG2 4.08Å; W899-V969 HydrophobicContact CZ2-CG2 4.33Å; W899-V969 HydrophobicContact CZ3-CB 4.23Å; W899-V969 HydrophobicContact CZ3-CG1 4.12Å; W899-V969 HydrophobicContact CZ3-CG2 3.75Å
900	W	98.4	Very high	95.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.8	-47.8	167.8	171.4	-84.5	0	0	0	110.6	F882 L883 A884 P885 S896 V897 L902 G903 V904 F916 I928 L951 K953	F882-W900 VanDerWaalsContact O-CD1 3.3Å; L883-W900 PolarHBondContact O-NE1 3.34Å; L883-W900 VanDerWaalsContact O-NE1 3.12Å; A884-W900 VanDerWaalsContact CA-CD1 3.48Å; A884-W900 HydrophobicContact CB-CB 3.76Å; A884-W900 HydrophobicContact CB-CD2 4.13Å; A884-W900 HydrophobicContact CB-CG 3.59Å; P885-W900 HydrophobicContact CG-CE3 4.22Å; P885-W900 HydrophobicContact CG-CH2 4Å; P885-W900 HydrophobicContact CG-CZ3 3.84Å; S896-W900 PolarHBondContact O-N 3.35Å; V897-W900 WeakPolarHBondContact O-CB 3.43Å; V897-W900 PolarHBondContact O-N 3.31Å; W900-L902 VanDerWaalsContact C-N 3.25Å; W900-L902 PolarHBondContact O-N 3.1Å; W900-G903 WeakPolarHBondContact O-CA 3.47Å; W900-G903 PolarHBondContact O-N 3.16Å; W900-V904 PolarHBondContact O-N 3.01Å; W900-F916 AromaticContact CH2-CE2 3.57Å; W900-F916 HydrophobicContact CH2-CE2 3.57Å; W900-F916 AromaticContact CH2-CZ 3.79Å; W900-F916 HydrophobicContact CH2-CZ 3.79Å; W900-F916 HydrophobicContact CZ2-CD2 4.06Å; W900-F916 AromaticContact CZ2-CE2 3.32Å; W900-F916 HydrophobicContact CZ2-CE2 3.32Å; W900-F916 HydrophobicContact CZ2-CZ 4.03Å; W900-I928 HydrophobicContact CZ2-CG2 3.99Å; W900-L951 HydrophobicContact CD2-CD2 3.99Å; W900-L951 HydrophobicContact CE3-CD2 4.04Å; W900-L951 HydrophobicContact CH2-CD2 4.33Å; W900-L951 HydrophobicContact CZ2-CD2 4.28Å; W900-L951 HydrophobicContact CZ3-CB 4.23Å; W900-L951 HydrophobicContact CZ3-CD2 4.22Å; W900-L951 WeakPolarHBondContact CZ3-O 3.47Å; W900-K953 HydrophobicContact CH2-CD 3.84Å; W900-K953 HydrophobicContact CZ3-CD 4.08Å
901	G	97.7	Very high	96	Very high	4 Å²	4	15.3 Å²	15.3	4%	0.041	8%	0.08	C	C	.	.	H	α-helix	trans	-53.1	-43.2	175	0	0	0	0	0	112	V897 D898 G903 V904 L905	V897-G901 PolarHBondContact O-N 3.16Å; D898-G901 PolarHBondContact O-N 2.98Å; G901-G903 VanDerWaalsContact C-N 3.29Å; G901-G903 PolarHBondContact O-N 3.37Å; G901-V904 PolarHBondContact O-N 2.85Å; G901-L905 VanDerWaalsContact O-CB 3.31Å; G901-L905 WeakPolarHBondContact O-CB 3.39Å; G901-L905 PolarHBondContact O-N 3.42Å
902	L	98.4	Very high	96.5	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-61.4	-37.8	176	-178.5	63.2	0	0	0	112.2	A822 V825 L842 D898 W899 W900 L905 I906 L950 V969	A822-L902 HydrophobicContact CB-CD1 4.34Å; V825-L902 HydrophobicContact CB-CD1 4.35Å; V825-L902 HydrophobicContact CG1-CD1 3.94Å; L842-L902 HydrophobicContact CD2-CB 4.15Å; D898-L902 PolarHBondContact O-N 3.42Å; W899-L902 HydrophobicContact CE3-CB 4.47Å; W899-L902 HydrophobicContact CE3-CD2 3.76Å; W899-L902 HydrophobicContact CZ3-CD2 3.77Å; W899-L902 PolarHBondContact O-N 2.65Å; W900-L902 VanDerWaalsContact C-N 3.25Å; W900-L902 PolarHBondContact O-N 3.1Å; L902-L905 HydrophobicContact CD1-CD2 4.36Å; L902-I906 HydrophobicContact CD1-CD1 4.16Å; L902-I906 HydrophobicContact CD1-CG1 4.29Å; L902-I906 HydrophobicContact CG-CD1 4Å; L902-I906 VanDerWaalsContact O-CG1 3.27Å; L902-I906 WeakPolarHBondContact O-CG1 3.32Å; L902-I906 PolarHBondContact O-N 3.11Å; L902-L950 HydrophobicContact CB-CD1 4.37Å; L902-L950 HydrophobicContact CD2-CD1 4.15Å; L902-L950 HydrophobicContact CG-CD1 4.03Å; L902-V969 HydrophobicContact CD2-CG1 4.04Å
903	G	98.4	Very high	96.3	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-65.2	-41.3	175.8	0	0	0	0	0	113	W899 W900 G901 F907	W899-G903 PolarHBondContact O-N 3.35Å; W900-G903 WeakPolarHBondContact O-CA 3.47Å; W900-G903 PolarHBondContact O-N 3.16Å; G901-G903 VanDerWaalsContact C-N 3.29Å; G901-G903 PolarHBondContact O-N 3.37Å; G903-F907 PolarHBondContact O-N 3.5Å
904	V	97.8	Very high	96.1	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65.9	-46.9	175.4	176.4	0	0	0	0	110	F882 W900 G901 I906 F907 E908 P915 L951	F882-V904 HydrophobicContact CD1-CB 3.91Å; F882-V904 HydrophobicContact CD1-CG1 3.37Å; F882-V904 HydrophobicContact CE1-CB 4.3Å; F882-V904 HydrophobicContact CE1-CG1 3.51Å; F882-V904 HydrophobicContact CG-CG1 4.09Å; F882-V904 HydrophobicContact CZ-CG1 4.31Å; W900-V904 PolarHBondContact O-N 3.01Å; G901-V904 PolarHBondContact O-N 2.85Å; V904-I906 PolarHBondContact O-N 2.95Å; V904-F907 WeakPolarHBondContact O-CB 3.46Å; V904-F907 PolarHBondContact O-N 2.94Å; V904-F907 VanDerWaalsContact O-N 3.14Å; V904-E908 WeakPolarHBondContact O-CB 3.32Å; V904-E908 PolarHBondContact O-N 3.27Å; V904-P915 HydrophobicContact CB-CG 4.5Å; V904-P915 HydrophobicContact CG1-CG 4.25Å; V904-P915 HydrophobicContact CG2-CG 4.17Å; V904-L951 HydrophobicContact CG2-CD2 3.7Å
905	L	97.2	Very high	96	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-58.5	-45.5	178.8	-177.9	73	0	0	0	112.7	V825 L842 L844 L847 G901 L902 F907 E908 M909	V825-L905 HydrophobicContact CG1-CD2 4.38Å; V825-L905 HydrophobicContact CG2-CD2 4.1Å; L842-L905 HydrophobicContact CD2-CB 4.44Å; L842-L905 HydrophobicContact CD2-CD2 4Å; L842-L905 HydrophobicContact CG-CD2 4.19Å; L844-L905 HydrophobicContact CD2-CD1 3.6Å; L844-L905 HydrophobicContact CG-CD1 3.92Å; L847-L905 HydrophobicContact CD1-CD1 3.69Å; L847-L905 HydrophobicContact CD1-CD2 3.52Å; L847-L905 HydrophobicContact CD1-CG 4.24Å; G901-L905 VanDerWaalsContact O-CB 3.31Å; G901-L905 WeakPolarHBondContact O-CB 3.39Å; G901-L905 PolarHBondContact O-N 3.42Å; L902-L905 HydrophobicContact CD1-CD2 4.36Å; L905-F907 VanDerWaalsContact C-N 3.33Å; L905-F907 PolarHBondContact O-N 2.96Å; L905-E908 PolarHBondContact O-N 3.39Å; L905-M909 HydrophobicContact CG-CE 4.18Å; L905-M909 WeakPolarHBondContact O-CG 3.45Å; L905-M909 PolarHBondContact O-N 3.17Å
906	I	98.1	Very high	95.9	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-63.1	-41.9	176.7	-68.5	166.6	0	0	0	110.6	A822 L902 V904 M909 L910 I946 M947 L950 F974	A822-I906 HydrophobicContact CB-CD1 4.04Å; A822-I906 HydrophobicContact CB-CG1 3.87Å; L902-I906 HydrophobicContact CD1-CD1 4.16Å; L902-I906 HydrophobicContact CD1-CG1 4.29Å; L902-I906 HydrophobicContact CG-CD1 4Å; L902-I906 VanDerWaalsContact O-CG1 3.27Å; L902-I906 WeakPolarHBondContact O-CG1 3.32Å; L902-I906 PolarHBondContact O-N 3.11Å; V904-I906 PolarHBondContact O-N 2.95Å; I906-M909 HydrophobicContact CG1-CE 4.26Å; I906-L910 HydrophobicContact CG2-CD1 3.77Å; I906-L910 HydrophobicContact CG2-CG 4.44Å; I906-L910 WeakPolarHBondContact O-CB 3.48Å; I906-L910 VanDerWaalsContact O-CG 3.25Å; I906-L910 WeakPolarHBondContact O-CG 3.13Å; I906-L910 PolarHBondContact O-N 3.44Å; I906-I946 HydrophobicContact CD1-CD1 4.24Å; I906-M947 HydrophobicContact CB-CG 4.28Å; I906-M947 HydrophobicContact CG2-CG 3.83Å; I906-M947 HydrophobicContact CG2-SD 4.03Å; I906-L950 HydrophobicContact CD1-CD1 4.01Å; I906-F974 HydrophobicContact CD1-CE1 4.13Å; I906-F974 HydrophobicContact CG1-CE1 4.47Å; I906-F974 HydrophobicContact CG2-CE1 4.33Å; I906-F974 HydrophobicContact CG2-CZ 3.96Å
907	F	97.6	Very high	95.3	Very high	7 Å²	7	15.4 Å²	15.4	3%	0.031	10%	0.099	C	C	.	.	H	α-helix	trans	-61.2	-48.5	177.8	-172.8	-81.9	0	0	0	110.8	G903 V904 L905 M909 L910 V911 E913 P915 V933 Y935 M947	G903-F907 PolarHBondContact O-N 3.5Å; V904-F907 WeakPolarHBondContact O-CB 3.46Å; V904-F907 PolarHBondContact O-N 2.94Å; V904-F907 VanDerWaalsContact O-N 3.14Å; L905-F907 VanDerWaalsContact C-N 3.33Å; L905-F907 PolarHBondContact O-N 2.96Å; F907-M909 PolarHBondContact O-N 3.46Å; F907-L910 PolarHBondContact O-N 3.23Å; F907-V911 HydrophobicContact CD1-CB 4.01Å; F907-V911 HydrophobicContact CD1-CG2 4.02Å; F907-V911 HydrophobicContact CD2-CG2 4.26Å; F907-V911 HydrophobicContact CE1-CB 3.72Å; F907-V911 HydrophobicContact CE1-CG1 3.78Å; F907-V911 HydrophobicContact CE1-CG2 3.79Å; F907-V911 HydrophobicContact CE2-CG2 4.05Å; F907-V911 HydrophobicContact CG-CG2 4.25Å; F907-V911 HydrophobicContact CZ-CB 4.19Å; F907-V911 HydrophobicContact CZ-CG1 4.07Å; F907-V911 HydrophobicContact CZ-CG2 3.81Å; F907-V911 VanDerWaalsContact O-CB 3.29Å; F907-V911 WeakPolarHBondContact O-CB 3.46Å; F907-V911 WeakPolarHBondContact O-CG2 3.35Å; F907-V911 PolarHBondContact O-N 2.89Å; F907-E913 VanDerWaalsContact CD1-O 3.23Å; F907-E913 WeakPolarHBondContact CD1-O 3.15Å; F907-E913 WeakPolarHBondContact CE1-O 3.28Å; F907-P915 HydrophobicContact CB-CB 4.43Å; F907-P915 HydrophobicContact CB-CG 4.36Å; F907-P915 HydrophobicContact CD1-CB 3.71Å; F907-P915 HydrophobicContact CD1-CG 4.18Å; F907-P915 HydrophobicContact CD2-CB 4.02Å; F907-P915 VanDerWaalsContact CE1-CA 3.48Å; F907-P915 HydrophobicContact CE1-CB 3.86Å; F907-P915 HydrophobicContact CE2-CB 4.15Å; F907-P915 HydrophobicContact CG-CB 3.79Å; F907-P915 HydrophobicContact CG-CG 4.21Å; F907-P915 HydrophobicContact CZ-CB 4.08Å; F907-V933 HydrophobicContact CD2-CG1 3.91Å; F907-V933 HydrophobicContact CE2-CG1 3.55Å; F907-V933 HydrophobicContact CZ-CG1 4.31Å; F907-Y935 HydrophobicContact CD2-CD1 4.2Å; F907-Y935 HydrophobicContact CD2-CE1 4.09Å; F907-Y935 HydrophobicContact CE2-CD1 4.01Å; F907-Y935 HydrophobicContact CE2-CE1 4.24Å; F907-M947 WeakPolarHBondContact CA-SD 3.27Å; F907-M947 HydrophobicContact CB-SD 3.57Å; F907-M947 VanDerWaalsContact CB-SD 3.57Å; F907-M947 HydrophobicContact CD2-SD 3.7Å; F907-M947 HydrophobicContact CG-SD 4.08Å
908	E	95.2	Very high	94.6	Very high	14 Å²	14	16 Å²	16	7%	0.065	11%	0.108	C	C	.	.	H	α-helix	trans	-62.1	-44.1	-179.6	-167.8	-179	-154.7	0	0	112	I808 L844 F882 V904 L905 L910 V911 G912	I808-E908 VanDerWaalsContact CD1-O 3.26Å; I808-E908 WeakPolarHBondContact CD1-O 3.36Å; L844-E908 HydrophobicContact CD1-CG 3.75Å; L844-E908 WeakPolarHBondContact CD1-OE2 3.42Å; L844-E908 WeakPolarHBondContact CG-OE2 3.3Å; F882-E908 WeakPolarHBondContact CE1-OE2 3.15Å; F882-E908 WeakPolarHBondContact CZ-OE2 3.33Å; V904-E908 WeakPolarHBondContact O-CB 3.32Å; V904-E908 PolarHBondContact O-N 3.27Å; L905-E908 PolarHBondContact O-N 3.39Å; E908-L910 VanDerWaalsContact C-N 3.27Å; E908-L910 PolarHBondContact O-N 3.13Å; E908-V911 PolarHBondContact O-N 2.75Å; E908-G912 VanDerWaalsContact O-CA 3.26Å; E908-G912 WeakPolarHBondContact O-CA 3.42Å; E908-G912 PolarHBondContact O-N 3.28Å
909	M	95.6	Very high	93.7	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-58.6	-37.1	174.9	-74.2	-170.6	-64.3	0	0	113.1	L804 F813 A818 Y821 A822 L844 L905 I906 F907	L804-M909 HydrophobicContact CD1-SD 4.46Å; F813-M909 HydrophobicContact CB-CB 4.39Å; F813-M909 WeakPolarHBondContact CB-O 3.42Å; F813-M909 HydrophobicContact CD2-CB 3.89Å; F813-M909 HydrophobicContact CD2-CG 3.66Å; F813-M909 HydrophobicContact CD2-SD 3.8Å; F813-M909 HydrophobicContact CE2-CG 4.02Å; F813-M909 HydrophobicContact CE2-SD 4.13Å; F813-M909 PolarHBondContact N-O 3.07Å; A818-M909 HydrophobicContact CB-CB 3.93Å; A818-M909 HydrophobicContact CB-CE 4.1Å; A818-M909 HydrophobicContact CB-SD 4.34Å; A818-M909 WeakPolarHBondContact O-CE 3.26Å; Y821-M909 HydrophobicContact CD2-SD 4.26Å; A822-M909 HydrophobicContact CB-CE 4.3Å; L844-M909 HydrophobicContact CD2-CG 3.82Å; L905-M909 HydrophobicContact CG-CE 4.18Å; L905-M909 WeakPolarHBondContact O-CG 3.45Å; L905-M909 PolarHBondContact O-N 3.17Å; I906-M909 HydrophobicContact CG1-CE 4.26Å; F907-M909 PolarHBondContact O-N 3.46Å
910	L	95.8	Very high	93.1	Very high	8 Å²	8	24.4 Å²	24.4	4%	0.042	15%	0.153	C	C	.	.	H	α-helix	trans	-89.6	-24.7	-175.2	-65.4	175.4	0	0	0	114	E815 A818 I906 F907 E908 F938 L939 A943 M947 F974	E815-L910 HydrophobicContact CB-CD2 4.17Å; E815-L910 HydrophobicContact CG-CD2 4.28Å; A818-L910 HydrophobicContact CB-CD2 3.55Å; A818-L910 HydrophobicContact CB-CG 4.07Å; I906-L910 HydrophobicContact CG2-CD1 3.77Å; I906-L910 HydrophobicContact CG2-CG 4.44Å; I906-L910 WeakPolarHBondContact O-CB 3.48Å; I906-L910 VanDerWaalsContact O-CG 3.25Å; I906-L910 WeakPolarHBondContact O-CG 3.13Å; I906-L910 PolarHBondContact O-N 3.44Å; F907-L910 PolarHBondContact O-N 3.23Å; E908-L910 VanDerWaalsContact C-N 3.27Å; E908-L910 PolarHBondContact O-N 3.13Å; L910-F938 WeakPolarHBondContact O-CE2 3.44Å; L910-L939 HydrophobicContact CB-CD2 3.67Å; L910-L939 HydrophobicContact CD1-CD2 4.07Å; L910-L939 HydrophobicContact CG-CD2 4.42Å; L910-A943 HydrophobicContact CD1-CB 3.83Å; L910-M947 HydrophobicContact CD1-CE 4.04Å; L910-F974 HydrophobicContact CD1-CE2 4.43Å
