G4VCF8_SCHMA Loading...

Exocyst complex component 8

Component of the exocyst complex involved in the docking of exocytic vesicles with fusion sites on the plasma membrane.

AlphaFold DB , UniProt , Accession G4VCF8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 833 aa.

						>G4VCF8_SCHMA|G4VCF8
MSAQTKQTRSVVGFEVSDIGGLRRVFAKPTFNSDKFAKNVSKSGDTATSNMLEKVNIISSEAASKMKRAVFENYKLFIKAGKAASQLENTMHQIHNEFTEKQRVMNALTELSLFGDIITDVSASERAMSISQVDEKAENLPSSEHSGISATQLAELVEGASVLVGDSSRRVIFDGDLRELSMGDFTFVCMARVFVLTDTLVIAYHSQSASPYPYRLQSTYDLNNFAVANFPPMDRLQTPNNAFKLIVFPTNRLFQTETPSDKKRWLTLLEETMRKYRNTNSYVASNLKSNPHITTNSYDVLDNNSMKLTMLPPKISAEVVVAGHKALSSTLPDCVDLLTPIDKLDLSAKKNPFDDPHETIKSPTAKVGSHKSRHNWLWDVPEDLDVAISERNFQRATNLIVKAKESLNQILTEDISKPSMDTNIQSSNSSTSGQISDTVDHRSKTDWEKLSKRIERNERNLTESLQYELVSAACRHGAPKSVKAAVSQLGLLGKASLAAELFLVYRSQVMTKSLTHGVHQEGNQLIYLNKLSLTFHRNLAETAVEWCQSVVKPLGEILASKTNGISPQQFENICSLKFYSWTLEETEKFGQQLRVLLIDSHAVSFYSMAYAAQRIKAHANKLTELLSVDISSTLNRSLSRAWKRAADEQSRLLCEAVENRAKQESWETLSNLPKGEQDKIIADLMEFGILNQYTAADYGLKLTMSTYYLIRSLRQFIQSIHLLNCSELDLTLTSCFVQTLNSELDCFERVSPIDISDPARQSIIIINLEFLIKSIVPKFSHILNCSENSTIQQLVSNLKASLQSIKGLEEEEVAVVATAAAKKSNVVDEEDVI
					

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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	35.8	Very low	33.6	Very low	246 Å²	246	157.3 Å²	157.3	100%	1.212	85%	0.845	S	S	*	*				0	133.8	0	-86.1	-170	159.2	0	0	109.2
2	S	36.7	Very low	33.6	Very low	119 Å²	119	153.2 Å²	153.2	83%	0.832	83%	0.829	S	S	*	*			trans	64.6	94.5	174	-67	0	0	0	0	119.4
3	A	35.8	Very low	33.6	Very low	96 Å²	96	146.2 Å²	146.2	79%	0.793	82%	0.815	S	S	*	*			trans	-59.9	125.9	155.7	0	0	0	0	0	110.9
4	Q	37	Very low	34	Very low	178 Å²	178	147.4 Å²	147.4	83%	0.832	81%	0.808	S	S	*	*			trans	-103	94	165	-84.7	-175.2	-6.4	0	0	109.4	K6	Q4-K6 PolarHBondContact O-N 2.68Å; Q4-K6 VanDerWaalsContact O-N 3.14Å
5	T	35.1	Very low	34.6	Very low	122 Å²	122	149.4 Å²	149.4	75%	0.748	81%	0.809	S	S	*	*			trans	-73.8	92	169.8	-37.8	0	0	0	0	108.7	Q7	T5-Q7 PolarHBondContact O-N 2.92Å; T5-Q7 VanDerWaalsContact O-N 3.12Å
6	K	34.6	Very low	35.6	Very low	183 Å²	183	142.1 Å²	142.1	80%	0.796	77%	0.771	S	S	*	*			trans	-76.4	90	167.6	-89.8	-179.7	176.4	175.2	0	109.1	Q4 T8	Q4-K6 PolarHBondContact O-N 2.68Å; Q4-K6 VanDerWaalsContact O-N 3.14Å; K6-T8 PolarHBondContact O-N 3.21Å; K6-T8 VanDerWaalsContact O-N 3.09Å
7	Q	31.5	Very low	36.7	Very low	180 Å²	180	137.7 Å²	137.7	84%	0.841	75%	0.753	S	S	*	*			trans	-69.8	94.9	164.3	-87.8	175.2	-19.3	0	0	109.4	T5 R9	T5-Q7 PolarHBondContact O-N 2.92Å; T5-Q7 VanDerWaalsContact O-N 3.12Å; Q7-R9 PolarHBondContact O-N 3.45Å
8	T	33.4	Very low	38.1	Very low	130 Å²	130	136.9 Å²	136.9	80%	0.798	75%	0.748	S	S	*	*			trans	-71	104.9	164.6	42	0	0	0	0	108.9	K6 S10	K6-T8 PolarHBondContact O-N 3.21Å; K6-T8 VanDerWaalsContact O-N 3.09Å; T8-S10 PolarHBondContact O-N 3.19Å
9	R	27.6	Very low	39.3	Very low	237 Å²	237	133.1 Å²	133.1	89%	0.894	73%	0.726	S	S	*	*			trans	-47	100.2	173.1	-167.4	177	-168.9	170.5	2.8	110.8	Q7 V11	Q7-R9 PolarHBondContact O-N 3.45Å; R9-V11 PolarHBondContact O-N 3.01Å
10	S	29.4	Very low	40.4	Very low	103 Å²	103	128.6 Å²	128.6	72%	0.72	71%	0.712	S	S	*	*			trans	-66.8	119.7	169.6	67.8	0	0	0	0	108.1	T8 V12	T8-S10 PolarHBondContact O-N 3.19Å; S10-V12 PolarHBondContact O-N 3.34Å; S10-V12 VanDerWaalsContact O-N 3.12Å
11	V	32.4	Very low	41.7	Very low	136 Å²	136	123.6 Å²	123.6	82%	0.824	69%	0.69	S	S	*	*			trans	-67.6	110.7	173.8	175.2	0	0	0	0	105.9	R9 G13	R9-V11 PolarHBondContact O-N 3.01Å; V11-G13 VanDerWaalsContact C-N 3.31Å; V11-G13 PolarHBondContact O-N 3.45Å
12	V	33.4	Very low	43.3	Very low	108 Å²	108	111.9 Å²	111.9	66%	0.655	63%	0.632	S	S	*	*			trans	-56.3	94	176.4	179.2	0	0	0	0	108.5	S10 F14	S10-V12 PolarHBondContact O-N 3.34Å; S10-V12 VanDerWaalsContact O-N 3.12Å; V12-F14 HydrophobicContact CG1-CD2 3.91Å; V12-F14 HydrophobicContact CG1-CE2 3.96Å; V12-F14 PolarHBondContact O-N 3.1Å; V12-F14 VanDerWaalsContact O-N 3.09Å
13	G	34.6	Very low	44.7	Very low	63 Å²	63	110.4 Å²	110.4	65%	0.649	61%	0.608	S	S	*	*			trans	-66.8	100.6	164.2	0	0	0	0	0	106.8	V11 E15	V11-G13 VanDerWaalsContact C-N 3.31Å; V11-G13 PolarHBondContact O-N 3.45Å; G13-E15 PolarHBondContact O-N 3.14Å
14	F	38.5	Very low	46.3	Very low	163 Å²	163	115.3 Å²	115.3	72%	0.715	61%	0.606	S	S	*	*			trans	-63.6	101.5	169.6	-95.1	-96.8	0	0	0	107.4	V12 V16	V12-F14 HydrophobicContact CG1-CD2 3.91Å; V12-F14 HydrophobicContact CG1-CE2 3.96Å; V12-F14 PolarHBondContact O-N 3.1Å; V12-F14 VanDerWaalsContact O-N 3.09Å; F14-V16 HydrophobicContact CB-CG2 4Å; F14-V16 WeakPolarHBondContact O-CG2 3.41Å; F14-V16 PolarHBondContact O-N 3.47Å
15	E	43.1	Very low	48	Very low	177 Å²	177	108.4 Å²	108.4	83%	0.827	58%	0.576	S	S	*	*			trans	-64.1	89.2	161.4	-78.7	-176	157.6	0	0	107.6	G13 S17	G13-E15 PolarHBondContact O-N 3.14Å; E15-S17 PolarHBondContact O-N 2.81Å
16	V	50.4	Low	49.9	Very low	32 Å²	32	105.8 Å²	105.8	19%	0.194	56%	0.555	C	S	.	*			trans	-80.7	62.6	174.9	-165.1	0	0	0	0	108.2	F14 L22 V25	F14-V16 HydrophobicContact CB-CG2 4Å; F14-V16 WeakPolarHBondContact O-CG2 3.41Å; F14-V16 PolarHBondContact O-N 3.47Å; V16-L22 HydrophobicContact CG1-CB 4.37Å; V16-L22 HydrophobicContact CG1-CD2 3.85Å; V16-L22 HydrophobicContact CG1-CG 3.81Å; V16-L22 VanDerWaalsContact CG1-N 3.28Å; V16-V25 HydrophobicContact CG1-CG2 4.29Å; V16-V25 HydrophobicContact CG2-CG2 4.03Å
17	S	55.4	Low	51.7	Low	68 Å²	68	101 Å²	101	48%	0.476	55%	0.549	S	S	.	.			trans	-79.6	-23.1	-178.5	-61.5	0	0	0	0	112.2	E15 K54	E15-S17 PolarHBondContact O-N 2.81Å; S17-K54 PolarHBondContact O-NZ 3.29Å
18	D	61.4	Low	53.8	Low	124 Å²	124	97.8 Å²	97.8	66%	0.663	53%	0.533	S	S	*	.	S	Bend	trans	-96.6	143.1	-178.4	-86.1	-19.2	0	0	0	114.1	G20 G21 L22	D18-G20 PolarHBondContact O-N 3.12Å; D18-G21 WeakPolarHBondContact O-CA 3.33Å; D18-G21 PolarHBondContact O-N 3.4Å; D18-L22 PolarHBondContact O-N 2.97Å; D18-L22 VanDerWaalsContact O-N 3.09Å
19	I	61.5	Low	55.6	Low	64 Å²	64	98.1 Å²	98.1	33%	0.328	54%	0.537	S	S	.	.	H	α-helix	trans	-53	-35.9	171.8	-65.2	172.2	0	0	0	110.9	L22 R23 K54 I58	I19-L22 PolarHBondContact O-N 3.26Å; I19-R23 PolarHBondContact O-N 3.05Å; I19-K54 HydrophobicContact CG1-CD 4.44Å; I19-K54 HydrophobicContact CG1-CG 4.23Å; I19-I58 HydrophobicContact CG2-CD1 4.01Å; I19-I58 HydrophobicContact CG2-CG1 3.83Å
20	G	60.7	Low	57.9	Low	42 Å²	42	92.8 Å²	92.8	43%	0.433	53%	0.531	S	S	.	.	H	α-helix	trans	-66.6	-37.3	175.5	0	0	0	0	0	113.5	D18 R23 R24	D18-G20 PolarHBondContact O-N 3.12Å; G20-R23 PolarHBondContact O-N 3.01Å; G20-R24 PolarHBondContact O-N 3.18Å
21	G	66.9	Low	60.2	Low	25 Å²	25	91.4 Å²	91.4	26%	0.258	51%	0.512	S	S	.	.	H	α-helix	trans	-65.9	-43	175.1	0	0	0	0	0	111.8	D18 R23 R24 V25	D18-G21 WeakPolarHBondContact O-CA 3.33Å; D18-G21 PolarHBondContact O-N 3.4Å; G21-R23 VanDerWaalsContact C-N 3.32Å; G21-R23 PolarHBondContact O-N 3.27Å; G21-R24 PolarHBondContact O-N 3.48Å; G21-R24 VanDerWaalsContact O-N 3.1Å; G21-V25 WeakPolarHBondContact O-CG2 3.45Å; G21-V25 PolarHBondContact O-N 3.41Å