911	V	92.9	Very high	92.5	Very high	25 Å²	25	29.2 Å²	29.2	15%	0.152	18%	0.175	C	C	.	.	H	α-helix	trans	-112.6	-24.8	-173.2	-177.4	0	0	0	0	112	F907 E908 E913 P936 F938 L939	F907-V911 HydrophobicContact CD1-CB 4.01Å; F907-V911 HydrophobicContact CD1-CG2 4.02Å; F907-V911 HydrophobicContact CD2-CG2 4.26Å; F907-V911 HydrophobicContact CE1-CB 3.72Å; F907-V911 HydrophobicContact CE1-CG1 3.78Å; F907-V911 HydrophobicContact CE1-CG2 3.79Å; F907-V911 HydrophobicContact CE2-CG2 4.05Å; F907-V911 HydrophobicContact CG-CG2 4.25Å; F907-V911 HydrophobicContact CZ-CB 4.19Å; F907-V911 HydrophobicContact CZ-CG1 4.07Å; F907-V911 HydrophobicContact CZ-CG2 3.81Å; F907-V911 VanDerWaalsContact O-CB 3.29Å; F907-V911 WeakPolarHBondContact O-CB 3.46Å; F907-V911 WeakPolarHBondContact O-CG2 3.35Å; F907-V911 PolarHBondContact O-N 2.89Å; E908-V911 PolarHBondContact O-N 2.75Å; V911-E913 VanDerWaalsContact C-N 3.34Å; V911-E913 HydrophobicContact CG1-CG 4.11Å; V911-P936 HydrophobicContact CG1-CG 4.17Å; V911-P936 HydrophobicContact CG2-CG 4.21Å; V911-F938 HydrophobicContact CG2-CZ 4.46Å; V911-L939 HydrophobicContact CG2-CD1 4.16Å; V911-L939 HydrophobicContact CG2-CD2 4.26Å
912	G	89.4	Confident	91.9	Very high	40 Å²	40	34.1 Å²	34.1	41%	0.412	20%	0.197	S	C	.	.	S	Bend	trans	85.7	0.1	-179	0	0	0	0	0	114.8	E908	E908-G912 VanDerWaalsContact O-CA 3.26Å; E908-G912 WeakPolarHBondContact O-CA 3.42Å; E908-G912 PolarHBondContact O-N 3.28Å
913	E	89.6	Confident	91.4	Very high	82 Å²	82	38.4 Å²	38.4	38%	0.383	22%	0.217	S	C	.	.	S	Bend	trans	-145	155.1	175.6	60.7	179.9	-179.3	0	0	110.2	R60 F907 V911	R60-E913 IonicContact CZ-OE2 2.63Å; R60-E913 IonicContact NH1-OE2 2.81Å; R60-E913 PolarHBondContact NH1-OE2 3.05Å; R60-E913 VanDerWaalsContact NH1-OE2 3.1Å; R60-E913 IonicContact NH2-OE2 3.75Å; R60-E913 PolarHBondContact NH2-OE2 3.03Å; F907-E913 VanDerWaalsContact CD1-O 3.23Å; F907-E913 WeakPolarHBondContact CD1-O 3.15Å; F907-E913 WeakPolarHBondContact CE1-O 3.28Å; V911-E913 VanDerWaalsContact C-N 3.34Å; V911-E913 HydrophobicContact CG1-CG 4.11Å
914	P	91.8	Very high	91	Very high	34 Å²	34	39.6 Å²	39.6	22%	0.221	22%	0.223	C	C	.	.			trans	-64.5	152.8	176.8	26.3	-35.5	0	0	0	111.9	E881 F916	E881-P914 HydrophobicContact CB-CB 4.17Å; E881-P914 HydrophobicContact CB-CG 4.35Å; E881-P914 HydrophobicContact CG-CB 4.09Å; E881-P914 HydrophobicContact CG-CG 4.2Å; P914-F916 PolarHBondContact O-N 3.47Å
915	P	94.3	Very high	90.7	Very high	18 Å²	18	39.9 Å²	39.9	12%	0.117	22%	0.224	C	C	.	.	S	Bend	trans	-70.6	-16.2	-177.2	27.4	-32.2	0	0	0	114.4	V904 F907 V933 L951	V904-P915 HydrophobicContact CB-CG 4.5Å; V904-P915 HydrophobicContact CG1-CG 4.25Å; V904-P915 HydrophobicContact CG2-CG 4.17Å; F907-P915 HydrophobicContact CB-CB 4.43Å; F907-P915 HydrophobicContact CB-CG 4.36Å; F907-P915 HydrophobicContact CD1-CB 3.71Å; F907-P915 HydrophobicContact CD1-CG 4.18Å; F907-P915 HydrophobicContact CD2-CB 4.02Å; F907-P915 VanDerWaalsContact CE1-CA 3.48Å; F907-P915 HydrophobicContact CE1-CB 3.86Å; F907-P915 HydrophobicContact CE2-CB 4.15Å; F907-P915 HydrophobicContact CG-CB 3.79Å; F907-P915 HydrophobicContact CG-CG 4.21Å; F907-P915 HydrophobicContact CZ-CB 4.08Å; P915-V933 HydrophobicContact CB-CG1 3.75Å; P915-V933 HydrophobicContact CB-CG2 4.22Å; P915-L951 HydrophobicContact CB-CD1 4.43Å; P915-L951 HydrophobicContact CG-CD1 4.25Å
916	F	94.2	Very high	90.4	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	24%	0.235	C	C	.	.	S	Bend	trans	-127.5	124.7	178.3	-51.6	-70.4	0	0	0	108.1	W900 P914 S927 I928 V933	W900-F916 AromaticContact CH2-CE2 3.57Å; W900-F916 HydrophobicContact CH2-CE2 3.57Å; W900-F916 AromaticContact CH2-CZ 3.79Å; W900-F916 HydrophobicContact CH2-CZ 3.79Å; W900-F916 HydrophobicContact CZ2-CD2 4.06Å; W900-F916 AromaticContact CZ2-CE2 3.32Å; W900-F916 HydrophobicContact CZ2-CE2 3.32Å; W900-F916 HydrophobicContact CZ2-CZ 4.03Å; P914-F916 PolarHBondContact O-N 3.47Å; F916-S927 WeakPolarHBondContact CD1-O 3.36Å; F916-I928 HydrophobicContact CB-CG1 3.71Å; F916-I928 HydrophobicContact CD2-CG1 3.77Å; F916-I928 HydrophobicContact CG-CB 4.48Å; F916-I928 HydrophobicContact CG-CG1 3.82Å; F916-V933 HydrophobicContact CE1-CG2 3.71Å; F916-V933 HydrophobicContact CE2-CG2 4.19Å; F916-V933 HydrophobicContact CZ-CG2 3.33Å
917	S	83.6	Confident	90.1	Very high	75 Å²	75	42.3 Å²	42.3	52%	0.524	24%	0.238	S	C	.	.			trans	-131.1	154.4	-177.4	61.7	0	0	0	0	109.9
918	G	83.5	Confident	89.9	Confident	25 Å²	25	42 Å²	42	26%	0.258	24%	0.237	S	C	.	.			trans	-164.5	161.4	173.7	0	0	0	0	0	109.8	D920	G918-D920 VanDerWaalsContact C-N 3.25Å; G918-D920 PolarHBondContact O-N 2.9Å
919	D	80.1	Confident	89.9	Confident	97 Å²	97	42.6 Å²	42.6	52%	0.519	24%	0.242	S	C	.	.	S	Bend	trans	-73.9	-23.4	-177	-65.5	-5.9	0	0	0	111.1	E923	D919-E923 WeakPolarHBondContact CB-OE2 3.45Å; D919-E923 PolarHBondContact N-OE2 2.87Å
920	D	86.2	Confident	89.6	Confident	81 Å²	81	46.1 Å²	46.1	43%	0.433	26%	0.26	S	S	.	.	S	Bend	trans	-138.7	172.8	172.4	67.5	38.8	0	0	0	113	G918 E922 E923 I924	G918-D920 VanDerWaalsContact C-N 3.25Å; G918-D920 PolarHBondContact O-N 2.9Å; D920-E922 PolarHBondContact O-N 3.4Å; D920-E922 WeakPolarHBondContact OD1-CA 3Å; D920-E922 VanDerWaalsContact OD1-CB 3.3Å; D920-E922 WeakPolarHBondContact OD1-CB 3.42Å; D920-E922 PolarHBondContact OD1-N 2.75Å; D920-E923 PolarHBondContact O-N 2.98Å; D920-E923 PolarHBondContact OD1-N 3.31Å; D920-I924 WeakPolarHBondContact O-CG1 3.34Å; D920-I924 PolarHBondContact O-N 2.89Å
921	E	85.5	Confident	89.4	Confident	102 Å²	102	49.6 Å²	49.6	48%	0.477	28%	0.279	S	S	.	.	H	α-helix	trans	-56.8	-32.7	178.7	-69.6	-175.2	178.8	0	0	112.7	P880 F925	P880-E921 HydrophobicContact CG-CG 4.26Å; E921-F925 HydrophobicContact CB-CE2 3.98Å; E921-F925 HydrophobicContact CB-CZ 4.07Å; E921-F925 WeakPolarHBondContact O-CB 3.39Å; E921-F925 WeakPolarHBondContact O-CD1 3.48Å; E921-F925 WeakPolarHBondContact O-CD2 3.19Å; E921-F925 WeakPolarHBondContact O-CG 3.21Å; E921-F925 PolarHBondContact O-N 3.47Å
922	E	84.9	Confident	89.4	Confident	107 Å²	107	55.4 Å²	55.4	50%	0.5	31%	0.309	S	S	.	.	H	α-helix	trans	-71.5	-41.2	-178.5	-172.5	171.9	177.9	0	0	111.2	L548 D920 F925 D926	L548-E922 HydrophobicContact CD1-CG 4.29Å; D920-E922 PolarHBondContact O-N 3.4Å; D920-E922 WeakPolarHBondContact OD1-CA 3Å; D920-E922 VanDerWaalsContact OD1-CB 3.3Å; D920-E922 WeakPolarHBondContact OD1-CB 3.42Å; D920-E922 PolarHBondContact OD1-N 2.75Å; E922-F925 PolarHBondContact O-N 3.17Å; E922-D926 PolarHBondContact O-N 3.49Å
923	E	88.5	Confident	89.7	Confident	90 Å²	90	54.5 Å²	54.5	42%	0.421	30%	0.296	S	S	.	.	H	α-helix	trans	-66.4	-41.9	173.1	-67.9	-170.9	176	0	0	112.3	D919 D920 F925 D926 S927	D919-E923 WeakPolarHBondContact CB-OE2 3.45Å; D919-E923 PolarHBondContact N-OE2 2.87Å; D920-E923 PolarHBondContact O-N 2.98Å; D920-E923 PolarHBondContact OD1-N 3.31Å; E923-F925 VanDerWaalsContact C-N 3.32Å; E923-F925 PolarHBondContact O-N 2.63Å; E923-D926 PolarHBondContact O-N 2.92Å; E923-S927 WeakPolarHBondContact O-CB 3.09Å; E923-S927 PolarHBondContact O-N 2.78Å
924	I	89.5	Confident	89.9	Confident	25 Å²	25	61 Å²	61	13%	0.128	32%	0.317	C	S	.	.	H	α-helix	trans	-58.4	-47.4	173.8	-67.2	167.8	0	0	0	109.8	E881 D920 D926 S927 I928	E881-I924 HydrophobicContact CB-CG2 4.23Å; D920-I924 WeakPolarHBondContact O-CG1 3.34Å; D920-I924 PolarHBondContact O-N 2.89Å; I924-D926 PolarHBondContact O-N 2.86Å; I924-S927 PolarHBondContact O-N 2.88Å; I924-I928 HydrophobicContact CG2-CD1 3.78Å; I924-I928 HydrophobicContact CG2-CG1 4.42Å; I924-I928 VanDerWaalsContact O-CG1 3.26Å; I924-I928 WeakPolarHBondContact O-CG1 3.14Å; I924-I928 PolarHBondContact O-N 3.36Å
925	F	92	Very high	89.9	Confident	5 Å²	5	61.9 Å²	61.9	2%	0.022	32%	0.316	C	S	.	.	H	α-helix	trans	-63.7	-40.3	178	-63.6	-22	0	0	0	112.5	L548 F876 P880 L883 L888 E921 E922 E923 I928 V929	L548-F925 HydrophobicContact CD1-CB 4.08Å; L548-F925 HydrophobicContact CD2-CB 3.93Å; F876-F925 HydrophobicContact CZ-CZ 4.39Å; P880-F925 HydrophobicContact CB-CE1 3.73Å; P880-F925 HydrophobicContact CB-CZ 4.22Å; P880-F925 HydrophobicContact CG-CE1 4.48Å; L883-F925 HydrophobicContact CD1-CE1 3.93Å; L883-F925 HydrophobicContact CD1-CZ 4.46Å; L888-F925 HydrophobicContact CD1-CB 3.94Å; L888-F925 HydrophobicContact CD1-CD1 3.9Å; L888-F925 HydrophobicContact CD1-CG 4.15Å; L888-F925 HydrophobicContact CD2-CD1 3.7Å; L888-F925 HydrophobicContact CD2-CE1 4.01Å; L888-F925 HydrophobicContact CD2-CG 4.01Å; L888-F925 HydrophobicContact CG-CD1 4.48Å; E921-F925 HydrophobicContact CB-CE2 3.98Å; E921-F925 HydrophobicContact CB-CZ 4.07Å; E921-F925 WeakPolarHBondContact O-CB 3.39Å; E921-F925 WeakPolarHBondContact O-CD1 3.48Å; E921-F925 WeakPolarHBondContact O-CD2 3.19Å; E921-F925 WeakPolarHBondContact O-CG 3.21Å; E921-F925 PolarHBondContact O-N 3.47Å; E922-F925 PolarHBondContact O-N 3.17Å; E923-F925 VanDerWaalsContact C-N 3.32Å; E923-F925 PolarHBondContact O-N 2.63Å; F925-I928 PolarHBondContact O-N 3.48Å; F925-V929 WeakPolarHBondContact O-CG2 3.25Å; F925-V929 PolarHBondContact O-N 2.91Å; F925-V929 VanDerWaalsContact O-N 3.07Å
926	D	89.2	Confident	89.6	Confident	42 Å²	42	62.8 Å²	62.8	23%	0.225	32%	0.322	C	S	.	.	H	α-helix	trans	-64.3	-42.6	176	-164.3	59.3	0	0	0	111.2	P546 L548 E922 E923 I924 V929 N930	P546-D926 WeakPolarHBondContact CA-OD1 3.04Å; P546-D926 HydrophobicContact CB-CB 4.4Å; P546-D926 WeakPolarHBondContact CB-OD1 3.42Å; P546-D926 HydrophobicContact CG-CB 4.45Å; L548-D926 HydrophobicContact CD1-CB 4.34Å; E922-D926 PolarHBondContact O-N 3.49Å; E923-D926 PolarHBondContact O-N 2.92Å; I924-D926 PolarHBondContact O-N 2.86Å; D926-V929 PolarHBondContact O-N 2.82Å; D926-N930 VanDerWaalsContact CG-ND2 3.31Å; D926-N930 WeakPolarHBondContact O-CB 3.25Å; D926-N930 PolarHBondContact O-N 2.79Å; D926-N930 PolarHBondContact O-ND2 2.82Å; D926-N930 PolarHBondContact OD1-ND2 2.88Å
927	S	92.7	Very high	89.4	Confident	10 Å²	10	71.7 Å²	71.7	7%	0.07	36%	0.355	C	S	.	.	H	α-helix	trans	-62.7	-45	176	-168.2	0	0	0	0	111.7	F916 E923 I924 V929 N930 D931	F916-S927 WeakPolarHBondContact CD1-O 3.36Å; E923-S927 WeakPolarHBondContact O-CB 3.09Å; E923-S927 PolarHBondContact O-N 2.78Å; I924-S927 PolarHBondContact O-N 2.88Å; S927-V929 PolarHBondContact O-N 3.43Å; S927-N930 PolarHBondContact O-N 2.92Å; S927-D931 WeakPolarHBondContact CA-OD2 3.44Å; S927-D931 WeakPolarHBondContact CB-OD2 3.41Å; S927-D931 WeakPolarHBondContact O-CB 3.33Å; S927-D931 PolarHBondContact O-N 2.7Å; S927-D931 PolarHBondContact OG-OD2 2.9Å
928	I	94	Very high	89.8	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-58.8	-34.6	174.5	-70.5	167.3	0	0	0	111.9	P880 L883 P885 L888 W900 F916 I924 F925 K953	P880-I928 WeakPolarHBondContact O-CD1 3.02Å; L883-I928 WeakPolarHBondContact O-CG2 2.93Å; P885-I928 HydrophobicContact CB-CG2 4.28Å; L888-I928 HydrophobicContact CD1-CB 3.86Å; L888-I928 HydrophobicContact CD1-CD1 4.26Å; L888-I928 HydrophobicContact CD1-CG2 3.58Å; W900-I928 HydrophobicContact CZ2-CG2 3.99Å; F916-I928 HydrophobicContact CB-CG1 3.71Å; F916-I928 HydrophobicContact CD2-CG1 3.77Å; F916-I928 HydrophobicContact CG-CB 4.48Å; F916-I928 HydrophobicContact CG-CG1 3.82Å; I924-I928 HydrophobicContact CG2-CD1 3.78Å; I924-I928 HydrophobicContact CG2-CG1 4.42Å; I924-I928 VanDerWaalsContact O-CG1 3.26Å; I924-I928 WeakPolarHBondContact O-CG1 3.14Å; I924-I928 PolarHBondContact O-N 3.36Å; F925-I928 PolarHBondContact O-N 3.48Å; I928-K953 WeakPolarHBondContact O-CD 3.46Å; I928-K953 WeakPolarHBondContact O-CE 3.43Å; I928-K953 PolarHBondContact O-NZ 3.06Å
929	V	93.8	Very high	90.3	Very high	27 Å²	27	73.8 Å²	73.8	16%	0.164	35%	0.349	C	S	.	.	H	α-helix	trans	-86.2	-38.4	-178	173.7	0	0	0	0	112.5	L548 L888 T889 F925 D926 S927	L548-V929 HydrophobicContact CD2-CB 4.46Å; L548-V929 HydrophobicContact CD2-CG2 3.85Å; L888-V929 HydrophobicContact CB-CG2 4.01Å; L888-V929 HydrophobicContact CD1-CG2 3.92Å; T889-V929 HydrophobicContact CG2-CB 4.38Å; T889-V929 HydrophobicContact CG2-CG1 3.75Å; T889-V929 HydrophobicContact CG2-CG2 3.62Å; F925-V929 WeakPolarHBondContact O-CG2 3.25Å; F925-V929 PolarHBondContact O-N 2.91Å; F925-V929 VanDerWaalsContact O-N 3.07Å; D926-V929 PolarHBondContact O-N 2.82Å; S927-V929 PolarHBondContact O-N 3.43Å
930	N	90.3	Very high	91	Very high	74 Å²	74	70.4 Å²	70.4	40%	0.396	33%	0.333	S	S	.	.	H	α-helix	trans	-113.2	-30	-164.2	-57	-83.7	0	0	0	114.4	D926 S927	D926-N930 VanDerWaalsContact CG-ND2 3.31Å; D926-N930 WeakPolarHBondContact O-CB 3.25Å; D926-N930 PolarHBondContact O-N 2.79Å; D926-N930 PolarHBondContact O-ND2 2.82Å; D926-N930 PolarHBondContact OD1-ND2 2.88Å; S927-N930 PolarHBondContact O-N 2.92Å
931	D	92.5	Very high	91.6	Very high	81 Å²	81	73.3 Å²	73.3	43%	0.433	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-84.7	146.1	-174.1	-66.8	-19.7	0	0	0	112.2	S927 K953	S927-D931 WeakPolarHBondContact CA-OD2 3.44Å; S927-D931 WeakPolarHBondContact CB-OD2 3.41Å; S927-D931 WeakPolarHBondContact O-CB 3.33Å; S927-D931 PolarHBondContact O-N 2.7Å; S927-D931 PolarHBondContact OG-OD2 2.9Å; D931-K953 WeakPolarHBondContact O-CE 3.48Å; D931-K953 PolarHBondContact O-NZ 2.87Å