22	L	69.1	Low	62.3	Low	0 Å²	0	88.3 Å²	88.3	0%	0	49%	0.491	C	S	.	.	H	α-helix	trans	-56	-45.2	176.3	-79.1	170.2	0	0	0	112	V16 D18 I19 R24 V25 F26 F36 M51 K54 I58	V16-L22 HydrophobicContact CG1-CB 4.37Å; V16-L22 HydrophobicContact CG1-CD2 3.85Å; V16-L22 HydrophobicContact CG1-CG 3.81Å; V16-L22 VanDerWaalsContact CG1-N 3.28Å; D18-L22 PolarHBondContact O-N 2.97Å; D18-L22 VanDerWaalsContact O-N 3.09Å; I19-L22 PolarHBondContact O-N 3.26Å; L22-R24 VanDerWaalsContact C-N 3.31Å; L22-R24 PolarHBondContact O-N 2.98Å; L22-V25 PolarHBondContact O-N 2.83Å; L22-V25 VanDerWaalsContact O-N 3.13Å; L22-F26 HydrophobicContact CB-CD2 4.43Å; L22-F26 HydrophobicContact CB-CE2 4Å; L22-F26 HydrophobicContact CD2-CE2 4.16Å; L22-F26 HydrophobicContact CD2-CZ 3.99Å; L22-F26 WeakPolarHBondContact O-CD2 3.46Å; L22-F26 WeakPolarHBondContact O-CG 3.38Å; L22-F26 PolarHBondContact O-N 3.12Å; L22-F36 HydrophobicContact CD2-CE2 4.31Å; L22-F36 HydrophobicContact CD2-CZ 3.68Å; L22-M51 HydrophobicContact CD1-CE 4.27Å; L22-M51 HydrophobicContact CD1-SD 3.67Å; L22-M51 HydrophobicContact CD2-CE 3.32Å; L22-M51 HydrophobicContact CD2-SD 3.83Å; L22-M51 HydrophobicContact CG-CE 4.2Å; L22-M51 HydrophobicContact CG-SD 4.26Å; L22-K54 HydrophobicContact CD1-CB 4.12Å; L22-I58 HydrophobicContact CB-CD1 3.81Å; L22-I58 HydrophobicContact CD1-CD1 3.84Å; L22-I58 HydrophobicContact CG-CD1 4.48Å
23	R	67.3	Low	64.3	Low	87 Å²	87	86.7 Å²	86.7	33%	0.328	48%	0.484	S	S	.	.	H	α-helix	trans	-57.9	-42	176.3	-69	-178.1	-167.8	-92.9	1	112.6	I19 G20 G21 V25 F26 A27 E61	I19-R23 PolarHBondContact O-N 3.05Å; G20-R23 PolarHBondContact O-N 3.01Å; G21-R23 VanDerWaalsContact C-N 3.32Å; G21-R23 PolarHBondContact O-N 3.27Å; R23-V25 VanDerWaalsContact C-N 3.32Å; R23-V25 PolarHBondContact O-N 3.26Å; R23-F26 PolarHBondContact O-N 3.48Å; R23-A27 WeakPolarHBondContact O-CB 3.49Å; R23-A27 PolarHBondContact O-N 3.44Å; R23-E61 IonicContact CZ-OE1 3.81Å; R23-E61 IonicContact CZ-OE2 3.83Å; R23-E61 IonicContact NH1-OE1 3.82Å; R23-E61 IonicContact NH2-OE1 2.86Å; R23-E61 PolarHBondContact NH2-OE1 2.64Å; R23-E61 VanDerWaalsContact NH2-OE1 3.11Å; R23-E61 IonicContact NH2-OE2 2.73Å; R23-E61 PolarHBondContact NH2-OE2 3.11Å
24	R	70.1	Confident	66.3	Low	200 Å²	200	88.8 Å²	88.8	76%	0.755	48%	0.481	S	S	*	.	H	α-helix	trans	-67.1	-34.5	178.1	-67.7	-174.5	-164.9	-178.6	5.1	112.2	G20 G21 L22	G20-R24 PolarHBondContact O-N 3.18Å; G21-R24 PolarHBondContact O-N 3.48Å; G21-R24 VanDerWaalsContact O-N 3.1Å; L22-R24 VanDerWaalsContact C-N 3.31Å; L22-R24 PolarHBondContact O-N 2.98Å
25	V	72.6	Confident	68.1	Low	33 Å²	33	88.1 Å²	88.1	20%	0.2	48%	0.477	C	S	.	.	H	α-helix	trans	-69.8	-44.7	177.3	175.6	0	0	0	0	110.6	V16 G21 L22 R23 A27 K28 F31 F36	V16-V25 HydrophobicContact CG1-CG2 4.29Å; V16-V25 HydrophobicContact CG2-CG2 4.03Å; G21-V25 WeakPolarHBondContact O-CG2 3.45Å; G21-V25 PolarHBondContact O-N 3.41Å; L22-V25 PolarHBondContact O-N 2.83Å; L22-V25 VanDerWaalsContact O-N 3.13Å; R23-V25 VanDerWaalsContact C-N 3.32Å; R23-V25 PolarHBondContact O-N 3.26Å; V25-A27 VanDerWaalsContact C-N 3.3Å; V25-A27 PolarHBondContact O-N 3.48Å; V25-K28 PolarHBondContact O-N 3.09Å; V25-F31 HydrophobicContact CG1-CD2 3.89Å; V25-F31 HydrophobicContact CG1-CE2 3.98Å; V25-F36 HydrophobicContact CG1-CD2 4.39Å; V25-F36 HydrophobicContact CG1-CE2 4.27Å