932	D	92.6	Very high	92.1	Very high	147 Å²	147	70.1 Å²	70.1	79%	0.786	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-82.2	140.5	167.2	-73.6	-40.6	0	0	0	110.3	R934	D932-R934 PolarHBondContact O-N 2.81Å
933	V	94.9	Very high	92.7	Very high	21 Å²	21	65 Å²	65	13%	0.127	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-65.2	128.8	177	-177.2	0	0	0	0	110	F907 P915 F916 Y935 L951	F907-V933 HydrophobicContact CD2-CG1 3.91Å; F907-V933 HydrophobicContact CE2-CG1 3.55Å; F907-V933 HydrophobicContact CZ-CG1 4.31Å; P915-V933 HydrophobicContact CB-CG1 3.75Å; P915-V933 HydrophobicContact CB-CG2 4.22Å; F916-V933 HydrophobicContact CE1-CG2 3.71Å; F916-V933 HydrophobicContact CE2-CG2 4.19Å; F916-V933 HydrophobicContact CZ-CG2 3.33Å; V933-Y935 HydrophobicContact CB-CE1 4.31Å; V933-Y935 HydrophobicContact CB-CE2 3.84Å; V933-Y935 HydrophobicContact CG1-CD1 4.12Å; V933-Y935 HydrophobicContact CG1-CD2 4.42Å; V933-Y935 HydrophobicContact CG1-CE1 3.58Å; V933-Y935 HydrophobicContact CG1-CE2 3.93Å; V933-Y935 VanDerWaalsContact CG1-CZ 3.48Å; V933-L951 HydrophobicContact CG1-CD1 4.37Å; V933-L951 HydrophobicContact CG2-CB 4.27Å; V933-L951 HydrophobicContact CG2-CD1 3.84Å
934	R	93.1	Very high	93.2	Very high	219 Å²	219	62.5 Å²	62.5	83%	0.826	30%	0.297	S	S	*	.			trans	-91	114.3	174	-64.7	-176.5	-175	-98.1	1.1	109.8	D932 P936	D932-R934 PolarHBondContact O-N 2.81Å; R934-P936 WeakPolarHBondContact O-CD 3.45Å
935	Y	93.6	Very high	93.6	Very high	52 Å²	52	64 Å²	64	20%	0.204	31%	0.31	C	S	.	.			trans	-94.9	119	178.4	-59.9	-77.9	0	0	0	111.1	F907 V933 L939 I944 M947 R948	F907-Y935 HydrophobicContact CD2-CD1 4.2Å; F907-Y935 HydrophobicContact CD2-CE1 4.09Å; F907-Y935 HydrophobicContact CE2-CD1 4.01Å; F907-Y935 HydrophobicContact CE2-CE1 4.24Å; V933-Y935 HydrophobicContact CB-CE1 4.31Å; V933-Y935 HydrophobicContact CB-CE2 3.84Å; V933-Y935 HydrophobicContact CG1-CD1 4.12Å; V933-Y935 HydrophobicContact CG1-CD2 4.42Å; V933-Y935 HydrophobicContact CG1-CE1 3.58Å; V933-Y935 HydrophobicContact CG1-CE2 3.93Å; V933-Y935 VanDerWaalsContact CG1-CZ 3.48Å; Y935-L939 HydrophobicContact CD1-CD1 4.2Å; Y935-I944 HydrophobicContact CD1-CG1 4.26Å; Y935-I944 HydrophobicContact CD1-CG2 4.4Å; Y935-I944 HydrophobicContact CD2-CG2 4.19Å; Y935-I944 HydrophobicContact CG-CG1 4.23Å; Y935-I944 HydrophobicContact CG-CG2 4.09Å; Y935-M947 HydrophobicContact CD1-CE 4.1Å; Y935-M947 HydrophobicContact CE1-CB 3.73Å; Y935-M947 HydrophobicContact CE1-CE 4.16Å; Y935-M947 HydrophobicContact CE1-SD 4.21Å; Y935-R948 HydrophobicContact CD2-CG 4.32Å; Y935-R948 HydrophobicContact CE2-CG 3.44Å; Y935-R948 VanDerWaalsContact CE2-CG 3.44Å; Y935-R948 WeakPolarHBondContact OH-CG 3.4Å; Y935-R948 PolarHBondContact OH-N 2.89Å
936	P	87.6	Confident	93.9	Very high	38 Å²	38	63.9 Å²	63.9	25%	0.247	31%	0.309	C	S	.	.			trans	-58.2	151.1	172.5	-27.4	35.3	0	0	0	113.6	V911 R934 F938 L939	V911-P936 HydrophobicContact CG1-CG 4.17Å; V911-P936 HydrophobicContact CG2-CG 4.21Å; R934-P936 WeakPolarHBondContact O-CD 3.45Å; P936-F938 HydrophobicContact CB-CD1 3.53Å; P936-F938 HydrophobicContact CB-CE1 3.2Å; P936-F938 HydrophobicContact CB-CE2 4.5Å; P936-F938 HydrophobicContact CB-CG 4.32Å; P936-F938 HydrophobicContact CB-CZ 3.75Å; P936-F938 HydrophobicContact CG-CE1 3.81Å; P936-F938 HydrophobicContact CG-CZ 4.02Å; P936-F938 PolarHBondContact O-N 2.74Å; P936-L939 PolarHBondContact O-N 2.61Å
937	R	89.6	Confident	94.3	Very high	187 Å²	187	61.9 Å²	61.9	71%	0.706	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-17.6	-176.3	-67.4	-167.2	-78.5	-164.6	5.4	114.4	L939	R937-L939 VanDerWaalsContact C-N 3.34Å
938	F	91.6	Very high	94.6	Very high	131 Å²	131	69.2 Å²	69.2	58%	0.575	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-15	-179.7	64.9	-104.7	0	0	0	113.4	L910 V911 P936	L910-F938 WeakPolarHBondContact O-CE2 3.44Å; V911-F938 HydrophobicContact CG2-CZ 4.46Å; P936-F938 HydrophobicContact CB-CD1 3.53Å; P936-F938 HydrophobicContact CB-CE1 3.2Å; P936-F938 HydrophobicContact CB-CE2 4.5Å; P936-F938 HydrophobicContact CB-CG 4.32Å; P936-F938 HydrophobicContact CB-CZ 3.75Å; P936-F938 HydrophobicContact CG-CE1 3.81Å; P936-F938 HydrophobicContact CG-CZ 4.02Å; P936-F938 PolarHBondContact O-N 2.74Å
939	L	94	Very high	94.8	Very high	14 Å²	14	73 Å²	73	7%	0.073	34%	0.339	C	S	.	.	S	Bend	trans	-71.7	141.1	178.5	-63.7	173.7	0	0	0	110.9	L910 V911 Y935 P936 R937 I944 M947	L910-L939 HydrophobicContact CB-CD2 3.67Å; L910-L939 HydrophobicContact CD1-CD2 4.07Å; L910-L939 HydrophobicContact CG-CD2 4.42Å; V911-L939 HydrophobicContact CG2-CD1 4.16Å; V911-L939 HydrophobicContact CG2-CD2 4.26Å; Y935-L939 HydrophobicContact CD1-CD1 4.2Å; P936-L939 PolarHBondContact O-N 2.61Å; R937-L939 VanDerWaalsContact C-N 3.34Å; L939-I944 HydrophobicContact CB-CD1 4.01Å; L939-I944 HydrophobicContact CB-CG1 3.79Å; L939-I944 HydrophobicContact CD1-CG1 4.25Å; L939-M947 HydrophobicContact CD1-CE 3.82Å
940	S	96.2	Very high	95	Very high	26 Å²	26	71.7 Å²	71.7	18%	0.182	33%	0.331	C	S	.	.			trans	-65.8	159.5	175.3	80	0	0	0	0	112.4	E815 E942 A943 I944	E815-S940 WeakPolarHBondContact OE1-CB 3.23Å; E815-S940 PolarHBondContact OE1-OG 3.47Å; E815-S940 WeakPolarHBondContact OE2-CB 3.37Å; E815-S940 PolarHBondContact OE2-OG 2.97Å; S940-E942 PolarHBondContact O-N 3.43Å; S940-E942 PolarHBondContact OG-N 3.47Å; S940-A943 PolarHBondContact O-N 2.85Å; S940-A943 WeakPolarHBondContact OG-CB 3.35Å; S940-A943 PolarHBondContact OG-N 3.37Å; S940-I944 WeakPolarHBondContact O-CG1 3.3Å; S940-I944 PolarHBondContact O-N 3.37Å
941	I	96.9	Very high	95.4	Very high	141 Å²	141	68.6 Å²	68.6	72%	0.723	32%	0.315	S	S	*	.	H	α-helix	trans	-61.6	-37.7	175.1	-62	172.4	0	0	0	109.9	S945	I941-S945 WeakPolarHBondContact O-CB 3.37Å; I941-S945 PolarHBondContact O-N 3.01Å
942	E	97.3	Very high	95.7	Very high	35 Å²	35	70.4 Å²	70.4	16%	0.164	32%	0.316	C	S	.	.	H	α-helix	trans	-65.7	-44.8	178.4	-67.3	82.6	172.5	0	0	112.2	S940 S945 I946 R973 R976	S940-E942 PolarHBondContact O-N 3.43Å; S940-E942 PolarHBondContact OG-N 3.47Å; E942-S945 WeakPolarHBondContact O-CB 3.21Å; E942-S945 PolarHBondContact O-N 2.94Å; E942-I946 PolarHBondContact O-N 3.41Å; E942-I946 VanDerWaalsContact O-N 3.08Å; E942-R973 HydrophobicContact CB-CB 4.47Å; E942-R973 HydrophobicContact CG-CB 3.86Å; E942-R976 IonicContact OE1-CZ 3.6Å; E942-R976 IonicContact OE1-NH1 3.09Å; E942-R976 PolarHBondContact OE1-NH1 2.8Å; E942-R976 IonicContact OE1-NH2 2.61Å; E942-R976 PolarHBondContact OE1-NH2 3.33Å; E942-R976 IonicContact OE2-NH2 2.74Å
943	A	97.9	Very high	95.9	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-62.8	-48	175.5	0	0	0	0	0	111.7	L910 S940 S945 I946 M947 F974	L910-A943 HydrophobicContact CD1-CB 3.83Å; S940-A943 PolarHBondContact O-N 2.85Å; S940-A943 WeakPolarHBondContact OG-CB 3.35Å; S940-A943 PolarHBondContact OG-N 3.37Å; A943-S945 VanDerWaalsContact C-N 3.28Å; A943-S945 PolarHBondContact O-N 3.24Å; A943-I946 WeakPolarHBondContact O-CG2 3.32Å; A943-I946 PolarHBondContact O-N 3.39Å; A943-M947 HydrophobicContact CB-CE 4.16Å; A943-M947 VanDerWaalsContact O-CE 3.3Å; A943-M947 WeakPolarHBondContact O-CE 3.44Å; A943-M947 WeakPolarHBondContact O-CG 3.49Å; A943-M947 PolarHBondContact O-N 3.37Å; A943-M947 VanDerWaalsContact O-N 3.12Å; A943-F974 HydrophobicContact CB-CD2 4.05Å; A943-F974 HydrophobicContact CB-CE2 3.98Å
944	I	98	Very high	95.9	Very high	38 Å²	38	69 Å²	69	20%	0.195	30%	0.304	C	S	.	.	H	α-helix	trans	-60.5	-41.1	175.1	-65.7	171.9	0	0	0	110.5	Y935 L939 S940 M947 R948	Y935-I944 HydrophobicContact CD1-CG1 4.26Å; Y935-I944 HydrophobicContact CD1-CG2 4.4Å; Y935-I944 HydrophobicContact CD2-CG2 4.19Å; Y935-I944 HydrophobicContact CG-CG1 4.23Å; Y935-I944 HydrophobicContact CG-CG2 4.09Å; L939-I944 HydrophobicContact CB-CD1 4.01Å; L939-I944 HydrophobicContact CB-CG1 3.79Å; L939-I944 HydrophobicContact CD1-CG1 4.25Å; S940-I944 WeakPolarHBondContact O-CG1 3.3Å; S940-I944 PolarHBondContact O-N 3.37Å; I944-M947 PolarHBondContact O-N 3.48Å; I944-R948 HydrophobicContact CG2-CG 4.03Å; I944-R948 WeakPolarHBondContact O-CB 3.26Å; I944-R948 VanDerWaalsContact O-CG 3.24Å; I944-R948 WeakPolarHBondContact O-CG 3.2Å; I944-R948 PolarHBondContact O-N 2.99Å
945	S	98	Very high	96	Very high	57 Å²	57	59.5 Å²	59.5	40%	0.399	27%	0.271	S	S	.	.	H	α-helix	trans	-61.8	-48.3	-178	-171.6	0	0	0	0	112.4	I941 E942 A943 R949	I941-S945 WeakPolarHBondContact O-CB 3.37Å; I941-S945 PolarHBondContact O-N 3.01Å; E942-S945 WeakPolarHBondContact O-CB 3.21Å; E942-S945 PolarHBondContact O-N 2.94Å; A943-S945 VanDerWaalsContact C-N 3.28Å; A943-S945 PolarHBondContact O-N 3.24Å; S945-R949 WeakPolarHBondContact O-CG 3.24Å; S945-R949 PolarHBondContact O-N 3.33Å
946	I	98.4	Very high	96	Very high	1 Å²	1	61 Å²	61	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-65.1	-46.1	177.8	-173.5	167.5	0	0	0	111.2	I906 E942 A943 R948 R949 L950 L959 Q972 F974 F975	I906-I946 HydrophobicContact CD1-CD1 4.24Å; E942-I946 PolarHBondContact O-N 3.41Å; E942-I946 VanDerWaalsContact O-N 3.08Å; A943-I946 WeakPolarHBondContact O-CG2 3.32Å; A943-I946 PolarHBondContact O-N 3.39Å; I946-R948 PolarHBondContact O-N 3.28Å; I946-R949 PolarHBondContact O-N 3.04Å; I946-L950 HydrophobicContact CD1-CD1 4.23Å; I946-L950 HydrophobicContact CG1-CD1 3.74Å; I946-L950 HydrophobicContact CG1-CG 4.2Å; I946-L950 PolarHBondContact O-N 3.24Å; I946-L959 HydrophobicContact CG1-CD2 4.21Å; I946-Q972 HydrophobicContact CB-CB 4.4Å; I946-Q972 HydrophobicContact CD1-CB 3.9Å; I946-Q972 HydrophobicContact CD1-CG 4.03Å; I946-Q972 HydrophobicContact CG1-CB 4.22Å; I946-Q972 HydrophobicContact CG1-CG 4.04Å; I946-F974 HydrophobicContact CB-CB 3.97Å; I946-F974 HydrophobicContact CB-CG 4.45Å; I946-F974 HydrophobicContact CD1-CB 3.99Å; I946-F974 HydrophobicContact CD1-CD1 3.89Å; I946-F974 HydrophobicContact CD1-CG 4.26Å; I946-F974 HydrophobicContact CG2-CB 3.61Å; I946-F974 HydrophobicContact CG2-CD1 4.02Å; I946-F974 HydrophobicContact CG2-CD2 3.99Å; I946-F974 HydrophobicContact CG2-CG 3.62Å; I946-F975 HydrophobicContact CD1-CD2 4.21Å; I946-F975 HydrophobicContact CD1-CE2 3.51Å; I946-F975 HydrophobicContact CD1-CZ 4.03Å
947	M	98.4	Very high	96.4	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-62	-42.3	-180	-72.2	-173	-79.3	0	0	111.9	I906 F907 L910 Y935 L939 A943 I944 R949 L950 L951	I906-M947 HydrophobicContact CB-CG 4.28Å; I906-M947 HydrophobicContact CG2-CG 3.83Å; I906-M947 HydrophobicContact CG2-SD 4.03Å; F907-M947 WeakPolarHBondContact CA-SD 3.27Å; F907-M947 HydrophobicContact CB-SD 3.57Å; F907-M947 VanDerWaalsContact CB-SD 3.57Å; F907-M947 HydrophobicContact CD2-SD 3.7Å; F907-M947 HydrophobicContact CG-SD 4.08Å; L910-M947 HydrophobicContact CD1-CE 4.04Å; Y935-M947 HydrophobicContact CD1-CE 4.1Å; Y935-M947 HydrophobicContact CE1-CB 3.73Å; Y935-M947 HydrophobicContact CE1-CE 4.16Å; Y935-M947 HydrophobicContact CE1-SD 4.21Å; L939-M947 HydrophobicContact CD1-CE 3.82Å; A943-M947 HydrophobicContact CB-CE 4.16Å; A943-M947 VanDerWaalsContact O-CE 3.3Å; A943-M947 WeakPolarHBondContact O-CE 3.44Å; A943-M947 WeakPolarHBondContact O-CG 3.49Å; A943-M947 PolarHBondContact O-N 3.37Å; A943-M947 VanDerWaalsContact O-N 3.12Å; I944-M947 PolarHBondContact O-N 3.48Å; M947-R949 PolarHBondContact O-N 3.29Å; M947-L950 PolarHBondContact O-N 3.39Å; M947-L951 VanDerWaalsContact O-CB 3.26Å; M947-L951 WeakPolarHBondContact O-CB 3.44Å; M947-L951 WeakPolarHBondContact O-CG 3.21Å; M947-L951 PolarHBondContact O-N 2.92Å
948	R	98	Very high	96.8	Very high	165 Å²	165	57.1 Å²	57.1	62%	0.623	28%	0.279	S	S	*	.	H	α-helix	trans	-62.6	-25.9	176	-75.5	-179.7	81.5	165.6	8.3	113.3	Y935 I944 I946 R952	Y935-R948 HydrophobicContact CD2-CG 4.32Å; Y935-R948 HydrophobicContact CE2-CG 3.44Å; Y935-R948 VanDerWaalsContact CE2-CG 3.44Å; Y935-R948 WeakPolarHBondContact OH-CG 3.4Å; Y935-R948 PolarHBondContact OH-N 2.89Å; I944-R948 HydrophobicContact CG2-CG 4.03Å; I944-R948 WeakPolarHBondContact O-CB 3.26Å; I944-R948 VanDerWaalsContact O-CG 3.24Å; I944-R948 WeakPolarHBondContact O-CG 3.2Å; I944-R948 PolarHBondContact O-N 2.99Å; I946-R948 PolarHBondContact O-N 3.28Å; R948-R952 WeakPolarHBondContact O-CG 3.5Å
949	R	98.3	Very high	97.2	Very high	78 Å²	78	50.9 Å²	50.9	29%	0.294	25%	0.252	S	S	.	.	H	α-helix	trans	-85.4	-37.3	177.6	-70.5	-179.4	67.1	164.3	4.6	112.6	S945 I946 M947 L959 E968 Q972	S945-R949 WeakPolarHBondContact O-CG 3.24Å; S945-R949 PolarHBondContact O-N 3.33Å; I946-R949 PolarHBondContact O-N 3.04Å; M947-R949 PolarHBondContact O-N 3.29Å; R949-L959 HydrophobicContact CB-CB 3.76Å; R949-L959 HydrophobicContact CB-CD2 3.98Å; R949-L959 HydrophobicContact CB-CG 4.5Å; R949-L959 PolarHBondContact O-N 2.91Å; R949-L959 VanDerWaalsContact O-N 3.1Å; R949-E968 IonicContact NH2-OE1 3.35Å; R949-E968 PolarHBondContact NH2-OE1 3.4Å; R949-Q972 VanDerWaalsContact CZ-NE2 3.33Å
950	L	98.6	Very high	97.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-74.4	-37.9	175.5	-67.4	172.6	0	0	0	112.2	W899 L902 I906 I946 M947 R952 R958 L959	W899-L950 HydrophobicContact CB-CD2 4.14Å; W899-L950 WeakPolarHBondContact O-CD2 3.5Å; L902-L950 HydrophobicContact CB-CD1 4.37Å; L902-L950 HydrophobicContact CD2-CD1 4.15Å; L902-L950 HydrophobicContact CG-CD1 4.03Å; I906-L950 HydrophobicContact CD1-CD1 4.01Å; I946-L950 HydrophobicContact CD1-CD1 4.23Å; I946-L950 HydrophobicContact CG1-CD1 3.74Å; I946-L950 HydrophobicContact CG1-CG 4.2Å; I946-L950 PolarHBondContact O-N 3.24Å; M947-L950 PolarHBondContact O-N 3.39Å; L950-R952 PolarHBondContact O-N 3.12Å; L950-R958 WeakPolarHBondContact O-CD 3.37Å; L950-R958 WeakPolarHBondContact O-CG 3.06Å; L950-R958 PolarHBondContact O-NE 3.48Å; L950-L959 HydrophobicContact CD2-CB 4.08Å; L950-L959 HydrophobicContact CD2-CD2 3.87Å; L950-L959 HydrophobicContact CD2-CG 3.95Å; L950-L959 HydrophobicContact CG-CD2 4.06Å
951	L	98.3	Very high	97.3	Very high	10 Å²	10	50 Å²	50	5%	0.052	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	27.2	-179.9	-60.5	176.7	0	0	0	113.1	W900 V904 P915 V933 M947 K953	W900-L951 HydrophobicContact CD2-CD2 3.99Å; W900-L951 HydrophobicContact CE3-CD2 4.04Å; W900-L951 HydrophobicContact CH2-CD2 4.33Å; W900-L951 HydrophobicContact CZ2-CD2 4.28Å; W900-L951 HydrophobicContact CZ3-CB 4.23Å; W900-L951 HydrophobicContact CZ3-CD2 4.22Å; W900-L951 WeakPolarHBondContact CZ3-O 3.47Å; V904-L951 HydrophobicContact CG2-CD2 3.7Å; P915-L951 HydrophobicContact CB-CD1 4.43Å; P915-L951 HydrophobicContact CG-CD1 4.25Å; V933-L951 HydrophobicContact CG1-CD1 4.37Å; V933-L951 HydrophobicContact CG2-CB 4.27Å; V933-L951 HydrophobicContact CG2-CD1 3.84Å; M947-L951 VanDerWaalsContact O-CB 3.26Å; M947-L951 WeakPolarHBondContact O-CB 3.44Å; M947-L951 WeakPolarHBondContact O-CG 3.21Å; M947-L951 PolarHBondContact O-N 2.92Å; L951-K953 PolarHBondContact O-N 2.94Å
952	R	97.9	Very high	97.3	Very high	118 Å²	118	46.3 Å²	46.3	45%	0.445	23%	0.231	S	C	.	.			trans	-71.5	125.2	170.3	-75.5	-178	169.5	-175.2	-0.4	109.5	R948 L950 N954 K957 R958	R948-R952 WeakPolarHBondContact O-CG 3.5Å; L950-R952 PolarHBondContact O-N 3.12Å; R952-N954 VanDerWaalsContact C-N 3.3Å; R952-N954 PolarHBondContact O-N 3.07Å; R952-K957 WeakPolarHBondContact CD-O 3.28Å; R952-K957 PolarHBondContact NH1-O 3.31Å; R952-R958 HydrophobicContact CB-CB 4.26Å; R952-R958 PolarHBondContact O-NE 3.09Å; R952-R958 PolarHBondContact O-NH2 3.15Å
953	K	96.5	Very high	97.3	Very high	58 Å²	58	51.9 Å²	51.9	25%	0.252	26%	0.257	S	S	.	.	S	Bend	trans	-62.6	-35	-178.6	-52.4	-70.7	-175.8	173	0	113.1	P885 W900 I928 D931 L951 P955	P885-K953 HydrophobicContact CB-CD 4.37Å; P885-K953 HydrophobicContact CG-CB 4.12Å; P885-K953 HydrophobicContact CG-CD 4.04Å; P885-K953 WeakPolarHBondContact CG-O 3.48Å; W900-K953 HydrophobicContact CH2-CD 3.84Å; W900-K953 HydrophobicContact CZ3-CD 4.08Å; I928-K953 WeakPolarHBondContact O-CD 3.46Å; I928-K953 WeakPolarHBondContact O-CE 3.43Å; I928-K953 PolarHBondContact O-NZ 3.06Å; D931-K953 WeakPolarHBondContact O-CE 3.48Å; D931-K953 PolarHBondContact O-NZ 2.87Å; L951-K953 PolarHBondContact O-N 2.94Å; K953-P955 WeakPolarHBondContact O-CD 3.46Å
954	N	95.1	Very high	97.2	Very high	80 Å²	80	54.2 Å²	54.2	43%	0.428	28%	0.276	S	S	.	.	S	Bend	trans	-81.6	115.3	174.6	-179.4	-19.7	0	0	0	110.3	R952 A956 K957 R958	R952-N954 VanDerWaalsContact C-N 3.3Å; R952-N954 PolarHBondContact O-N 3.07Å; N954-A956 VanDerWaalsContact C-N 3.3Å; N954-A956 PolarHBondContact O-N 3.13Å; N954-A956 WeakPolarHBondContact OD1-CB 3.26Å; N954-A956 PolarHBondContact OD1-N 2.99Å; N954-K957 HydrophobicContact CB-CB 4.49Å; N954-K957 PolarHBondContact O-N 3.05Å; N954-K957 VanDerWaalsContact O-N 3.12Å; N954-R958 PolarHBondContact O-N 3.03Å
955	P	95.8	Very high	97.2	Very high	20 Å²	20	52.7 Å²	52.7	13%	0.13	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-60.1	-36.1	-177.8	22.6	-32.6	0	0	0	112.9	E886 S896 K953 K957 R958 S961	E886-P955 HydrophobicContact CB-CG 4.25Å; E886-P955 HydrophobicContact CG-CG 4.32Å; S896-P955 WeakPolarHBondContact OG-CB 3.38Å; K953-P955 WeakPolarHBondContact O-CD 3.46Å; P955-K957 PolarHBondContact O-N 3.34Å; P955-K957 VanDerWaalsContact O-N 3.17Å; P955-R958 WeakPolarHBondContact O-CB 3.45Å; P955-R958 PolarHBondContact O-N 2.72Å; P955-R958 VanDerWaalsContact O-N 3.1Å; P955-S961 WeakPolarHBondContact O-CB 3.41Å; P955-S961 PolarHBondContact O-OG 2.9Å
956	A	94.3	Very high	97.2	Very high	85 Å²	85	50 Å²	50	70%	0.702	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-67.2	-18.3	-179.6	0	0	0	0	0	113.9	N954	N954-A956 VanDerWaalsContact C-N 3.3Å; N954-A956 PolarHBondContact O-N 3.13Å; N954-A956 WeakPolarHBondContact OD1-CB 3.26Å; N954-A956 PolarHBondContact OD1-N 2.99Å
957	K	96.3	Very high	97.2	Very high	139 Å²	139	53.7 Å²	53.7	60%	0.604	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-102.3	-5.4	176.5	-65.7	-172.5	178.9	-177.5	0	113	R952 N954 P955	R952-K957 WeakPolarHBondContact CD-O 3.28Å; R952-K957 PolarHBondContact NH1-O 3.31Å; N954-K957 HydrophobicContact CB-CB 4.49Å; N954-K957 PolarHBondContact O-N 3.05Å; N954-K957 VanDerWaalsContact O-N 3.12Å; P955-K957 PolarHBondContact O-N 3.34Å; P955-K957 VanDerWaalsContact O-N 3.17Å
958	R	98.1	Very high	97.2	Very high	3 Å²	3	55.7 Å²	55.7	1%	0.011	28%	0.276	C	S	.	.	S	Bend	trans	-75.1	140.3	-176.7	-174.2	179.9	-58	144.2	5.6	109.9	E886 S896 L950 R952 N954 P955 G960 S961	E886-R958 IonicContact OE1-CZ 3.29Å; E886-R958 IonicContact OE1-NH1 3.04Å; E886-R958 PolarHBondContact OE1-NH1 2.96Å; E886-R958 IonicContact OE1-NH2 3.06Å; E886-R958 IonicContact OE2-CZ 3.19Å; E886-R958 IonicContact OE2-NH1 3.77Å; E886-R958 PolarHBondContact OE2-NH1 2.95Å; E886-R958 IonicContact OE2-NH2 3.6Å; E886-R958 PolarHBondContact OE2-NH2 3.26Å; S896-R958 PolarHBondContact O-NH1 3.28Å; L950-R958 WeakPolarHBondContact O-CD 3.37Å; L950-R958 WeakPolarHBondContact O-CG 3.06Å; L950-R958 PolarHBondContact O-NE 3.48Å; R952-R958 HydrophobicContact CB-CB 4.26Å; R952-R958 PolarHBondContact O-NE 3.09Å; R952-R958 PolarHBondContact O-NH2 3.15Å; N954-R958 PolarHBondContact O-N 3.03Å; P955-R958 WeakPolarHBondContact O-CB 3.45Å; P955-R958 PolarHBondContact O-N 2.72Å; P955-R958 VanDerWaalsContact O-N 3.1Å; R958-G960 PolarHBondContact O-N 3.19Å; R958-S961 WeakPolarHBondContact O-CB 3.44Å; R958-S961 PolarHBondContact O-N 3.38Å; R958-S961 PolarHBondContact O-OG 2.85Å
959	L	98.3	Very high	97.2	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	131.9	175.5	166.2	65.9	0	0	0	110.2	I946 R949 L950 S961 E968 V969 Q972	I946-L959 HydrophobicContact CG1-CD2 4.21Å; R949-L959 HydrophobicContact CB-CB 3.76Å; R949-L959 HydrophobicContact CB-CD2 3.98Å; R949-L959 HydrophobicContact CB-CG 4.5Å; R949-L959 PolarHBondContact O-N 2.91Å; R949-L959 VanDerWaalsContact O-N 3.1Å; L950-L959 HydrophobicContact CD2-CB 4.08Å; L950-L959 HydrophobicContact CD2-CD2 3.87Å; L950-L959 HydrophobicContact CD2-CG 3.95Å; L950-L959 HydrophobicContact CG-CD2 4.06Å; L959-S961 VanDerWaalsContact C-N 3.34Å; L959-E968 HydrophobicContact CD1-CB 3.86Å; L959-E968 HydrophobicContact CD1-CG 3.47Å; L959-E968 VanDerWaalsContact CD1-CG 3.47Å; L959-E968 WeakPolarHBondContact CD1-O 3.25Å; L959-E968 VanDerWaalsContact CD1-OE1 3.3Å; L959-E968 WeakPolarHBondContact CD1-OE1 3.41Å; L959-V969 HydrophobicContact CD1-CG2 4.28Å; L959-V969 HydrophobicContact CD2-CG2 4.5Å; L959-V969 HydrophobicContact CG-CG2 3.95Å; L959-Q972 HydrophobicContact CD1-CG 4.36Å; L959-Q972 HydrophobicContact CD2-CG 3.38Å
960	G	97.7	Very high	97.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.2	-5.7	-177.7	0	0	0	0	0	114.3	W899 R958 T962 D965 E968	W899-G960 VanDerWaalsContact CD1-C 3.43Å; W899-G960 VanDerWaalsContact CD1-O 3.23Å; W899-G960 PolarHBondContact NE1-O 3.24Å; R958-G960 PolarHBondContact O-N 3.19Å; G960-T962 VanDerWaalsContact C-N 3.27Å; G960-T962 PolarHBondContact O-N 3.48Å; G960-D965 WeakPolarHBondContact O-CA 3.42Å; G960-E968 PolarHBondContact N-OE2 3.21Å
961	S	96.1	Very high	97.1	Very high	20 Å²	20	52 Å²	52	14%	0.14	27%	0.267	C	S	.	.			trans	-78.4	-8.3	178.5	-63.2	0	0	0	0	114.5	S896 P955 R958 L959	S896-S961 VanDerWaalsContact CB-OG 3.31Å; S896-S961 WeakPolarHBondContact CB-OG 3.47Å; P955-S961 WeakPolarHBondContact O-CB 3.41Å; P955-S961 PolarHBondContact O-OG 2.9Å; R958-S961 WeakPolarHBondContact O-CB 3.44Å; R958-S961 PolarHBondContact O-N 3.38Å; R958-S961 PolarHBondContact O-OG 2.85Å; L959-S961 VanDerWaalsContact C-N 3.34Å
962	T	96.2	Very high	97	Very high	65 Å²	65	52.2 Å²	52.2	40%	0.399	27%	0.268	S	S	.	.	S	Bend	trans	-79.9	174.5	178.9	63.8	0	0	0	0	111.4	R895 G960 A964 D965 E968	R895-T962 PolarHBondContact NH2-O 3.3Å; R895-T962 VanDerWaalsContact NH2-O 3.12Å; G960-T962 VanDerWaalsContact C-N 3.27Å; G960-T962 PolarHBondContact O-N 3.48Å; T962-A964 PolarHBondContact O-N 3.1Å; T962-D965 PolarHBondContact O-N 2.9Å; T962-E968 PolarHBondContact OG1-OE2 2.97Å
963	E	96.5	Very high	97	Very high	151 Å²	151	55.3 Å²	55.3	71%	0.706	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-32.3	174.4	-170.1	175.5	-167.5	0	0	111.7	F869 R895 D965	F869-E963 HydrophobicContact CD1-CB 3.95Å; F869-E963 HydrophobicContact CD1-CG 4Å; F869-E963 HydrophobicContact CD2-CB 4.23Å; F869-E963 HydrophobicContact CE1-CB 3.91Å; F869-E963 HydrophobicContact CE1-CG 4.38Å; F869-E963 HydrophobicContact CE2-CB 4.19Å; F869-E963 HydrophobicContact CG-CB 4.12Å; F869-E963 HydrophobicContact CG-CG 4.21Å; F869-E963 HydrophobicContact CZ-CB 4.03Å; R895-E963 PolarHBondContact NH2-O 3.45Å; E963-D965 PolarHBondContact O-N 3.22Å
964	A	97.3	Very high	97.1	Very high	50 Å²	50	52.7 Å²	52.7	41%	0.413	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-18.2	177.3	0	0	0	0	0	114	T962 A966 E967	T962-A964 PolarHBondContact O-N 3.1Å; A964-A966 PolarHBondContact O-N 3.46Å; A964-E967 VanDerWaalsContact O-CB 3.29Å; A964-E967 WeakPolarHBondContact O-CB 3.4Å; A964-E967 PolarHBondContact O-N 2.91Å
965	D	98	Very high	97.2	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.027	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	-123.4	168.7	-160.3	62.7	0	0	0	114	H833 R895 W899 G960 T962 E963 E967 E968	H833-D965 WeakPolarHBondContact CB-OD2 3.37Å; H833-D965 IonicContact CE1-OD1 3.33Å; H833-D965 IonicContact CE1-OD2 2.68Å; H833-D965 IonicContact CG-OD2 3.3Å; H833-D965 VanDerWaalsContact ND1-CG 3.29Å; H833-D965 IonicContact ND1-OD1 3.11Å; H833-D965 PolarHBondContact ND1-OD1 3.37Å; H833-D965 IonicContact ND1-OD2 2.8Å; H833-D965 PolarHBondContact ND1-OD2 2.98Å; R895-D965 IonicContact CZ-OD1 2.9Å; R895-D965 VanDerWaalsContact CZ-OD1 3.29Å; R895-D965 IonicContact NE-OD1 2.8Å; R895-D965 PolarHBondContact NE-OD1 2.9Å; R895-D965 IonicContact NH1-OD1 3.9Å; R895-D965 IonicContact NH2-OD1 3.03Å; W899-D965 WeakPolarHBondContact CZ2-OD2 3.4Å; W899-D965 PolarHBondContact NE1-OD1 3.42Å; G960-D965 WeakPolarHBondContact O-CA 3.42Å; T962-D965 PolarHBondContact O-N 2.9Å; E963-D965 PolarHBondContact O-N 3.22Å; D965-E967 PolarHBondContact O-N 3.28Å; D965-E967 VanDerWaalsContact O-N 3.16Å; D965-E968 WeakPolarHBondContact O-CB 3.39Å; D965-E968 PolarHBondContact O-N 2.93Å
966	A	98	Very high	97.2	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-54.5	-31.1	177.6	0	0	0	0	0	113.6	T826 Q830 W899 A964 E968 V969 K970	T826-A966 HydrophobicContact CG2-CB 4.48Å; Q830-A966 HydrophobicContact CB-CB 3.53Å; Q830-A966 HydrophobicContact CG-CB 3.74Å; W899-A966 HydrophobicContact CH2-CB 3.66Å; W899-A966 HydrophobicContact CZ2-CB 3.83Å; A964-A966 PolarHBondContact O-N 3.46Å; A966-E968 PolarHBondContact O-N 2.88Å; A966-V969 WeakPolarHBondContact O-CA 3.4Å; A966-V969 WeakPolarHBondContact O-CB 3.49Å; A966-V969 PolarHBondContact O-N 2.99Å; A966-K970 WeakPolarHBondContact O-CG 3.43Å; A966-K970 PolarHBondContact O-N 3.37Å
967	E	97.7	Very high	97.1	Very high	79 Å²	79	52.1 Å²	52.1	37%	0.369	24%	0.243	S	C	.	.	H	α-helix	trans	-66.3	-23.2	179.5	-64	-59.4	132.8	0	0	112.7	Q830 A964 D965 K970 K971	Q830-E967 PolarHBondContact NE2-OE1 3.14Å; A964-E967 VanDerWaalsContact O-CB 3.29Å; A964-E967 WeakPolarHBondContact O-CB 3.4Å; A964-E967 PolarHBondContact O-N 2.91Å; D965-E967 PolarHBondContact O-N 3.28Å; D965-E967 VanDerWaalsContact O-N 3.16Å; E967-K970 IonicContact OE1-NZ 2.86Å; E967-K970 PolarHBondContact OE1-NZ 2.66Å; E967-K971 VanDerWaalsContact O-CD 3.25Å; E967-K971 WeakPolarHBondContact O-CD 3.34Å; E967-K971 VanDerWaalsContact O-CE 3.26Å; E967-K971 WeakPolarHBondContact O-CE 3.34Å; E967-K971 VanDerWaalsContact O-CG 3.29Å; E967-K971 WeakPolarHBondContact O-CG 3.32Å