26	F	74.6	Confident	69.6	Low	67 Å²	67	81.8 Å²	81.8	29%	0.294	45%	0.447	S	S	.	.	H	α-helix	trans	-68.6	-25.3	178.7	-61.7	-38.2	0	0	0	113.8	L22 R23 K28 F31 F36 V55 I58	L22-F26 HydrophobicContact CB-CD2 4.43Å; L22-F26 HydrophobicContact CB-CE2 4Å; L22-F26 HydrophobicContact CD2-CE2 4.16Å; L22-F26 HydrophobicContact CD2-CZ 3.99Å; L22-F26 WeakPolarHBondContact O-CD2 3.46Å; L22-F26 WeakPolarHBondContact O-CG 3.38Å; L22-F26 PolarHBondContact O-N 3.12Å; R23-F26 PolarHBondContact O-N 3.48Å; F26-K28 VanDerWaalsContact C-N 3.29Å; F26-K28 PolarHBondContact O-N 3Å; F26-F31 HydrophobicContact CD1-CD1 4.45Å; F26-F31 HydrophobicContact CD1-CD2 4.14Å; F26-F31 AromaticContact CD1-CE1 3.87Å; F26-F31 HydrophobicContact CD1-CE1 3.87Å; F26-F31 AromaticContact CD1-CE2 3.51Å; F26-F31 HydrophobicContact CD1-CE2 3.51Å; F26-F31 AromaticContact CD1-CZ 3.37Å; F26-F31 HydrophobicContact CD1-CZ 3.37Å; F26-F31 HydrophobicContact CE1-CE1 4.29Å; F26-F31 AromaticContact CE1-CE2 3.75Å; F26-F31 HydrophobicContact CE1-CE2 3.75Å; F26-F31 AromaticContact CE1-CZ 3.48Å; F26-F31 HydrophobicContact CE1-CZ 3.48Å; F26-F31 VanDerWaalsContact CE1-CZ 3.48Å; F26-F36 HydrophobicContact CE1-CD1 4.29Å; F26-F36 AromaticContact CE1-CE1 3.84Å; F26-F36 HydrophobicContact CE1-CE1 3.84Å; F26-F36 HydrophobicContact CE1-CE2 4.42Å; F26-F36 AromaticContact CE1-CZ 3.89Å; F26-F36 HydrophobicContact CE1-CZ 3.89Å; F26-F36 AromaticContact CZ-CE1 3.95Å; F26-F36 HydrophobicContact CZ-CE1 3.95Å; F26-F36 AromaticContact CZ-CZ 3.94Å; F26-F36 HydrophobicContact CZ-CZ 3.94Å; F26-V55 HydrophobicContact CZ-CG2 4.33Å; F26-I58 HydrophobicContact CE2-CD1 4.46Å
27	A	71.1	Confident	70.7	Confident	83 Å²	83	83.1 Å²	83.1	69%	0.686	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-8	177.4	0	0	0	0	0	114.3	R23 V25	R23-A27 WeakPolarHBondContact O-CB 3.49Å; R23-A27 PolarHBondContact O-N 3.44Å; V25-A27 VanDerWaalsContact C-N 3.3Å; V25-A27 PolarHBondContact O-N 3.48Å
28	K	77.4	Confident	71.6	Confident	112 Å²	112	86.6 Å²	86.6	49%	0.487	47%	0.468	S	S	.	.			trans	-75.5	134.1	-178.1	-74.2	-179.4	179.5	-179.3	0	110.9	V25 F26 T30 F31	V25-K28 PolarHBondContact O-N 3.09Å; F26-K28 VanDerWaalsContact C-N 3.29Å; F26-K28 PolarHBondContact O-N 3Å; K28-T30 PolarHBondContact O-N 2.89Å; K28-T30 VanDerWaalsContact O-N 3.14Å; K28-F31 WeakPolarHBondContact O-CB 3.33Å; K28-F31 PolarHBondContact O-N 3.03Å
29	P	69.6	Low	72.1	Confident	136 Å²	136	85.5 Å²	85.5	88%	0.883	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-20.1	177.4	24.3	-32.2	0	0	0	113.2	F31	P29-F31 VanDerWaalsContact C-N 3.34Å
30	T	76.7	Confident	72.5	Confident	125 Å²	125	83.9 Å²	83.9	77%	0.767	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	10.9	176.5	53.8	0	0	0	0	113.6	K28 N32	K28-T30 PolarHBondContact O-N 2.89Å; K28-T30 VanDerWaalsContact O-N 3.14Å; T30-N32 PolarHBondContact O-N 3.37Å
31	F	77.4	Confident	73	Confident	75 Å²	75	85.3 Å²	85.3	33%	0.329	46%	0.459	S	S	.	.			