968	E	97.3	Very high	96.9	Very high	42 Å²	42	45.9 Å²	45.9	20%	0.196	22%	0.216	C	C	.	.	H	α-helix	trans	-74.6	-39.7	170.2	-158.3	-161.6	155.4	0	0	111.3	R949 L959 G960 T962 D965 A966 K971 Q972	R949-E968 IonicContact NH2-OE1 3.35Å; R949-E968 PolarHBondContact NH2-OE1 3.4Å; L959-E968 HydrophobicContact CD1-CB 3.86Å; L959-E968 HydrophobicContact CD1-CG 3.47Å; L959-E968 VanDerWaalsContact CD1-CG 3.47Å; L959-E968 WeakPolarHBondContact CD1-O 3.25Å; L959-E968 VanDerWaalsContact CD1-OE1 3.3Å; L959-E968 WeakPolarHBondContact CD1-OE1 3.41Å; G960-E968 PolarHBondContact N-OE2 3.21Å; T962-E968 PolarHBondContact OG1-OE2 2.97Å; D965-E968 WeakPolarHBondContact O-CB 3.39Å; D965-E968 PolarHBondContact O-N 2.93Å; A966-E968 PolarHBondContact O-N 2.88Å; E968-K971 PolarHBondContact O-N 3.42Å; E968-Q972 PolarHBondContact O-NE2 2.93Å
969	V	98.2	Very high	96.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.6	-44.4	179.8	-180	0	0	0	0	110.3	T826 W899 L902 L959 A966 K971 Q972 F975	T826-V969 HydrophobicContact CG2-CB 4.38Å; T826-V969 HydrophobicContact CG2-CG1 4Å; W899-V969 HydrophobicContact CD2-CG2 3.99Å; W899-V969 HydrophobicContact CE3-CG1 4.48Å; W899-V969 HydrophobicContact CE3-CG2 3.69Å; W899-V969 HydrophobicContact CH2-CG2 4.08Å; W899-V969 HydrophobicContact CZ2-CG2 4.33Å; W899-V969 HydrophobicContact CZ3-CB 4.23Å; W899-V969 HydrophobicContact CZ3-CG1 4.12Å; W899-V969 HydrophobicContact CZ3-CG2 3.75Å; L902-V969 HydrophobicContact CD2-CG1 4.04Å; L959-V969 HydrophobicContact CD1-CG2 4.28Å; L959-V969 HydrophobicContact CD2-CG2 4.5Å; L959-V969 HydrophobicContact CG-CG2 3.95Å; A966-V969 WeakPolarHBondContact O-CA 3.4Å; A966-V969 WeakPolarHBondContact O-CB 3.49Å; A966-V969 PolarHBondContact O-N 2.99Å; V969-K971 PolarHBondContact O-N 2.93Å; V969-Q972 WeakPolarHBondContact O-CB 3.35Å; V969-Q972 VanDerWaalsContact O-CG 3.29Å; V969-Q972 WeakPolarHBondContact O-CG 3.33Å; V969-Q972 PolarHBondContact O-N 3.36Å; V969-F975 HydrophobicContact CG1-CE2 3.78Å; V969-F975 HydrophobicContact CG1-CZ 4.29Å; V969-F975 WeakPolarHBondContact O-CD2 3.3Å; V969-F975 WeakPolarHBondContact O-CE2 3.48Å
970	K	98.1	Very high	96.1	Very high	22 Å²	22	56.5 Å²	56.5	10%	0.096	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-22.3	178.8	-73.2	-174.8	179.4	170	0	114.7	T826 A966 E967 Q972 W980 W982	T826-K970 HydrophobicContact CG2-CG 4.18Å; A966-K970 WeakPolarHBondContact O-CG 3.43Å; A966-K970 PolarHBondContact O-N 3.37Å; E967-K970 IonicContact OE1-NZ 2.86Å; E967-K970 PolarHBondContact OE1-NZ 2.66Å; K970-Q972 VanDerWaalsContact C-N 3.35Å; K970-W980 VanDerWaalsContact O-CZ3 3.22Å; K970-W980 WeakPolarHBondContact O-CZ3 3.42Å; K970-W982 HydrophobicContact CB-CD2 4.24Å; K970-W982 HydrophobicContact CB-CH2 4.19Å; K970-W982 HydrophobicContact CB-CZ2 3.54Å; K970-W982 HydrophobicContact CD-CD2 3.7Å; K970-W982 HydrophobicContact CD-CE3 4.03Å; K970-W982 HydrophobicContact CD-CG 3.99Å; K970-W982 HydrophobicContact CD-CZ2 4.4Å; K970-W982 HydrophobicContact CD-CZ3 4.48Å; K970-W982 HydrophobicContact CG-CD2 3.72Å; K970-W982 VanDerWaalsContact CG-CE2 3.48Å; K970-W982 HydrophobicContact CG-CE3 3.91Å; K970-W982 HydrophobicContact CG-CG 4.46Å; K970-W982 HydrophobicContact CG-CH2 3.7Å; K970-W982 HydrophobicContact CG-CZ2 3.52Å; K970-W982 HydrophobicContact CG-CZ3 3.89Å; K970-W982 WeakPolarHBondContact O-CZ2 3.42Å; K970-W982 PolarHBondContact O-NE1 2.87Å
971	K	96.8	Very high	96	Very high	144 Å²	144	60.5 Å²	60.5	63%	0.626	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-4.3	-179.9	-68.6	168.4	-172.2	169.3	0	113.7	E967 E968 V969	E967-K971 VanDerWaalsContact O-CD 3.25Å; E967-K971 WeakPolarHBondContact O-CD 3.34Å; E967-K971 VanDerWaalsContact O-CE 3.26Å; E967-K971 WeakPolarHBondContact O-CE 3.34Å; E967-K971 VanDerWaalsContact O-CG 3.29Å; E967-K971 WeakPolarHBondContact O-CG 3.32Å; E968-K971 PolarHBondContact O-N 3.42Å; V969-K971 PolarHBondContact O-N 2.93Å
972	Q	97.6	Very high	96	Very high	14 Å²	14	61.1 Å²	61.1	7%	0.065	28%	0.283	C	S	.	.	S	Bend	trans	-72.7	138.9	-179.9	-61.4	-41.6	-59.8	0	0	112.3	I946 R949 L959 E968 V969 K970 F974 F975 W980	I946-Q972 HydrophobicContact CB-CB 4.4Å; I946-Q972 HydrophobicContact CD1-CB 3.9Å; I946-Q972 HydrophobicContact CD1-CG 4.03Å; I946-Q972 HydrophobicContact CG1-CB 4.22Å; I946-Q972 HydrophobicContact CG1-CG 4.04Å; R949-Q972 VanDerWaalsContact CZ-NE2 3.33Å; L959-Q972 HydrophobicContact CD1-CG 4.36Å; L959-Q972 HydrophobicContact CD2-CG 3.38Å; E968-Q972 PolarHBondContact O-NE2 2.93Å; V969-Q972 WeakPolarHBondContact O-CB 3.35Å; V969-Q972 VanDerWaalsContact O-CG 3.29Å; V969-Q972 WeakPolarHBondContact O-CG 3.33Å; V969-Q972 PolarHBondContact O-N 3.36Å; K970-Q972 VanDerWaalsContact C-N 3.35Å; Q972-F974 PolarHBondContact O-N 3.09Å; Q972-F975 HydrophobicContact CB-CD2 4.31Å; Q972-F975 PolarHBondContact O-N 3.34Å; Q972-W980 WeakPolarHBondContact O-CH2 3.37Å; Q972-W980 VanDerWaalsContact O-CZ3 3.27Å; Q972-W980 WeakPolarHBondContact O-CZ3 3.31Å
973	R	97.3	Very high	96.1	Very high	183 Å²	183	63.4 Å²	63.4	69%	0.691	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-58.1	-22.8	-178.8	-71.2	-173.3	178.2	-179.2	-0.3	114.5	E942 F975 R976	E942-R973 HydrophobicContact CB-CB 4.47Å; E942-R973 HydrophobicContact CG-CB 3.86Å; R973-F975 PolarHBondContact O-N 3.02Å; R973-R976 VanDerWaalsContact O-CB 3.23Å; R973-R976 WeakPolarHBondContact O-CB 3.49Å; R973-R976 WeakPolarHBondContact O-CG 3.3Å; R973-R976 PolarHBondContact O-N 2.84Å
974	F	97.8	Very high	96.1	Very high	2 Å²	2	58 Å²	58	1%	0.009	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-53.5	-42.3	172.8	-178.4	-110.7	0	0	0	111.8	E815 C819 A822 I906 L910 A943 I946 Q972 R976	E815-F974 HydrophobicContact CG-CE2 3.84Å; C819-F974 HydrophobicContact CB-CD1 4.44Å; C819-F974 HydrophobicContact CB-CE1 3.87Å; C819-F974 HydrophobicContact CB-CE2 4.38Å; C819-F974 HydrophobicContact CB-CZ 3.83Å; C819-F974 PolarHBondContact SG-O 2.85Å; A822-F974 HydrophobicContact CB-CE1 4.11Å; I906-F974 HydrophobicContact CD1-CE1 4.13Å; I906-F974 HydrophobicContact CG1-CE1 4.47Å; I906-F974 HydrophobicContact CG2-CE1 4.33Å; I906-F974 HydrophobicContact CG2-CZ 3.96Å; L910-F974 HydrophobicContact CD1-CE2 4.43Å; A943-F974 HydrophobicContact CB-CD2 4.05Å; A943-F974 HydrophobicContact CB-CE2 3.98Å; I946-F974 HydrophobicContact CB-CB 3.97Å; I946-F974 HydrophobicContact CB-CG 4.45Å; I946-F974 HydrophobicContact CD1-CB 3.99Å; I946-F974 HydrophobicContact CD1-CD1 3.89Å; I946-F974 HydrophobicContact CD1-CG 4.26Å; I946-F974 HydrophobicContact CG2-CB 3.61Å; I946-F974 HydrophobicContact CG2-CD1 4.02Å; I946-F974 HydrophobicContact CG2-CD2 3.99Å; I946-F974 HydrophobicContact CG2-CG 3.62Å; Q972-F974 PolarHBondContact O-N 3.09Å; F974-R976 PolarHBondContact O-N 3.5Å; F974-R976 VanDerWaalsContact O-N 3.1Å
975	F	97.9	Very high	96.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-75.9	7.6	178.5	-62.4	-67.3	0	0	0	114.7	A822 I946 V969 Q972 R973 L977 I978 W982	A822-F975 HydrophobicContact CB-CE1 4.02Å; A822-F975 HydrophobicContact CB-CZ 4.37Å; I946-F975 HydrophobicContact CD1-CD2 4.21Å; I946-F975 HydrophobicContact CD1-CE2 3.51Å; I946-F975 HydrophobicContact CD1-CZ 4.03Å; V969-F975 HydrophobicContact CG1-CE2 3.78Å; V969-F975 HydrophobicContact CG1-CZ 4.29Å; V969-F975 WeakPolarHBondContact O-CD2 3.3Å; V969-F975 WeakPolarHBondContact O-CE2 3.48Å; Q972-F975 HydrophobicContact CB-CD2 4.31Å; Q972-F975 PolarHBondContact O-N 3.34Å; R973-F975 PolarHBondContact O-N 3.02Å; F975-L977 PolarHBondContact O-N 2.95Å; F975-I978 HydrophobicContact CB-CD1 4.36Å; F975-I978 HydrophobicContact CB-CG1 4.21Å; F975-I978 HydrophobicContact CD1-CD1 4.26Å; F975-I978 WeakPolarHBondContact O-CG1 3.32Å; F975-I978 PolarHBondContact O-N 3.39Å; F975-W982 HydrophobicContact CB-CH2 4.11Å; F975-W982 HydrophobicContact CB-CZ2 3.6Å; F975-W982 AromaticContact CD1-CH2 3.59Å; F975-W982 HydrophobicContact CD1-CH2 3.59Å; F975-W982 HydrophobicContact CD1-CZ2 4.01Å; F975-W982 AromaticContact CD2-CH2 3.85Å; F975-W982 HydrophobicContact CD2-CH2 3.85Å; F975-W982 AromaticContact CD2-CZ2 3.83Å; F975-W982 HydrophobicContact CD2-CZ2 3.83Å; F975-W982 AromaticContact CE1-CH2 3.89Å; F975-W982 HydrophobicContact CE1-CH2 3.89Å; F975-W982 HydrophobicContact CE2-CH2 4.13Å; F975-W982 AromaticContact CG-CH2 3.57Å; F975-W982 HydrophobicContact CG-CH2 3.57Å; F975-W982 AromaticContact CG-CZ2 3.54Å; F975-W982 HydrophobicContact CG-CZ2 3.54Å; F975-W982 HydrophobicContact CZ-CH2 4.14Å
976	R	96	Very high	96	Very high	114 Å²	114	57.8 Å²	57.8	43%	0.43	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-62.7	-25.1	168.6	80.6	-178.8	179.6	-172.6	-14.5	112	E942 R973 F974 I978 N979 W980	E942-R976 IonicContact OE1-CZ 3.6Å; E942-R976 IonicContact OE1-NH1 3.09Å; E942-R976 PolarHBondContact OE1-NH1 2.8Å; E942-R976 IonicContact OE1-NH2 2.61Å; E942-R976 PolarHBondContact OE1-NH2 3.33Å; E942-R976 IonicContact OE2-NH2 2.74Å; R973-R976 VanDerWaalsContact O-CB 3.23Å; R973-R976 WeakPolarHBondContact O-CB 3.49Å; R973-R976 WeakPolarHBondContact O-CG 3.3Å; R973-R976 PolarHBondContact O-N 2.84Å; F974-R976 PolarHBondContact O-N 3.5Å; F974-R976 VanDerWaalsContact O-N 3.1Å; R976-I978 PolarHBondContact O-N 3.18Å; R976-N979 WeakPolarHBondContact O-CA 3.43Å; R976-N979 PolarHBondContact O-N 3.21Å; R976-W980 HydrophobicContact CB-CZ2 3.86Å
977	L	91.6	Very high	95.9	Very high	60 Å²	60	61.2 Å²	61.2	31%	0.314	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-69.2	-17.9	-178.6	-61.5	176.1	0	0	0	112.7	E815 E816 C819 F975 N979	E815-L977 HydrophobicContact CB-CD1 4.4Å; E815-L977 HydrophobicContact CG-CD1 3.85Å; E816-L977 HydrophobicContact CG-CD1 4.29Å; E816-L977 HydrophobicContact CG-CD2 4.5Å; C819-L977 HydrophobicContact CB-CB 4.11Å; C819-L977 HydrophobicContact CB-CD1 3.98Å; F975-L977 PolarHBondContact O-N 2.95Å; L977-N979 VanDerWaalsContact C-N 3.35Å
978	I	92.6	Very high	95.9	Very high	7 Å²	7	60.6 Å²	60.6	4%	0.036	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-98.1	19.6	167.2	61.7	165.6	0	0	0	112.1	F975 R976 W980 Q981 W982 L985 I990	F975-I978 HydrophobicContact CB-CD1 4.36Å; F975-I978 HydrophobicContact CB-CG1 4.21Å; F975-I978 HydrophobicContact CD1-CD1 4.26Å; F975-I978 WeakPolarHBondContact O-CG1 3.32Å; F975-I978 PolarHBondContact O-N 3.39Å; R976-I978 PolarHBondContact O-N 3.18Å; I978-W980 PolarHBondContact O-N 3.1Å; I978-Q981 PolarHBondContact O-N 2.93Å; I978-W982 HydrophobicContact CD1-CD2 4.27Å; I978-W982 HydrophobicContact CD1-CE3 4.18Å; I978-W982 HydrophobicContact CD1-CH2 4.02Å; I978-W982 HydrophobicContact CD1-CZ2 4.07Å; I978-W982 HydrophobicContact CD1-CZ3 4.08Å; I978-L985 HydrophobicContact CD1-CD2 3.91Å; I978-I990 HydrophobicContact CB-CD1 4.2Å
979	N	90	Very high	95.8	Very high	114 Å²	114	66.5 Å²	66.5	61%	0.61	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	23.9	-179.4	-66.1	-36.1	0	0	0	115.2	R976 L977 Q981	R976-N979 WeakPolarHBondContact O-CA 3.43Å; R976-N979 PolarHBondContact O-N 3.21Å; L977-N979 VanDerWaalsContact C-N 3.35Å; N979-Q981 HydrophobicContact CB-CG 3.98Å; N979-Q981 PolarHBondContact O-N 3.03Å; N979-Q981 VanDerWaalsContact O-N 3.13Å
980	W	90.2	Very high	95.7	Very high	113 Å²	113	68 Å²	68	43%	0.428	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	15.5	-173.8	-44.1	94.6	0	0	0	114.4	K970 Q972 R976 I978 W982	K970-W980 VanDerWaalsContact O-CZ3 3.22Å; K970-W980 WeakPolarHBondContact O-CZ3 3.42Å; Q972-W980 WeakPolarHBondContact O-CH2 3.37Å; Q972-W980 VanDerWaalsContact O-CZ3 3.27Å; Q972-W980 WeakPolarHBondContact O-CZ3 3.31Å; R976-W980 HydrophobicContact CB-CZ2 3.86Å; I978-W980 PolarHBondContact O-N 3.1Å; W980-W982 VanDerWaalsContact O-CD1 3.29Å; W980-W982 PolarHBondContact O-N 2.95Å
981	Q	94.6	Very high	95.6	Very high	85 Å²	85	75 Å²	75	40%	0.397	33%	0.328	S	S	.	.			trans	-85.3	61.5	-176.4	-62.2	-178.4	-46.7	0	0	111.1	I978 N979 E983 D984 L985 I990	I978-Q981 PolarHBondContact O-N 2.93Å; N979-Q981 HydrophobicContact CB-CG 3.98Å; N979-Q981 PolarHBondContact O-N 3.03Å; N979-Q981 VanDerWaalsContact O-N 3.13Å; Q981-E983 VanDerWaalsContact C-N 3.27Å; Q981-E983 PolarHBondContact O-N 2.82Å; Q981-D984 HydrophobicContact CB-CB 3.93Å; Q981-D984 PolarHBondContact NE2-OD2 3.25Å; Q981-D984 PolarHBondContact O-N 3.25Å; Q981-L985 PolarHBondContact O-N 2.83Å; Q981-I990 HydrophobicContact CB-CD1 4.08Å