trans	-64.2	132.1	179.5	178.2	-104.3	0	0	0	111.1	V25 F26 K28 P29 F36	V25-F31 HydrophobicContact CG1-CD2 3.89Å; V25-F31 HydrophobicContact CG1-CE2 3.98Å; F26-F31 HydrophobicContact CD1-CD1 4.45Å; F26-F31 HydrophobicContact CD1-CD2 4.14Å; F26-F31 AromaticContact CD1-CE1 3.87Å; F26-F31 HydrophobicContact CD1-CE1 3.87Å; F26-F31 AromaticContact CD1-CE2 3.51Å; F26-F31 HydrophobicContact CD1-CE2 3.51Å; F26-F31 AromaticContact CD1-CZ 3.37Å; F26-F31 HydrophobicContact CD1-CZ 3.37Å; F26-F31 HydrophobicContact CE1-CE1 4.29Å; F26-F31 AromaticContact CE1-CE2 3.75Å; F26-F31 HydrophobicContact CE1-CE2 3.75Å; F26-F31 AromaticContact CE1-CZ 3.48Å; F26-F31 HydrophobicContact CE1-CZ 3.48Å; F26-F31 VanDerWaalsContact CE1-CZ 3.48Å; K28-F31 WeakPolarHBondContact O-CB 3.33Å; K28-F31 PolarHBondContact O-N 3.03Å; P29-F31 VanDerWaalsContact C-N 3.34Å; F31-F36 HydrophobicContact CE2-CB 3.91Å; F31-F36 HydrophobicContact CE2-CD2 4.02Å; F31-F36 AromaticContact CE2-CG 3.9Å; F31-F36 HydrophobicContact CE2-CG 3.9Å; F31-F36 HydrophobicContact CZ-CB 4.06Å; F31-F36 HydrophobicContact CZ-CD1 4.34Å; F31-F36 HydrophobicContact CZ-CG 4.11Å
32	N	77	Confident	73.3	Confident	70 Å²	70	92.1 Å²	92.1	37%	0.374	48%	0.481	S	S	.	.			trans	-127	116.4	178.5	-179.3	-61.7	0	0	0	109.2	T30 D34 K35 F36	T30-N32 PolarHBondContact O-N 3.37Å; N32-D34 PolarHBondContact O-N 3.09Å; N32-D34 PolarHBondContact OD1-N 3.37Å; N32-K35 HydrophobicContact CB-CB 4.27Å; N32-K35 HydrophobicContact CB-CD 4.37Å; N32-K35 HydrophobicContact CB-CG 4.38Å; N32-K35 PolarHBondContact OD1-N 3.33Å; N32-F36 WeakPolarHBondContact O-CB 3.37Å; N32-F36 PolarHBondContact O-N 3.1Å; N32-F36 VanDerWaalsContact O-N 3.14Å
33	S	74.3	Confident	73.1	Confident	74 Å²	74	96.2 Å²	96.2	52%	0.517	51%	0.509	S	S	.	.	H	α-helix	trans	-60.5	-42.2	-177.2	50	0	0	0	0	112.8	F36 A37	S33-F36 PolarHBondContact O-N 3.02Å; S33-A37 WeakPolarHBondContact O-CB 3.45Å; S33-A37 PolarHBondContact O-N 3.32Å
34	D	77.8	Confident	73.5	Confident	108 Å²	108	93.5 Å²	93.5	58%	0.578	51%	0.508	S	S	*	.	H	α-helix	trans	-69.6	-42.1	-175.3	-59.6	-33.5	0	0	0	111.7	N32 F36 K38	N32-D34 PolarHBondContact O-N 3.09Å; N32-D34 PolarHBondContact OD1-N 3.37Å; D34-F36 VanDerWaalsContact C-N 3.29Å; D34-F36 PolarHBondContact O-N 2.83Å; D34-K38 WeakPolarHBondContact O-CB 3.25Å; D34-K38 WeakPolarHBondContact O-CG 3.14Å; D34-K38 PolarHBondContact O-N 2.8Å
35	K	75.8	Confident	73.6	Confident	148 Å²	148	90.7 Å²	90.7	64%	0.643	51%	0.508	S	S	*	.	H	α-helix	trans	-63.9	-38.8	174.7	-73.2	-173.9	-179.3	179.1	0	111.2	N32 N39	N32-K35 HydrophobicContact CB-CB 4.27Å; N32-K35 HydrophobicContact CB-CD 4.37Å; N32-K35 HydrophobicContact CB-CG 4.38Å; N32-K35 PolarHBondContact OD1-N 3.33Å; K35-N39 PolarHBondContact O-N 2.86Å; K35-N39 VanDerWaalsContact O-N 3.1Å
36	F	75.4	Confident	73.6	Confident	45 Å²	45	94.9 Å²	94.9	20%	0.197	54%	0.535	C	S	.	.	H	α-helix	trans	-66.5	-49.4	178	-176	-99.7	0	0	0	111.7	L22 V25 F26 F31 N32 S33 D34 K38 N39 V40 M51	L22-F36 HydrophobicContact CD2-CE2 4.31Å; L22-F36 HydrophobicContact CD2-CZ 3.68Å; V25-F36 HydrophobicContact CG1-CD2 4.39Å; V25-F36 HydrophobicContact CG1-CE2 4.27Å; F26-F36 HydrophobicContact CE1-CD1 4.29Å; F26-F36 AromaticContact CE1-CE1 3.84Å; F26-F36 HydrophobicContact CE1-CE1 3.84Å; F26-F36 HydrophobicContact CE1-CE2 4.42Å; F26-F36 AromaticContact CE1-CZ 3.89Å; F26-F36 HydrophobicContact CE1-CZ 3.89Å; F26-F36 AromaticContact CZ-CE1 3.95Å; F26-F36 HydrophobicContact CZ-CE1 3.95Å; F26-F36 AromaticContact CZ-CZ 3.94Å; F26-F36 HydrophobicContact CZ-CZ 3.94Å; F31-F36 HydrophobicContact CE2-CB 3.91Å; F31-F36 HydrophobicContact CE2-CD2 4.02Å; F31-F36 AromaticContact CE2-CG 3.9Å; F31-F36 HydrophobicContact CE2-CG 3.9Å; F31-F36 HydrophobicContact CZ-CB 4.06Å; F31-F36 HydrophobicContact CZ-CD1 4.34Å; F31-F36 HydrophobicContact CZ-CG 4.11Å; N32-F36 WeakPolarHBondContact