982	W	97.2	Very high	95.4	Very high	33 Å²	33	68.7 Å²	68.7	13%	0.125	30%	0.302	C	S	.	.	H	α-helix	trans	-57.9	-38.2	-177.4	-67.3	98.8	0	0	0	113.5	T826 L827 K970 F975 I978 W980 L985 L986	T826-W982 HydrophobicContact CG2-CH2 4.2Å; T826-W982 HydrophobicContact CG2-CZ3 4.11Å; L827-W982 HydrophobicContact CD1-CE3 4.15Å; L827-W982 HydrophobicContact CD2-CE3 3.98Å; L827-W982 HydrophobicContact CG-CE3 3.93Å; L827-W982 HydrophobicContact CG-CZ3 4.26Å; K970-W982 HydrophobicContact CB-CD2 4.24Å; K970-W982 HydrophobicContact CB-CH2 4.19Å; K970-W982 HydrophobicContact CB-CZ2 3.54Å; K970-W982 HydrophobicContact CD-CD2 3.7Å; K970-W982 HydrophobicContact CD-CE3 4.03Å; K970-W982 HydrophobicContact CD-CG 3.99Å; K970-W982 HydrophobicContact CD-CZ2 4.4Å; K970-W982 HydrophobicContact CD-CZ3 4.48Å; K970-W982 HydrophobicContact CG-CD2 3.72Å; K970-W982 VanDerWaalsContact CG-CE2 3.48Å; K970-W982 HydrophobicContact CG-CE3 3.91Å; K970-W982 HydrophobicContact CG-CG 4.46Å; K970-W982 HydrophobicContact CG-CH2 3.7Å; K970-W982 HydrophobicContact CG-CZ2 3.52Å; K970-W982 HydrophobicContact CG-CZ3 3.89Å; K970-W982 WeakPolarHBondContact O-CZ2 3.42Å; K970-W982 PolarHBondContact O-NE1 2.87Å; F975-W982 HydrophobicContact CB-CH2 4.11Å; F975-W982 HydrophobicContact CB-CZ2 3.6Å; F975-W982 AromaticContact CD1-CH2 3.59Å; F975-W982 HydrophobicContact CD1-CH2 3.59Å; F975-W982 HydrophobicContact CD1-CZ2 4.01Å; F975-W982 AromaticContact CD2-CH2 3.85Å; F975-W982 HydrophobicContact CD2-CH2 3.85Å; F975-W982 AromaticContact CD2-CZ2 3.83Å; F975-W982 HydrophobicContact CD2-CZ2 3.83Å; F975-W982 AromaticContact CE1-CH2 3.89Å; F975-W982 HydrophobicContact CE1-CH2 3.89Å; F975-W982 HydrophobicContact CE2-CH2 4.13Å; F975-W982 AromaticContact CG-CH2 3.57Å; F975-W982 HydrophobicContact CG-CH2 3.57Å; F975-W982 AromaticContact CG-CZ2 3.54Å; F975-W982 HydrophobicContact CG-CZ2 3.54Å; F975-W982 HydrophobicContact CZ-CH2 4.14Å; I978-W982 HydrophobicContact CD1-CD2 4.27Å; I978-W982 HydrophobicContact CD1-CE3 4.18Å; I978-W982 HydrophobicContact CD1-CH2 4.02Å; I978-W982 HydrophobicContact CD1-CZ2 4.07Å; I978-W982 HydrophobicContact CD1-CZ3 4.08Å; W980-W982 VanDerWaalsContact O-CD1 3.29Å; W980-W982 PolarHBondContact O-N 2.95Å; W982-L985 PolarHBondContact O-N 3Å; W982-L986 WeakPolarHBondContact O-CB 3.45Å; W982-L986 PolarHBondContact O-N 3.11Å
983	E	96.7	Very high	95.1	Very high	112 Å²	112	72 Å²	72	52%	0.523	32%	0.319	S	S	.	.	H	α-helix	trans	-70.5	-41.3	179.1	-165.1	42	-131.2	0	0	110.9	Q981 L985 L986 M987	Q981-E983 VanDerWaalsContact C-N 3.27Å; Q981-E983 PolarHBondContact O-N 2.82Å; E983-L985 VanDerWaalsContact C-N 3.34Å; E983-L985 PolarHBondContact O-N 2.85Å; E983-L986 PolarHBondContact O-N 2.98Å; E983-M987 HydrophobicContact CB-CE 4.27Å; E983-M987 HydrophobicContact CG-CE 3.59Å; E983-M987 WeakPolarHBondContact O-CB 3.48Å; E983-M987 VanDerWaalsContact O-CE 3.31Å; E983-M987 WeakPolarHBondContact O-CE 3.49Å; E983-M987 WeakPolarHBondContact O-CG 3.14Å; E983-M987 PolarHBondContact O-N 2.86Å
984	D	96.9	Very high	94.9	Very high	39 Å²	39	66.2 Å²	66.2	21%	0.209	30%	0.299	C	S	.	.	H	α-helix	trans	-68.2	-33.7	174.3	-67	-35	0	0	0	111.9	Q981 K988 R989 I990	Q981-D984 HydrophobicContact CB-CB 3.93Å; Q981-D984 PolarHBondContact NE2-OD2 3.25Å; Q981-D984 PolarHBondContact O-N 3.25Å; D984-K988 PolarHBondContact O-N 2.68Å; D984-R989 HydrophobicContact CB-CB 3.95Å; D984-R989 WeakPolarHBondContact O-CA 3.41Å; D984-R989 WeakPolarHBondContact O-CB 3.28Å; D984-R989 PolarHBondContact O-N 3.26Å; D984-R989 VanDerWaalsContact OD1-CD 3.31Å; D984-R989 WeakPolarHBondContact OD1-CD 3.31Å; D984-R989 IonicContact OD1-NH1 3.21Å; D984-R989 PolarHBondContact OD1-NH1 3.04Å; D984-I990 HydrophobicContact CB-CG1 4.04Å; D984-I990 PolarHBondContact O-N 2.86Å
985	L	97.1	Very high	94.8	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-62.4	-52.7	170.9	-175.1	58	0	0	0	109.8	F778 F820 L827 I978 Q981 W982 E983 M987 K988 I990	F778-L985 HydrophobicContact CE2-CG 4.14Å; F778-L985 HydrophobicContact CZ-CD1 4.19Å; F778-L985 HydrophobicContact CZ-CG 4.01Å; F778-L985 VanDerWaalsContact CZ-O 3.24Å; F778-L985 WeakPolarHBondContact CZ-O 3.35Å; F820-L985 HydrophobicContact CD2-CD1 4.08Å; F820-L985 HydrophobicContact CE2-CD1 3.55Å; F820-L985 HydrophobicContact CZ-CD1 3.97Å; L827-L985 HydrophobicContact CD1-CB 4.22Å; L827-L985 HydrophobicContact CD1-CD2 3.94Å; L827-L985 HydrophobicContact CD1-CG 4.02Å; I978-L985 HydrophobicContact CD1-CD2 3.91Å; Q981-L985 PolarHBondContact O-N 2.83Å; W982-L985 PolarHBondContact O-N 3Å; E983-L985 VanDerWaalsContact C-N 3.34Å; E983-L985 PolarHBondContact O-N 2.85Å; L985-M987 VanDerWaalsContact C-N 3.31Å; L985-M987 PolarHBondContact O-N 2.81Å; L985-K988 WeakPolarHBondContact O-CA 3.29Å; L985-K988 PolarHBondContact O-N 3.17Å; L985-I990 HydrophobicContact CB-CD1 3.86Å; L985-I990 HydrophobicContact CB-CG1 4.48Å; L985-I990 HydrophobicContact CD1-CB 4.37Å; L985-I990 HydrophobicContact CD1-CD1 4.4Å
986	L	96.7	Very high	94.6	Very high	49 Å²	49	69.9 Å²	69.9	26%	0.257	32%	0.322	S	S	.	.	H	α-helix	trans	-56.8	-42.9	179	-174.3	65.2	0	0	0	112.1	P777 L827 W982 E983 K988	P777-L986 HydrophobicContact CG-CD1 3.73Å; P777-L986 VanDerWaalsContact CG-O 3.29Å; P777-L986 WeakPolarHBondContact CG-O 3.37Å; L827-L986 HydrophobicContact CD1-CB 4.13Å; L827-L986 HydrophobicContact CD1-CD1 4.44Å; W982-L986 WeakPolarHBondContact O-CB 3.45Å; W982-L986 PolarHBondContact O-N 3.11Å; E983-L986 PolarHBondContact O-N 2.98Å; L986-K988 PolarHBondContact O-N 3.38Å
987	M	96.6	Very high	94.5	Very high	74 Å²	74	69.3 Å²	69.3	37%	0.365	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	8.5	176.1	-70.6	-175.2	-70.1	0	0	114.3	E983 L985 R989	E983-M987 HydrophobicContact CB-CE 4.27Å; E983-M987 HydrophobicContact CG-CE 3.59Å; E983-M987 WeakPolarHBondContact O-CB 3.48Å; E983-M987 VanDerWaalsContact O-CE 3.31Å; E983-M987 WeakPolarHBondContact O-CE 3.49Å; E983-M987 WeakPolarHBondContact O-CG 3.14Å; E983-M987 PolarHBondContact O-N 2.86Å; L985-M987 VanDerWaalsContact C-N 3.31Å; L985-M987 PolarHBondContact O-N 2.81Å; M987-R989 VanDerWaalsContact C-N 3.27Å; M987-R989 HydrophobicContact CB-CG 4.1Å; M987-R989 PolarHBondContact O-N 2.69Å; M987-R989 PolarHBondContact SD-NH2 2.68Å
988	K	96.6	Very high	94.6	Very high	65 Å²	65	68.3 Å²	68.3	28%	0.283	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	39.7	-177.5	-64.2	-170.6	173.2	-166.8	0	113.4	P777 F778 D850 Y854 D984 L985 L986	P777-K988 HydrophobicContact CB-CD 4.5Å; P777-K988 HydrophobicContact CB-CG 4.42Å; F778-K988 HydrophobicContact CE1-CG 4.45Å; D850-K988 IonicContact OD2-NZ 2.73Å; D850-K988 PolarHBondContact OD2-NZ 2.84Å; Y854-K988 HydrophobicContact CD1-CB 4.49Å; Y854-K988 HydrophobicContact CD1-CD 4.39Å; Y854-K988 HydrophobicContact CD1-CG 4Å; Y854-K988 HydrophobicContact CD2-CB 4.46Å; Y854-K988 HydrophobicContact CD2-CD 3.7Å; Y854-K988 HydrophobicContact CD2-CG 4.12Å; Y854-K988 HydrophobicContact CE1-CB 3.9Å; Y854-K988 HydrophobicContact CE1-CG 3.9Å; Y854-K988 HydrophobicContact CE2-CB 3.86Å; Y854-K988 HydrophobicContact CE2-CD 3.88Å; Y854-K988 HydrophobicContact CE2-CG 4.02Å; Y854-K988 HydrophobicContact CG-CD 3.99Å; Y854-K988 HydrophobicContact CG-CG 4.11Å; Y854-K988 VanDerWaalsContact OH-C 3.31Å; Y854-K988 PolarHBondContact OH-O 3.47Å; D984-K988 PolarHBondContact O-N 2.68Å; L985-K988 WeakPolarHBondContact O-CA 3.29Å; L985-K988 PolarHBondContact O-N 3.17Å; L986-K988 PolarHBondContact O-N 3.38Å
989	R	96.5	Very high	94.7	Very high	167 Å²	167	78.1 Å²	78.1	63%	0.63	36%	0.362	S	S	*	.			trans	-94.1	-22.3	174.9	-65.2	177.3	-177.2	171.2	0.9	113	D984 M987	D984-R989 HydrophobicContact CB-CB 3.95Å; D984-R989 WeakPolarHBondContact O-CA 3.41Å; D984-R989 WeakPolarHBondContact O-CB 3.28Å; D984-R989 PolarHBondContact O-N 3.26Å; D984-R989 VanDerWaalsContact OD1-CD 3.31Å; D984-R989 WeakPolarHBondContact OD1-CD 3.31Å; D984-R989 IonicContact OD1-NH1 3.21Å; D984-R989 PolarHBondContact OD1-NH1 3.04Å; M987-R989 VanDerWaalsContact C-N 3.27Å; M987-R989 HydrophobicContact CB-CG 4.1Å; M987-R989 PolarHBondContact O-N 2.69Å; M987-R989 PolarHBondContact SD-NH2 2.68Å
990	I	95.7	Very high	94.9	Very high	30 Å²	30	75.3 Å²	75.3	15%	0.154	35%	0.351	C	S	.	.	S	Bend	trans	-79.8	118.5	170	-54.3	-176.5	0	0	0	108.2	F820 Y854 I978 Q981 D984 L985	F820-I990 HydrophobicContact CD2-CG2 4.15Å; F820-I990 HydrophobicContact CE2-CB 4.21Å; F820-I990 HydrophobicContact CE2-CG2 3.82Å; Y854-I990 VanDerWaalsContact CE1-O 3.3Å; Y854-I990 WeakPolarHBondContact CE1-O 3.35Å; Y854-I990 PolarHBondContact OH-O 2.62Å; I978-I990 HydrophobicContact CB-CD1 4.2Å; Q981-I990 HydrophobicContact CB-CD1 4.08Å; D984-I990 HydrophobicContact CB-CG1 4.04Å; D984-I990 PolarHBondContact O-N 2.86Å; L985-I990 HydrophobicContact CB-CD1 3.86Å; L985-I990 HydrophobicContact CB-CG1 4.48Å; L985-I990 HydrophobicContact CD1-CB 4.37Å; L985-I990 HydrophobicContact CD1-CD1 4.4Å
991	K	94.6	Very high	95	Very high	171 Å²	171	73.2 Å²	73.2	74%	0.743	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-64.7	132	179.4	-174.6	-177.3	176.2	-175.3	0	110.6
992	P	94.4	Very high	95	Very high	11 Å²	11	72.4 Å²	72.4	7%	0.071	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-61.3	142.6	174.8	-26	38.4	0	0	0	112.2	F820 E852 Y854 F994	F820-P992 HydrophobicContact CE1-CB 3.95Å; F820-P992 HydrophobicContact CE1-CG 4.2Å; F820-P992 HydrophobicContact CZ-CB 3.97Å; F820-P992 HydrophobicContact CZ-CG 3.87Å; E852-P992 WeakPolarHBondContact O-CG 3.25Å; Y854-P992 HydrophobicContact CD1-CG 3.97Å; Y854-P992 HydrophobicContact CD2-CG 3.8Å; Y854-P992 HydrophobicContact CE1-CG 3.8Å; Y854-P992 HydrophobicContact CE2-CG 3.63Å; Y854-P992 HydrophobicContact CG-CG 3.96Å; P992-F994 VanDerWaalsContact C-N 3.28Å; P992-F994 PolarHBondContact O-N 3.21Å
993	I	91	Very high	94.8	Very high	83 Å²	83	71.7 Å²	71.7	43%	0.426	35%	0.347	S	S	.	.	S	Bend	trans	-70.3	-30.3	-179.4	-66.9	166.4	0	0	0	111.2	E816 R817 F820	E816-I993 HydrophobicContact CB-CD1 3.58Å; E816-I993 WeakPolarHBondContact O-CD1 3.39Å; R817-I993 HydrophobicContact CB-CB 4.48Å; R817-I993 HydrophobicContact CB-CD1 4.49Å; R817-I993 HydrophobicContact CB-CG2 4.13Å; F820-I993 HydrophobicContact CB-CD1 3.95Å
994	F	93.3	Very high	94.7	Very high	61 Å²	61	67.7 Å²	67.7	27%	0.268	33%	0.33	S	S	.	.			trans	-126.3	133.9	176.1	170.6	-93.5	0	0	0	109.4	H807 L849 P992 P996	H807-F994 AromaticContact CE1-CE1 3.42Å; H807-F994 VanDerWaalsContact CE1-CE1 3.42Å; H807-F994 WeakPolarHBondContact CE1-CE1 3.45Å; H807-F994 AromaticContact CE1-CZ 3.61Å; H807-F994 AromaticContact ND1-CE1 3.43Å; H807-F994 WeakPolarHBondContact ND1-CE1 3.49Å; H807-F994 AromaticContact ND1-CZ 3.47Å; H807-F994 WeakPolarHBondContact ND1-CZ 3.41Å; L849-F994 HydrophobicContact CD1-CD1 3.92Å; L849-F994 HydrophobicContact CD1-CE1 3.99Å; P992-F994 VanDerWaalsContact C-N 3.28Å; P992-F994 PolarHBondContact O-N 3.21Å; F994-P996 HydrophobicContact CE1-CB 3.96Å; F994-P996 HydrophobicContact CZ-CB 4.41Å
995	V	95	Very high	94.5	Very high	73 Å²	73	68.8 Å²	68.8	44%	0.442	34%	0.341	S	S	.	.			trans	-118.3	120.6	174.1	-176.7	0	0	0	0	107.3
996	P	93.2	Very high	94.3	Very high	7 Å²	7	69.8 Å²	69.8	5%	0.045	35%	0.346	C	S	.	.			trans	-64.8	145.1	-178.7	26.2	-33	0	0	0	111.2	D850 F994 I998	D850-P996 WeakPolarHBondContact O-CG 3.48Å; F994-P996 HydrophobicContact CE1-CB 3.96Å; F994-P996 HydrophobicContact CZ-CB 4.41Å; P996-I998 HydrophobicContact CB-CD1 4.43Å; P996-I998 HydrophobicContact CG-CD1 3.98Å; P996-I998 PolarHBondContact O-N 2.9Å
997	T	94.1	Very high	94.1	Very high	102 Å²	102	68.2 Å²	68.2	63%	0.626	34%	0.338	S	S	*	.			trans	-78.5	121.7	174.3	-60.4	0	0	0	0	108.9	N1006	T997-N1006 PolarHBondContact O-ND2 2.9Å
998	I	94.3	Very high	93.7	Very high	39 Å²	39	68.2 Å²	68.2	20%	0.2	34%	0.339	C	S	.	.			trans	-134.4	119.6	-177.8	-66.7	160.7	0	0	0	108.6	M800 R851 P996 D1003	M800-I998 HydrophobicContact CB-CD1 3.53Å; M800-I998 HydrophobicContact CB-CG1 4.24Å; M800-I998 HydrophobicContact CE-CG2 3.29Å; M800-I998 HydrophobicContact SD-CD1 4.42Å; M800-I998 HydrophobicContact SD-CG2 4.13Å; R851-I998 HydrophobicContact CB-CD1 3.96Å; R851-I998 HydrophobicContact CG-CD1 3.88Å; P996-I998 HydrophobicContact CB-CD1 4.43Å; P996-I998 HydrophobicContact CG-CD1 3.98Å; P996-I998 PolarHBondContact O-N 2.9Å; I998-D1003 HydrophobicContact CG2-CB 4.4Å
999	R	93.8	Very high	93.3	Very high	213 Å²	213	70.9 Å²	70.9	80%	0.804	35%	0.353	S	S	*	.			trans	-90.8	-31.6	-174.6	-60.1	173.8	-175.6	174.5	3.7	113.3	D1003	R999-D1003 WeakPolarHBondContact CB-OD2 3.43Å; R999-D1003 WeakPolarHBondContact CG-OD2 3.3Å; R999-D1003 PolarHBondContact N-OD2 2.93Å
1000	S	93.9	Very high	92.9	Very high	55 Å²	55	69.3 Å²	69.3	39%	0.385	35%	0.352	S	S	.	.	S	Bend	trans	-157.2	166.3	-179.9	74	0	0	0	0	110.7	M800 E1002 D1003	M800-S1000 WeakPolarHBondContact CE-O 3.46Å; S1000-E1002 PolarHBondContact O-N 3Å; S1000-E1002 PolarHBondContact OG-N 3.06Å; S1000-D1003 WeakPolarHBondContact O-CB 3.05Å; S1000-D1003 PolarHBondContact O-N 3.32Å; S1000-D1003 PolarHBondContact OG-N 3.49Å