O-CB 3.37Å; N32-F36 PolarHBondContact O-N 3.1Å; N32-F36 VanDerWaalsContact O-N 3.14Å; S33-F36 PolarHBondContact O-N 3.02Å; D34-F36 VanDerWaalsContact C-N 3.29Å; D34-F36 PolarHBondContact O-N 2.83Å; F36-K38 VanDerWaalsContact C-N 3.32Å; F36-K38 PolarHBondContact O-N 3.12Å; F36-N39 PolarHBondContact O-N 2.92Å; F36-N39 VanDerWaalsContact O-N 3.09Å; F36-V40 HydrophobicContact CD1-CG2 4.35Å; F36-V40 HydrophobicContact CE1-CG2 4.07Å; F36-V40 HydrophobicContact CE2-CG2 4.49Å; F36-V40 HydrophobicContact CZ-CG2 4.18Å; F36-V40 WeakPolarHBondContact O-CG2 3.33Å; F36-V40 PolarHBondContact O-N 2.74Å; F36-M51 HydrophobicContact CE1-CE 4.5Å; F36-M51 HydrophobicContact CE2-CE 4.42Å; F36-M51 HydrophobicContact CZ-CE 3.72Å
37	A	72.4	Confident	73.4	Confident	59 Å²	59	93.5 Å²	93.5	49%	0.488	54%	0.535	S	S	.	.	H	α-helix	trans	-60.1	-39.9	177.3	0	0	0	0	0	112.6	S33 N39 V40 S41	S33-A37 WeakPolarHBondContact O-CB 3.45Å; S33-A37 PolarHBondContact O-N 3.32Å; A37-N39 VanDerWaalsContact C-N 3.35Å; A37-N39 PolarHBondContact O-N 3.03Å; A37-V40 PolarHBondContact O-N 2.89Å; A37-S41 WeakPolarHBondContact O-CB 3.4Å; A37-S41 PolarHBondContact O-N 3.09Å; A37-S41 PolarHBondContact O-OG 3.47Å
38	K	73.9	Confident	73.5	Confident	141 Å²	141	91.7 Å²	91.7	61%	0.613	52%	0.516	S	S	*	.	H	α-helix	trans	-64.8	-34	174.1	-77.2	179.1	-179.5	178.4	0	113.5	D34 F36 S41 K42	D34-K38 WeakPolarHBondContact O-CB 3.25Å; D34-K38 WeakPolarHBondContact O-CG 3.14Å; D34-K38 PolarHBondContact O-N 2.8Å; F36-K38 VanDerWaalsContact C-N 3.32Å; F36-K38 PolarHBondContact O-N 3.12Å; K38-S41 WeakPolarHBondContact CA-OG 3.49Å; K38-S41 PolarHBondContact O-OG 3.3Å; K38-S41 VanDerWaalsContact O-OG 3.12Å; K38-K42 WeakPolarHBondContact O-CG 3.33Å
39	N	72.7	Confident	73.3	Confident	102 Å²	102	90 Å²	90	55%	0.545	52%	0.518	S	S	.	.	H	α-helix	trans	-75.6	-36.9	177.6	-79.7	-11.2	0	0	0	112	K35 F36 A37	K35-N39 PolarHBondContact O-N 2.86Å; K35-N39 VanDerWaalsContact O-N 3.1Å; F36-N39 PolarHBondContact O-N 2.92Å; F36-N39 VanDerWaalsContact O-N 3.09Å; A37-N39 VanDerWaalsContact C-N 3.35Å; A37-N39 PolarHBondContact O-N 3.03Å
40	V	69.4	Low	73.7	Confident	29 Å²	29	87.3 Å²	87.3	18%	0.176	50%	0.496	C	S	.	.	H	α-helix	trans	-71.8	-40.6	178.5	177.1	0	0	0	0	111.6	F36 A37 K42 S43 T48 M51	F36-V40 HydrophobicContact CD1-CG2 4.35Å; F36-V40 HydrophobicContact CE1-CG2 4.07Å; F36-V40 HydrophobicContact CE2-CG2 4.49Å; F36-V40 HydrophobicContact CZ-CG2 4.18Å; F36-V40 WeakPolarHBondContact O-CG2 3.33Å; F36-V40 PolarHBondContact O-N 2.74Å; A37-V40 PolarHBondContact O-N 2.89Å; V40-K42 PolarHBondContact O-N 2.94Å; V40-S43 WeakPolarHBondContact O-CB 3.46Å; V40-S43 PolarHBondContact O-N 2.96Å; V40-T48 HydrophobicContact CG1-CG2 4.1Å; V40-T48 WeakPolarHBondContact O-CG2 3.47Å; V40-M51 HydrophobicContact CG1-CB 3.99Å; V40-M51 HydrophobicContact CG1-CG 3.94Å; V40-M51 HydrophobicContact CG2-CE 4.16Å; V40-M51 HydrophobicContact CG2-CG 4.39Å
41	S	71.4	Confident	73.7	Confident	73 Å²	73	82.6 Å²	82.6	51%	0.51	47%	0.466	S	S	.	.	H	α-helix	trans	-62	-27.1	176.1	47.2	0	0	0	0	113.8	A37 K38 S43	A37-S41 WeakPolarHBondContact O-CB 3.4Å; A37-S41 PolarHBondContact O-N 3.09Å; A37-S41 PolarHBondContact O-OG 3.47Å; K38-S41 WeakPolarHBondContact CA-OG 3.49Å; K38-S41 PolarHBondContact O-OG 3.3Å; K38-S41 VanDerWaalsContact O-OG 3.12Å; S41-S43 VanDerWaalsContact C-N 3.26Å; S41-S43 PolarHBondContact O-N 3.05Å
42	K	72.7	Confident	73.7	Confident	168 Å²	168	84.8 Å²	84.8	73%	0.73	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-20.3	173.8	-74.1	173.8	-177.9	-177.5	0	113.8	K38 V40 G44	K38-K42 WeakPolarHBondContact O-CG 3.33Å; V40-K42 PolarHBondContact O-N 2.94Å; K42-G44 VanDerWaalsContact C-N 3.29Å; K42-G44 PolarHBondContact O-N 2.93Å
43	S	65.3	Low	73.9	Confident	85 Å²	85	87.4 Å²	87.4	59%	0.594	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	1.2	-175.9	-58.6	0	0	0	0	114.1	V40 S41 A47	V40-S43 WeakPolarHBondContact O-CB 3.46Å; V40-S43 PolarHBondContact O-N 2.96Å; S41-S43 VanDerWaalsContact C-N 3.26Å; S41-S43 PolarHBondContact O-N 3.05Å; S43-A47 WeakPolarHBondContact O-CB 3.43Å
44	G	75.9	Confident	74.1	Confident	30 Å²	30	86.2 Å²	86.2	31%	0.309	48%	0.476	S	S	.	.			trans	93.1	159.2	178.2	0	0	0	0	0	114.3	K42 T46 A47 T48	K42-G44 VanDerWaalsContact C-N 3.29Å; K42-G44 PolarHBondContact O-N 2.93Å; G44-T46 PolarHBondContact O-N 3.48Å; G44-A47 PolarHBondContact O-N 3.14Å; G44-T48 WeakPolarHBondContact O-CG2 3.33Å; G44-T48 PolarHBondContact O-N 2.86Å
45	D	73.1	Confident	74.2	Confident	141 Å²	141	83.6 Å²	83.6	75%	0.754	46%	0.463	S	S	*	.	H	α-helix	trans	-60.2	-41	-170	-66.6	-18.1	0	0	0	113.4	A47 T48 S49	D45-A47 PolarHBondContact O-N 3.34Å; D45-T48 WeakPolarHBondContact CA-OG1 3.29Å; D45-T48 PolarHBondContact O-N 3.16Å; D45-T48 PolarHBondContact O-OG1 2.79Å; D45-S49 PolarHBondContact O-N 3.35Å
46	T	72.1	Confident	74.6	Confident	122 Å²	122	81.8 Å²	81.8	75%	0.748	46%	0.461	S	S	*	.	H	α-helix	trans	-63.9	-40.6	178.3	51.1	0	0	0	0	112.3	G44 S49 N50	G44-T46 PolarHBondContact O-N 3.48Å; T46-S49 PolarHBondContact O-N 3.44Å; T46-N50 WeakPolarHBondContact O-CB 3.46Å; T46-N50 PolarHBondContact O-N 2.97Å; T46-N50 VanDerWaalsContact O-N 3.1Å
47	A	71	Confident	75	Confident	38 Å²	38	83.6 Å²	83.6	31%	0.314	47%	0.472	S	S	.	.	H	α-helix	trans	-66.7	-39.2	174.9	0	0	0	0	0	111.3	S43 G44 D45 M51	S43-A47 WeakPolarHBondContact O-CB 3.43Å; G44-A47 PolarHBondContact O-N 3.14Å; D45-A47 PolarHBondContact O-N 3.34Å; A47-M51 VanDerWaalsContact O-CB 3.25Å; A47-M51 WeakPolarHBondContact O-CB 3.45Å; A47-M51 PolarHBondContact O-N 3.17Å
48	T	71.4	Confident	75.4	Confident	44 Å²	44	81.7 Å²	81.7	27%	0.27	45%	0.453	S	S	.	.	H	α-helix	trans	-65.1	-40.8	176.3	68.2	0	0	0	0	112.3	V40 G44 D45 M51 L52	V40-T48 HydrophobicContact CG1-CG2 4.1Å; V40-T48 WeakPolarHBondContact O-CG2 3.47Å; G44-T48 WeakPolarHBondContact O-CG2 3.33Å; G44-T48 PolarHBondContact O-N 2.86Å; D45-T48 WeakPolarHBondContact CA-OG1 3.29Å; D45-T48 PolarHBondContact O-N 3.16Å; D45-T48 PolarHBondContact O-OG1 2.79Å; T48-M51 PolarHBondContact O-N 2.92Å; T48-L52 WeakPolarHBondContact O-CB 3.24Å; T48-L52 PolarHBondContact O-N 2.94Å
49	S	74.7	Confident	75.8	Confident	76 Å²	76	78.2 Å²	78.2	53%	0.531	45%	0.447	S	S	.	.	H	α-helix	trans	-67.7	-44	178.9	-170.2	0	0	0	0	112.2	D45 T46 M51 L52 E53	D45-S49 PolarHBondContact O-N 3.35Å; T46-S49 PolarHBondContact O-N 3.44Å; S49-M51 VanDerWaalsContact C-N 3.32Å; S49-M51 PolarHBondContact O-N 3.07Å; S49-L52 WeakPolarHBondContact O-CB 3.46Å; S49-L52 PolarHBondContact O-N 3.41Å; S49-E53 PolarHBondContact O-N 3.47Å
50	N	77.8	Confident	76.3	Confident	80 Å²	80	76.8 Å²	76.8	43%	0.428	45%	0.445	S	S	.	.	H	α-helix	trans	-63.1	-41	175.3	-172.3	-42.6	0	0	0	111.1	T46 E53 K54	T46-N50 WeakPolarHBondContact O-CB 3.46Å; T46-N50 PolarHBondContact O-N 2.97Å; T46-N50 VanDerWaalsContact O-N 3.1Å; N50-E53 PolarHBondContact O-N 3.34Å; N50-K54 WeakPolarHBondContact O-CG 3.35Å; N50-K54 PolarHBondContact O-N 3.09Å; N50-K54 WeakPolarHBondContact OD1-CE 3.43Å; N50-K54 PolarHBondContact OD1-NZ 3.27Å