1001	P	93.1	Very high	92.8	Very high	69 Å²	69	70.1 Å²	70.1	45%	0.448	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-24.1	172	-28.2	37.9	0	0	0	115.2	Y741 Y798 M800	Y741-P1001 HydrophobicContact CD2-CB 3.57Å; Y741-P1001 HydrophobicContact CE2-CB 3.39Å; Y741-P1001 HydrophobicContact CE2-CG 4.3Å; Y741-P1001 HydrophobicContact CG-CB 4.26Å; Y798-P1001 WeakPolarHBondContact CE1-O 3.49Å; M800-P1001 VanDerWaalsContact CE-CA 3.45Å
1002	E	94.4	Very high	92.7	Very high	67 Å²	67	63.4 Å²	63.4	31%	0.313	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	4.4	176.4	-65.1	-171.4	179.5	0	0	112.6	K717 V719 Y741 S1000 V1004	K717-E1002 IonicContact NZ-OE1 3.55Å; K717-E1002 PolarHBondContact NZ-OE1 3.28Å; V719-E1002 HydrophobicContact CG1-CB 4.18Å; V719-E1002 HydrophobicContact CG1-CG 3.97Å; Y741-E1002 HydrophobicContact CD1-CG 4.33Å; Y741-E1002 HydrophobicContact CE1-CG 3.33Å; Y741-E1002 VanDerWaalsContact OH-CG 3.31Å; Y741-E1002 WeakPolarHBondContact OH-CG 3.43Å; Y741-E1002 PolarHBondContact OH-OE1 3.49Å; S1000-E1002 PolarHBondContact O-N 3Å; S1000-E1002 PolarHBondContact OG-N 3.06Å; E1002-V1004 PolarHBondContact O-N 3.31Å
1003	D	94	Very high	92.6	Very high	19 Å²	19	70.1 Å²	70.1	10%	0.102	36%	0.356	C	S	.	.			trans	-68.1	122	178	-167.6	1.4	0	0	0	110.3	Y798 I998 R999 S1000 S1005	Y798-D1003 PolarHBondContact OH-O 3.13Å; I998-D1003 HydrophobicContact CG2-CB 4.4Å; R999-D1003 WeakPolarHBondContact CB-OD2 3.43Å; R999-D1003 WeakPolarHBondContact CG-OD2 3.3Å; R999-D1003 PolarHBondContact N-OD2 2.93Å; S1000-D1003 WeakPolarHBondContact O-CB 3.05Å; S1000-D1003 PolarHBondContact O-N 3.32Å; S1000-D1003 PolarHBondContact OG-N 3.49Å; D1003-S1005 WeakPolarHBondContact OD1-CB 3.49Å; D1003-S1005 PolarHBondContact OD1-N 2.99Å; D1003-S1005 PolarHBondContact OD1-OG 3.02Å
1004	V	94.3	Very high	92.7	Very high	27 Å²	27	69.4 Å²	69.4	16%	0.164	35%	0.351	C	S	.	.			trans	-119.1	17.3	-180	-63.6	0	0	0	0	111.8	L722 L732 E1002 N1006 F1007 T1012	L722-V1004 HydrophobicContact CD2-CB 4.49Å; L722-V1004 HydrophobicContact CD2-CG1 3.77Å; L732-V1004 HydrophobicContact CD2-CG1 3.81Å; E1002-V1004 PolarHBondContact O-N 3.31Å; V1004-N1006 PolarHBondContact O-N 3.23Å; V1004-N1006 VanDerWaalsContact O-N 3.16Å; V1004-F1007 HydrophobicContact CB-CD2 4.12Å; V1004-F1007 HydrophobicContact CG1-CD2 4.46Å; V1004-F1007 PolarHBondContact O-N 3.26Å; V1004-T1012 HydrophobicContact CB-CG2 3.73Å; V1004-T1012 HydrophobicContact CG2-CG2 3.69Å
1005	S	93	Very high	92.7	Very high	63 Å²	63	71 Å²	71	44%	0.441	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-19.2	-179.3	68.4	0	0	0	0	114.3	D1003 F1007	D1003-S1005 WeakPolarHBondContact OD1-CB 3.49Å; D1003-S1005 PolarHBondContact OD1-N 2.99Å; D1003-S1005 PolarHBondContact OD1-OG 3.02Å; S1005-F1007 VanDerWaalsContact C-N 3.3Å
1006	N	92.7	Very high	92.7	Very high	20 Å²	20	69.3 Å²	69.3	11%	0.107	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	3.5	176.7	-57.2	-51.8	0	0	0	113	M800 G801 G802 T997 V1004	M800-N1006 PolarHBondContact O-ND2 3.35Å; G801-N1006 WeakPolarHBondContact O-CB 3.49Å; G802-N1006 WeakPolarHBondContact CA-O 3.43Å; T997-N1006 PolarHBondContact O-ND2 2.9Å; V1004-N1006 PolarHBondContact O-N 3.23Å; V1004-N1006 VanDerWaalsContact O-N 3.16Å
1007	F	92.2	Very high	92.6	Very high	17 Å²	17	74.4 Å²	74.4	8%	0.075	38%	0.379	C	S	.	.	S	Bend	trans	-110.5	159.5	176	-63.2	-92.7	0	0	0	110.1	L722 Y798 A799 V1004 S1005 E1009 T1012	L722-F1007 HydrophobicContact CB-CD1 3.94Å; L722-F1007 HydrophobicContact CB-CE1 4.08Å; L722-F1007 HydrophobicContact CD1-CE1 4.16Å; L722-F1007 HydrophobicContact CD1-CZ 4.25Å; L722-F1007 HydrophobicContact CD2-CD1 3.93Å; L722-F1007 HydrophobicContact CD2-CD2 3.87Å; L722-F1007 HydrophobicContact CD2-CE1 4.01Å; L722-F1007 HydrophobicContact CD2-CE2 3.97Å; L722-F1007 HydrophobicContact CD2-CG 3.86Å; L722-F1007 HydrophobicContact CD2-CZ 4.03Å; L722-F1007 HydrophobicContact CG-CD1 4.41Å; L722-F1007 HydrophobicContact CG-CE1 4.31Å; Y798-F1007 HydrophobicContact CD2-CZ 4.46Å; Y798-F1007 AromaticContact CE2-CE2 3.72Å; Y798-F1007 HydrophobicContact CE2-CE2 3.72Å; Y798-F1007 AromaticContact CE2-CZ 3.54Å; Y798-F1007 HydrophobicContact CE2-CZ 3.54Å; Y798-F1007 AromaticContact CZ-CE2 3.95Å; Y798-F1007 VanDerWaalsContact OH-CE2 3.3Å; Y798-F1007 WeakPolarHBondContact OH-CE2 3.47Å; A799-F1007 WeakPolarHBondContact O-CZ 3.34Å; V1004-F1007 HydrophobicContact CB-CD2 4.12Å; V1004-F1007 HydrophobicContact CG1-CD2 4.46Å; V1004-F1007 PolarHBondContact O-N 3.26Å; S1005-F1007 VanDerWaalsContact C-N 3.3Å; F1007-E1009 PolarHBondContact O-N 2.97Å; F1007-T1012 HydrophobicContact CB-CG2 3.74Å
1008	D	88.2	Confident	92.4	Very high	73 Å²	73	71.8 Å²	71.8	39%	0.39	36%	0.359	S	S	.	.			trans	-63.2	132.5	-178.5	-153.7	-37.7	0	0	0	111.8	E1010 F1011 T1012	D1008-E1010 HydrophobicContact CB-CG 4.16Å; D1008-E1010 PolarHBondContact O-N 3.13Å; D1008-E1010 PolarHBondContact OD1-N 3.37Å; D1008-F1011 HydrophobicContact CB-CD2 3.71Å; D1008-F1011 HydrophobicContact CB-CE2 3.93Å; D1008-F1011 PolarHBondContact O-N 3.22Å; D1008-T1012 WeakPolarHBondContact O-CG2 3.23Å; D1008-T1012 PolarHBondContact O-N 2.95Å; D1008-T1012 VanDerWaalsContact O-N 3.15Å; D1008-T1012 PolarHBondContact O-OG1 2.97Å
1009	E	88.2	Confident	91.9	Very high	122 Å²	122	71.3 Å²	71.3	57%	0.57	36%	0.359	S	S	*	.	H	α-helix	trans	-63.3	-25.9	179.4	-73.6	-165.7	-173.4	0	0	112.2	F1007 F1011 T1012 K1013	F1007-E1009 PolarHBondContact O-N 2.97Å; E1009-F1011 PolarHBondContact O-N 3.4Å; E1009-T1012 WeakPolarHBondContact CA-OG1 3.21Å; E1009-K1013 WeakPolarHBondContact O-CB 3.16Å; E1009-K1013 WeakPolarHBondContact O-CD 3.32Å; E1009-K1013 VanDerWaalsContact O-CG 3.27Å; E1009-K1013 WeakPolarHBondContact O-CG 3.49Å; E1009-K1013 PolarHBondContact O-N 2.87Å; E1009-K1013 WeakPolarHBondContact OE2-CE 3.34Å; E1009-K1013 IonicContact OE2-NZ 3.48Å; E1009-K1013 PolarHBondContact OE2-NZ 2.95Å
1010	E	88.8	Confident	91.2	Very high	134 Å²	134	65.8 Å²	65.8	63%	0.626	35%	0.351	S	S	*	.	H	α-helix	trans	-63.7	-30.6	177.6	73	170.1	-167.3	0	0	112.8	D1008	D1008-E1010 HydrophobicContact CB-CG 4.16Å; D1008-E1010 PolarHBondContact O-N 3.13Å; D1008-E1010 PolarHBondContact OD1-N 3.37Å
1011	F	91.9	Very high	90	Very high	47 Å²	47	65 Å²	65	21%	0.206	35%	0.345	C	S	.	.	H	α-helix	trans	-90.4	-47.4	178	-54.8	-51.7	0	0	0	111.5	V721 R724 D1008 E1009 K1013 E1014	V721-F1011 HydrophobicContact CG1-CB 4.37Å; V721-F1011 CarbonylContact O-C 3.55Å; V721-F1011 WeakPolarHBondContact O-CB 3.48Å; R724-F1011 HydrophobicContact CB-CD1 4.14Å; R724-F1011 HydrophobicContact CB-CE1 3.89Å; D1008-F1011 HydrophobicContact CB-CD2 3.71Å; D1008-F1011 HydrophobicContact CB-CE2 3.93Å; D1008-F1011 PolarHBondContact O-N 3.22Å; E1009-F1011 PolarHBondContact O-N 3.4Å; F1011-K1013 PolarHBondContact O-N 2.98Å; F1011-K1013 VanDerWaalsContact O-N 3.11Å; F1011-E1014 VanDerWaalsContact O-CB 3.24Å; F1011-E1014 WeakPolarHBondContact O-CB 3.44Å; F1011-E1014 PolarHBondContact O-N 3.43Å
1012	T	93.2	Very high	88.7	Confident	29 Å²	29	69.9 Å²	69.9	18%	0.178	36%	0.359	C	S	.	.	H	α-helix	trans	-65.6	-20.8	-171.6	55.7	0	0	0	0	113.6	S720 V721 V1004 F1007 D1008 E1009	S720-T1012 WeakPolarHBondContact OG-CA 3.29Å; S720-T1012 PolarHBondContact OG-O 3.07Å; V721-T1012 VanDerWaalsContact O-CA 3.3Å; V721-T1012 WeakPolarHBondContact O-CA 3.48Å; V721-T1012 PolarHBondContact O-N 2.99Å; V1004-T1012 HydrophobicContact CB-CG2 3.73Å; V1004-T1012 HydrophobicContact CG2-CG2 3.69Å; F1007-T1012 HydrophobicContact CB-CG2 3.74Å; D1008-T1012 WeakPolarHBondContact O-CG2 3.23Å; D1008-T1012 PolarHBondContact O-N 2.95Å; D1008-T1012 VanDerWaalsContact O-N 3.15Å; D1008-T1012 PolarHBondContact O-OG1 2.97Å; E1009-T1012 WeakPolarHBondContact CA-OG1 3.21Å
1013	K	92.2	Very high	87	Confident	153 Å²	153	72.1 Å²	72.1	67%	0.665	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-16.2	171.5	-70.8	173.4	-174.4	160.4	0	113.9	E1009 F1011	E1009-K1013 WeakPolarHBondContact O-CB 3.16Å; E1009-K1013 WeakPolarHBondContact O-CD 3.32Å; E1009-K1013 VanDerWaalsContact O-CG 3.27Å; E1009-K1013 WeakPolarHBondContact O-CG 3.49Å; E1009-K1013 PolarHBondContact O-N 2.87Å; E1009-K1013 WeakPolarHBondContact OE2-CE 3.34Å; E1009-K1013 IonicContact OE2-NZ 3.48Å; E1009-K1013 PolarHBondContact OE2-NZ 2.95Å; F1011-K1013 PolarHBondContact O-N 2.98Å; F1011-K1013 VanDerWaalsContact O-N 3.11Å
1014	E	92.9	Very high	85.3	Confident	67 Å²	67	83.2 Å²	83.2	31%	0.313	41%	0.413	S	S	.	.	S	Bend	trans	-71.6	141	177.6	-167.2	-177.1	-171.6	0	0	110.9	V721 K729 F1011	V721-E1014 HydrophobicContact CB-CB 4.35Å; V721-E1014 HydrophobicContact CG2-CB 4.09Å; V721-E1014 HydrophobicContact CG2-CG 4.42Å; K729-E1014 VanDerWaalsContact CE-OE2 3.3Å; K729-E1014 WeakPolarHBondContact CE-OE2 3.44Å; K729-E1014 IonicContact NZ-OE1 3.95Å; K729-E1014 PolarHBondContact NZ-OE1 3.26Å; K729-E1014 IonicContact NZ-OE2 3.76Å; K729-E1014 PolarHBondContact NZ-OE2 3.15Å; F1011-E1014 VanDerWaalsContact O-CB 3.24Å; F1011-E1014 WeakPolarHBondContact O-CB 3.44Å; F1011-E1014 PolarHBondContact O-N 3.43Å
1015	V	93.9	Very high	83.8	Confident	96 Å²	96	92.3 Å²	92.3	58%	0.582	45%	0.445	S	S	*	.			trans	-60.4	125.1	174.3	179.7	0	0	0	0	109.9	Q1017	V1015-Q1017 VanDerWaalsContact C-N 3.35Å; V1015-Q1017 HydrophobicContact CG1-CG 4.48Å; V1015-Q1017 PolarHBondContact O-N 3.37Å
1016	P	93.8	Very high	82.6	Confident	36 Å²	36	92.9 Å²	92.9	23%	0.234	45%	0.449	C	S	.	.			trans	-75.1	84.6	-176.2	33.1	-38.8	0	0	0	111	L718 V721 I731	L718-P1016 HydrophobicContact CB-CB 4.05Å; L718-P1016 HydrophobicContact CB-CG 4.43Å; L718-P1016 VanDerWaalsContact CD1-O 3.27Å; L718-P1016 WeakPolarHBondContact CD1-O 3.44Å; V721-P1016 HydrophobicContact CG2-CB 4.3Å; I731-P1016 HydrophobicContact CG2-CB 3.93Å
1017	Q	92.1	Very high	82.1	Confident	115 Å²	115	92.6 Å²	92.6	54%	0.537	45%	0.447	S	S	.	.			trans	-137.6	152.1	178.6	66.8	178.9	0.9	0	0	112.2	V1015 S1019	V1015-Q1017 VanDerWaalsContact C-N 3.35Å; V1015-Q1017 HydrophobicContact CG1-CG 4.48Å; V1015-Q1017 PolarHBondContact O-N 3.37Å; Q1017-S1019 PolarHBondContact O-N 3.34Å
1018	F	90.2	Very high	81.8	Confident	47 Å²	47	94 Å²	94	21%	0.206	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-65.2	130.8	171.2	-64.8	154.6	0	0	0	111.3	I713 I746 T788	I713-F1018 HydrophobicContact CB-CE1 3.96Å; I713-F1018 HydrophobicContact CB-CZ 4.23Å; I713-F1018 HydrophobicContact CD1-CE1 3.61Å; I713-F1018 HydrophobicContact CD1-CE2 4.05Å; I713-F1018 HydrophobicContact CD1-CZ 3.2Å; I713-F1018 HydrophobicContact CG1-CD1 4.42Å; I713-F1018 HydrophobicContact CG1-CE1 3.39Å; I713-F1018 HydrophobicContact CG1-CZ 3.6Å; I713-F1018 HydrophobicContact CG2-CE1 4.44Å; I746-F1018 HydrophobicContact CB-CD2 4.25Å; I746-F1018 HydrophobicContact CB-CE2 4.08Å; I746-F1018 HydrophobicContact CD1-CD2 3.72Å; I746-F1018 HydrophobicContact CD1-CE2 3.34Å; I746-F1018 HydrophobicContact CG1-CD2 4Å; I746-F1018 HydrophobicContact CG1-CE2 3.41Å; I746-F1018 VanDerWaalsContact CG1-CE2 3.41Å; I746-F1018 HydrophobicContact CG1-CZ 4.31Å; I746-F1018 HydrophobicContact CG2-CD2 3.58Å; I746-F1018 HydrophobicContact CG2-CE2 3.62Å; I746-F1018 HydrophobicContact CG2-CG 4.37Å; I746-F1018 HydrophobicContact CG2-CZ 4.34Å; T788-F1018 HydrophobicContact CG2-CE1 4.47Å
1019	S	84.4	Confident	81.7	Confident	29 Å²	29	96 Å²	96	20%	0.203	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-79.3	134.8	174.4	-63.3	0	0	0	0	111.2	K729 K748 H791 Q1017	K729-S1019 WeakPolarHBondContact CE-OG 3.25Å; K729-S1019 PolarHBondContact NZ-OG 3.22Å; K748-S1019 WeakPolarHBondContact CE-O 3.45Å; H791-S1019 PolarHBondContact NE2-O 2.82Å; Q1017-S1019 PolarHBondContact O-N 3.34Å
1020	P	78.8	Confident	81.7	Confident	96 Å²	96	97.1 Å²	97.1	62%	0.623	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-66.4	158.8	174.1	28.1	-34	0	0	0	111.7	K748	K748-P1020 WeakPolarHBondContact CE-O 3.47Å; K748-P1020 PolarHBondContact NZ-O 2.87Å
1021	P	67.7	Low	81.8	Confident	39 Å²	39	93 Å²	93	25%	0.253	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-57.4	141.7	170.7	-21.9	33.1	0	0	0	111.7	A750 D790	A750-P1021 HydrophobicContact CB-CB 4.18Å; D790-P1021 HydrophobicContact CB-CG 4.26Å
1022	K	65.1	Low	81.8	Confident	171 Å²	171	93.1 Å²	93.1	74%	0.743	47%	0.469	S	S	*	.	S	Bend	trans	-69.2	-40.4	176.8	-76.1	-178.2	178.6	175.1	0	111.4
1023	D	60.7	Low	81.7	Confident	114 Å²	114	94.9 Å²	94.9	61%	0.61	49%	0.487	S	S	*	.	S	Bend	trans	-94.1	129.2	176.3	-77.6	-33.4	0	0	0	110.8	R1025	D1023-R1025 PolarHBondContact O-N 3.25Å
1024	R	57.5	Low	81.6	Confident	253 Å²	253	94 Å²	94	96%	0.955	48%	0.48	S	S	*	.			trans	-67.5	3.6	174.5	-67.9	-172.4	177.2	-151	0.2	113.7	S1026	R1024-S1026 VanDerWaalsContact C-N 3.35Å; R1024-S1026 PolarHBondContact O-N 3.5Å
1025	R	62	Low	81.7	Confident	218 Å²	218	90.8 Å²	90.8	82%	0.823	47%	0.465	S	S	*	.			trans	-67.9	99.7	173.9	-169.5	-178.3	-78.8	161	-4.3	107	D1023 V1027	D1023-R1025 PolarHBondContact O-N 3.25Å; R1025-V1027 PolarHBondContact O-N 3.34Å
1026	S	68.2	Low	81.5	Confident	75 Å²	75	95.6 Å²	95.6	52%	0.524	47%	0.473	S	S	.	.			trans	-57.8	132.1	174.7	56.7	0	0	0	0	109.4	R1024 S1028	R1024-S1026 VanDerWaalsContact C-N 3.35Å; R1024-S1026 PolarHBondContact O-N 3.5Å; S1026-S1028 PolarHBondContact O-N 3.16Å; S1026-S1028 VanDerWaalsContact O-N 3.13Å
1027	V	81.9	Confident	81.4	Confident	13 Å²	13	99.7 Å²	99.7	8%	0.079	49%	0.493	C	S	.	.			trans	-55.9	115.2	170.1	-177	0	0	0	0	108.4	K749 A750 L753 R1025 D1031 Q1032	K749-V1027 HydrophobicContact CB-CG2 3.95Å; A750-V1027 HydrophobicContact CB-CG2 4.29Å; L753-V1027 HydrophobicContact CD1-CG1 3.85Å; L753-V1027 HydrophobicContact CD1-CG2 4.25Å; R1025-V1027 PolarHBondContact O-N 3.34Å; V1027-D1031 HydrophobicContact CG1-CB 3.52Å; V1027-Q1032 HydrophobicContact CG1-CG 4.05Å; V1027-Q1032 VanDerWaalsContact CG1-NE2 3.28Å
1028	S	86.8	Confident	81.5	Confident	48 Å²	48	94.2 Å²	94.2	34%	0.336	47%	0.467	S	S	.	.			trans	-70.5	163.5	-177.2	73.6	0	0	0	0	111.3	S1026 M1030 D1031 Q1032	S1026-S1028 PolarHBondContact O-N 3.16Å; S1026-S1028 VanDerWaalsContact O-N 3.13Å; S1028-M1030 PolarHBondContact O-N 2.76Å; S1028-M1030 PolarHBondContact OG-N 3.28Å; S1028-D1031 VanDerWaalsContact CB-OD2 3.27Å; S1028-D1031 WeakPolarHBondContact CB-OD2 3.22Å; S1028-D1031 PolarHBondContact N-OD2 3.43Å; S1028-D1031 WeakPolarHBondContact O-CA 3.42Å; S1028-D1031 WeakPolarHBondContact O-CB 3.2Å; S1028-D1031 PolarHBondContact O-N 2.95Å; S1028-D1031 PolarHBondContact OG-N 2.81Å; S1028-D1031 VanDerWaalsContact OG-N 3.14Å; S1028-D1031 PolarHBondContact OG-OD2 3.04Å; S1028-Q1032 WeakPolarHBondContact O-CG 3.32Å; S1028-Q1032 PolarHBondContact O-N 2.71Å
1029	S	86.1	Confident	81.6	Confident	113 Å²	113	94.5 Å²	94.5	79%	0.79	47%	0.471	S	S	*	.	H	α-helix	trans	-59.7	-30	175.6	-50.4	0	0	0	0	112.7
1030	M	88.1	Confident	81.9	Confident	147 Å²	147	95.9 Å²	95.9	72%	0.724	47%	0.472	S	S	*	.	H	α-helix	trans	-70.4	-39.7	173.5	-171.4	176.4	-69.1	0	0	111	S1028 Q1032 A1033	S1028-M1030 PolarHBondContact O-N 2.76Å; S1028-M1030 PolarHBondContact OG-N 3.28Å; M1030-Q1032 VanDerWaalsContact C-N 3.33Å; M1030-Q1032 PolarHBondContact O-N 2.79Å; M1030-A1033 WeakPolarHBondContact O-CB 3.1Å; M1030-A1033 PolarHBondContact O-N 3.2Å
1031	D	90.4	Very high	82.4	Confident	48 Å²	48	95.1 Å²	95.1	26%	0.257	47%	0.466	S	S	.	.	H	α-helix	trans	-67.2	-33.8	176.7	-59.3	-42.4	0	0	0	112.3	L753 V1027 S1028 A1033 Y1034 F1035	L753-D1031 HydrophobicContact CD1-CB 3.72Å; L753-D1031 HydrophobicContact CD2-CB 4.39Å; V1027-D1031 HydrophobicContact CG1-CB 3.52Å; S1028-D1031 VanDerWaalsContact CB-OD2 3.27Å; S1028-D1031 WeakPolarHBondContact CB-OD2 3.22Å; S1028-D1031 PolarHBondContact N-OD2 3.43Å; S1028-D1031 WeakPolarHBondContact O-CA 3.42Å; S1028-D1031 WeakPolarHBondContact O-CB 3.2Å; S1028-D1031 PolarHBondContact O-N 2.95Å; S1028-D1031 PolarHBondContact OG-N 2.81Å; S1028-D1031 VanDerWaalsContact OG-N 3.14Å; S1028-D1031 PolarHBondContact OG-OD2 3.04Å; D1031-A1033 PolarHBondContact O-N 2.53Å; D1031-Y1034 WeakPolarHBondContact O-CB 3.35Å; D1031-Y1034 WeakPolarHBondContact O-CD2 3.42Å; D1031-Y1034 PolarHBondContact O-N 3.11Å; D1031-F1035 WeakPolarHBondContact O-CD2 3.1Å
1032	Q	91	Very high	83.3	Confident	48 Å²	48	93.8 Å²	93.8	22%	0.224	46%	0.458	C	S	.	.	H	α-helix	trans	-62	-29.7	175.9	-67.9	-66.8	-16.4	0	0	112.4	R789 V1027 S1028 M1030 Y1034 F1035	R789-Q1032 PolarHBondContact O-NE2 2.85Å; V1027-Q1032 HydrophobicContact CG1-CG 4.05Å; V1027-Q1032 VanDerWaalsContact CG1-NE2 3.28Å; S1028-Q1032 WeakPolarHBondContact O-CG 3.32Å; S1028-Q1032 PolarHBondContact O-N 2.71Å; M1030-Q1032 VanDerWaalsContact C-N 3.33Å; M1030-Q1032 PolarHBondContact O-N 2.79Å; Q1032-Y1034 PolarHBondContact O-N 3.07Å; Q1032-F1035 PolarHBondContact O-N 3.06Å
1033	A	91.9	Very high	83.6	Confident	66 Å²	66	92.5 Å²	92.5	55%	0.545	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-62.2	-28.3	-179.3	0	0	0	0	0	112.6	M1030 D1031 F1035 R1036	M1030-A1033 WeakPolarHBondContact O-CB 3.1Å; M1030-A1033 PolarHBondContact O-N 3.2Å; D1031-A1033 PolarHBondContact O-N 2.53Å; A1033-F1035 PolarHBondContact O-N 3.41Å; A1033-R1036 WeakPolarHBondContact O-CB 3.33Å; A1033-R1036 PolarHBondContact O-N 3.43Å
1034	Y	91	Very high	83.4	Confident	134 Å²	134	91.6 Å²	91.6	53%	0.525	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-64.4	-19.9	175.4	-68	-63.6	0	0	0	113.7	L753 M762 D1031 Q1032	L753-Y1034 HydrophobicContact CD2-CD2 4Å; M762-Y1034 WeakPolarHBondContact CE-O 3.43Å; D1031-Y1034 WeakPolarHBondContact O-CB 3.35Å; D1031-Y1034 WeakPolarHBondContact O-CD2 3.42Å; D1031-Y1034 PolarHBondContact O-N 3.11Å; Q1032-Y1034 PolarHBondContact O-N 3.07Å
1035	F	93.7	Very high	82.4	Confident	0 Å²	0	85.8 Å²	85.8	0%	0	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-105.8	7.8	-179	-56.7	-84.2	0	0	0	113.2	K749 I752 L753 V758 L761 Q787 V792 D1031 Q1032 A1033 D1037 F1038	K749-F1035 HydrophobicContact CB-CE2 4.05Å; K749-F1035 HydrophobicContact CB-CZ 3.96Å; K749-F1035 HydrophobicContact CD-CD2 4.01Å; K749-F1035 HydrophobicContact CD-CE2 4.16Å; K749-F1035 HydrophobicContact CD-CG 4.27Å; K749-F1035 HydrophobicContact CG-CD1 4.33Å; K749-F1035 HydrophobicContact CG-CD2 4.22Å; K749-F1035 HydrophobicContact CG-CE1 4.07Å; K749-F1035 HydrophobicContact CG-CE2 3.97Å; K749-F1035 HydrophobicContact CG-CG 4.39Å; K749-F1035 HydrophobicContact CG-CZ 3.88Å; I752-F1035 HydrophobicContact CD1-CE1 4.48Å; I752-F1035 HydrophobicContact CG2-CE1 4.39Å; I752-F1035 HydrophobicContact CG2-CZ 4.44Å; L753-F1035 HydrophobicContact CD1-CE2 4.01Å; L753-F1035 HydrophobicContact CD1-CZ 4.4Å; L753-F1035 HydrophobicContact CD2-CE2 4.04Å; L753-F1035 HydrophobicContact CD2-CZ 4.24Å; L753-F1035 HydrophobicContact CG-CE2 3.99Å; L753-F1035 HydrophobicContact CG-CZ 4Å; V758-F1035 HydrophobicContact CG2-CE1 4.43Å; V758-F1035 HydrophobicContact CG2-CZ 4.13Å; L761-F1035 HydrophobicContact CD2-CD1 3.92Å; L761-F1035 HydrophobicContact CD2-CE1 3.8Å; Q787-F1035 PolarHBondContact NE2-O 3.48Å; Q787-F1035 VanDerWaalsContact OE1-CB 3.31Å; Q787-F1035 PolarHBondContact OE1-O 3.5Å; V792-F1035 HydrophobicContact CG1-CD1 3.73Å; V792-F1035 HydrophobicContact CG1-CE1 4.2Å; V792-F1035 HydrophobicContact CG1-CG 4.43Å; D1031-F1035 WeakPolarHBondContact O-CD2 3.1Å; Q1032-F1035 PolarHBondContact O-N 3.06Å; A1033-F1035 PolarHBondContact O-N 3.41Å; F1035-D1037 VanDerWaalsContact C-N 3.27Å; F1035-D1037 PolarHBondContact O-N 2.79Å; F1035-F1038 WeakPolarHBondContact O-CB 3.14Å; F1035-F1038 PolarHBondContact O-N 2.66Å; F1035-F1038 VanDerWaalsContact O-N 3.07Å
1036	R	91.1	Very high	83.4	Confident	198 Å²	198	79.2 Å²	79.2	75%	0.747	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-40.1	-173.1	-177.2	179.4	179.2	-179.9	-1.2	113.1	A1033 F1038	A1033-R1036 WeakPolarHBondContact O-CB 3.33Å; A1033-R1036 PolarHBondContact O-N 3.43Å; R1036-F1038 VanDerWaalsContact C-N 3.3Å; R1036-F1038 PolarHBondContact O-N 3.1Å
1037	D	91	Very high	84.2	Confident	121 Å²	121	79.4 Å²	79.4	65%	0.647	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	18.6	-176.6	-55.9	-34.1	0	0	0	112.4	K765 F1035	K765-D1037 PolarHBondContact NZ-O 2.96Å; F1035-D1037 VanDerWaalsContact C-N 3.27Å; F1035-D1037 PolarHBondContact O-N 2.79Å
1038	F	93.6	Very high	84.3	Confident	0 Å²	0	83.1 Å²	83.1	0%	0	45%	0.448	C	S	.	.			trans	-76.3	-36.8	-179.1	-174.5	-99.2	0	0	0	113.1	L761 M762 K765 C785 F786 Q787 V792 F794 F1035 R1036	L761-F1038 HydrophobicContact CD1-CE2 4.02Å; L761-F1038 HydrophobicContact CD2-CD2 3.94Å; L761-F1038 HydrophobicContact CD2-CE2 3.94Å; L761-F1038 HydrophobicContact CG-CD2 4.28Å; L761-F1038 HydrophobicContact CG-CE2 3.94Å; M762-F1038 HydrophobicContact CE-CB 4.12Å; M762-F1038 HydrophobicContact SD-CD2 4.35Å; K765-F1038 WeakPolarHBondContact CE-O 3.46Å; C785-F1038 HydrophobicContact CB-CD1 4.03Å; C785-F1038 HydrophobicContact CB-CE1 3.62Å; C785-F1038 HydrophobicContact CB-CZ 3.96Å; C785-F1038 WeakPolarHBondContact CB-O 3.27Å; F786-F1038 WeakPolarHBondContact O-CE1 2.99Å; Q787-F1038 HydrophobicContact CB-CD1 4.25Å; V792-F1038 HydrophobicContact CB-CD1 4.01Å; V792-F1038 HydrophobicContact CB-CD2 4.47Å; V792-F1038 HydrophobicContact CB-CE1 3.61Å; V792-F1038 HydrophobicContact CB-CE2 4.12Å; V792-F1038 HydrophobicContact CB-CG 4.43Å; V792-F1038 HydrophobicContact CB-CZ 3.68Å; V792-F1038 HydrophobicContact CG1-CD1 4.02Å; V792-F1038 HydrophobicContact CG1-CD2 4.41Å; V792-F1038 HydrophobicContact CG1-CE1 4.15Å; V792-F1038 HydrophobicContact CG1-CG 4.16Å; V792-F1038 HydrophobicContact CG1-CZ 4.42Å; V792-F1038 HydrophobicContact CG2-CZ 4.32Å; F794-F1038 HydrophobicContact CD1-CZ 4.25Å; F794-F1038 HydrophobicContact CD2-CZ 4.12Å; F794-F1038 AromaticContact CE1-CE2 3.91Å; F794-F1038 HydrophobicContact CE1-CE2 3.91Å; F794-F1038 AromaticContact CE1-CZ 3.97Å; F794-F1038 HydrophobicContact CE1-CZ 3.97Å; F794-F1038 AromaticContact CE2-CE2 3.96Å; F794-F1038 HydrophobicContact CE2-CE2 3.96Å; F794-F1038 AromaticContact CE2-CZ 3.85Å; F794-F1038 HydrophobicContact CE2-CZ 3.85Å; F794-F1038 HydrophobicContact CG-CZ 4.32Å; F794-F1038 AromaticContact CZ-CE2 3.54Å; F794-F1038 HydrophobicContact CZ-CE2 3.54Å; F794-F1038 AromaticContact CZ-CZ 3.78Å; F794-F1038 HydrophobicContact CZ-CZ 3.78Å; F1035-F1038 WeakPolarHBondContact O-CB 3.14Å; F1035-F1038 PolarHBondContact O-N 2.66Å; F1035-F1038 VanDerWaalsContact O-N 3.07Å; R1036-F1038 VanDerWaalsContact C-N 3.3Å; R1036-F1038 PolarHBondContact O-N 3.1Å
1039	D	92.6	Very high	84.2	Confident	53 Å²	53	85.1 Å²	85.1	28%	0.283	45%	0.454	S	S	.	.			trans	-66.5	139.5	-174.5	-61.6	-15.7	0	0	0	110.9	K765 C785 F786 Q787	K765-D1039 PolarHBondContact NZ-O 2.95Å; C785-D1039 WeakPolarHBondContact O-CA 3.13Å; F786-D1039 WeakPolarHBondContact CA-OD1 3.32Å; Q787-D1039 VanDerWaalsContact CG-OD1 3.3Å; Q787-D1039 WeakPolarHBondContact CG-OD1 3.44Å; Q787-D1039 PolarHBondContact N-OD1 3.03Å; Q787-D1039 PolarHBondContact NE2-OD1 3.12Å; Q787-D1039 PolarHBondContact NE2-OD2 3.2Å
1040	Y	91.3	Very high	84	Confident	59 Å²	59	83.4 Å²	83.4	23%	0.231	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	145.4	-176	168.7	-100.1	0	0	0	109.8	K765 E769 L782 A784 C785 A1042	K765-Y1040 VanDerWaalsContact CE-CB 3.49Å; E769-Y1040 HydrophobicContact CG-CD2 4.21Å; E769-Y1040 HydrophobicContact CG-CE1 4.31Å; E769-Y1040 HydrophobicContact CG-CE2 3.94Å; L782-Y1040 HydrophobicContact CD2-CD1 3.93Å; L782-Y1040 HydrophobicContact CD2-CE1 4.13Å; A784-Y1040 CarbonylContact C-O 3.18Å; A784-Y1040 WeakPolarHBondContact CA-O 3.46Å; A784-Y1040 VanDerWaalsContact CB-O 3.31Å; A784-Y1040 WeakPolarHBondContact CB-O 3.38Å; C785-Y1040 PolarHBondContact N-O 3.42Å; C785-Y1040 PolarHBondContact O-N 2.85Å; C785-Y1040 VanDerWaalsContact O-O 3.07Å; Y1040-A1042 HydrophobicContact CE1-CB 3.86Å; Y1040-A1042 WeakPolarHBondContact OH-CA 3.34Å
1041	V	89.7	Confident	83.8	Confident	79 Å²	79	79.1 Å²	79.1	48%	0.479	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	127.1	169.9	-178.6	0	0	0	0	106.5	A784	A784-V1041 HydrophobicContact CB-CG2 4.17Å
1042	A	85.4	Confident	83.3	Confident	12 Å²	12	81.4 Å²	81.4	10%	0.099	43%	0.425	C	S	.	.			trans	-72.2	139.7	178.1	0	0	0	0	0	110.7	Y783 Y1040 I1044	Y783-A1042 WeakPolarHBondContact O-CB 3.07Å; Y783-A1042 PolarHBondContact O-N 3.44Å; Y1040-A1042 HydrophobicContact CE1-CB 3.86Å; Y1040-A1042 WeakPolarHBondContact OH-CA 3.34Å; A1042-I1044 VanDerWaalsContact C-N 3.26Å; A1042-I1044 HydrophobicContact CB-CD1 4Å; A1042-I1044 HydrophobicContact CB-CG1 3.86Å; A1042-I1044 PolarHBondContact O-N 3.12Å
1043	D	72.4	Confident	82.7	Confident	143 Å²	143	83.9 Å²	83.9	77%	0.765	44%	0.44	S	S	*	.			trans	-70.9	84.2	169.8	-80.2	-27.3	0	0	0	109.5	S1045	D1043-S1045 PolarHBondContact O-N 2.72Å
1044	I	56.8	Low	81.9	Confident	96 Å²	96	85.4 Å²	85.4	49%	0.492	43%	0.432	S	S	.	.			trans	-91.2	84.1	179	-61.2	163.8	0	0	0	107.3	Y783 A1042	Y783-I1044 HydrophobicContact CD2-CD1 3.01Å; Y783-I1044 HydrophobicContact CD2-CG1 4.48Å; Y783-I1044 HydrophobicContact CE2-CD1 3.26Å; Y783-I1044 HydrophobicContact CE2-CG1 4.49Å; Y783-I1044 HydrophobicContact CG-CD1 3.78Å; A1042-I1044 VanDerWaalsContact C-N 3.26Å; A1042-I1044 HydrophobicContact CB-CD1 4Å; A1042-I1044 HydrophobicContact CB-CG1 3.86Å; A1042-I1044 PolarHBondContact O-N 3.12Å
1045	S	35	Very low	81.1	Confident	130 Å²	130	81 Å²	81	91%	0.909	42%	0.423	S	S	*	.			trans	-123.8	0	172	63.8	0	0	0	0	113.1	K689 D1043	K689-S1045 PolarHBondContact NZ-OXT 3.15Å; D1043-S1045 PolarHBondContact O-N 2.72Å

Retrieved 1,045 of 1,045 residues in 1341.2 ms (Link to these results)

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