51	M	75.3	Confident	76.9	Confident	27 Å²	27	78.5 Å²	78.5	13%	0.133	45%	0.451	C	S	.	.	H	α-helix	trans	-65.4	-39.4	175.2	-169.2	62.8	129.6	0	0	112.2	L22 F36 V40 A47 T48 S49 E53 K54 V55	L22-M51 HydrophobicContact CD1-CE 4.27Å; L22-M51 HydrophobicContact CD1-SD 3.67Å; L22-M51 HydrophobicContact CD2-CE 3.32Å; L22-M51 HydrophobicContact CD2-SD 3.83Å; L22-M51 HydrophobicContact CG-CE 4.2Å; L22-M51 HydrophobicContact CG-SD 4.26Å; F36-M51 HydrophobicContact CE1-CE 4.5Å; F36-M51 HydrophobicContact CE2-CE 4.42Å; F36-M51 HydrophobicContact CZ-CE 3.72Å; V40-M51 HydrophobicContact CG1-CB 3.99Å; V40-M51 HydrophobicContact CG1-CG 3.94Å; V40-M51 HydrophobicContact CG2-CE 4.16Å; V40-M51 HydrophobicContact CG2-CG 4.39Å; A47-M51 VanDerWaalsContact O-CB 3.25Å; A47-M51 WeakPolarHBondContact O-CB 3.45Å; A47-M51 PolarHBondContact O-N 3.17Å; T48-M51 PolarHBondContact O-N 2.92Å; S49-M51 VanDerWaalsContact C-N 3.32Å; S49-M51 PolarHBondContact O-N 3.07Å; M51-E53 VanDerWaalsContact C-N 3.35Å; M51-K54 PolarHBondContact O-N 3.1Å; M51-V55 WeakPolarHBondContact O-CB 3.49Å; M51-V55 VanDerWaalsContact O-CG2 3.29Å; M51-V55 WeakPolarHBondContact O-CG2 3.41Å; M51-V55 PolarHBondContact O-N 3.37Å
52	L	79.4	Confident	77.4	Confident	121 Å²	121	77.2 Å²	77.2	63%	0.634	45%	0.445	S	S	*	.	H	α-helix	trans	-62.2	-42.8	175.7	-176.5	65.6	0	0	0	111.2	T48 S49 V55 N56	T48-L52 WeakPolarHBondContact O-CB 3.24Å; T48-L52 PolarHBondContact O-N 2.94Å; S49-L52 WeakPolarHBondContact O-CB 3.46Å; S49-L52 PolarHBondContact O-N 3.41Å; L52-V55 PolarHBondContact O-N 3.47Å; L52-N56 WeakPolarHBondContact O-CB 3.4Å; L52-N56 PolarHBondContact O-N 3.02Å
53	E	79.9	Confident	77.9	Confident	124 Å²	124	71.3 Å²	71.3	58%	0.579	43%	0.427	S	S	*	.	H	α-helix	trans	-60.4	-47.1	174.5	-172.6	179.2	-164.6	0	0	111.4	S49 N50 M51 V55 N56 I57	S49-E53 PolarHBondContact O-N 3.47Å; N50-E53 PolarHBondContact O-N 3.34Å; M51-E53 VanDerWaalsContact C-N 3.35Å; E53-V55 PolarHBondContact O-N 3.43Å; E53-N56 PolarHBondContact O-N 3.05Å; E53-N56 VanDerWaalsContact O-N 3.16Å; E53-I57 HydrophobicContact CG-CD1 4.28Å; E53-I57 WeakPolarHBondContact O-CG1 3.26Å; E53-I57 PolarHBondContact O-N 2.79Å
54	K	79.4	Confident	78.9	Confident	50 Å²	50	69.9 Å²	69.9	22%	0.217	42%	0.417	C	S	.	.	H	α-helix	trans	-60.2	-43.2	175.2	-73.1	175.3	178.6	173.1	0	112.5	S17 I19 L22 N50 M51 N56 I57 I58	S17-K54 PolarHBondContact O-NZ 3.29Å; I19-K54 HydrophobicContact CG1-CD 4.44Å; I19-K54 HydrophobicContact CG1-CG 4.23Å; L22-K54 HydrophobicContact CD1-CB 4.12Å; N50-K54 WeakPolarHBondContact O-CG 3.35Å; N50-K54 PolarHBondContact O-N 3.09Å; N50-K54 WeakPolarHBondContact OD1-CE 3.43Å; N50-K54 PolarHBondContact OD1-NZ 3.27Å; M51-K54 PolarHBondContact O-N 3.1Å; K54-N56 VanDerWaalsContact C-N 3.32Å; K54-I57 PolarHBondContact O-N 3.32Å; K54-I58 VanDerWaalsContact O-CG1 3.26Å; K54-I58 WeakPolarHBondContact O-CG1 3.34Å; K54-I58 PolarHBondContact O-N 2.94Å
55	V	80.3	Confident	79.2	Confident	52 Å²	52	72.9 Å²	72.9	32%	0.315	42%	0.422	S	S	.	.	H	α-helix	trans	-64.9	-38.3	176.1	169.6	0	0	0	0	110.8	F26 M51 L52 E53 I58 S59	F26-V55 HydrophobicContact CZ-CG2 4.33Å; M51-V55 WeakPolarHBondContact O-CB 3.49Å; M51-V55 VanDerWaalsContact O-CG2 3.29Å; M51-V55 WeakPolarHBondContact O-CG2 3.41Å; M51-V55 PolarHBondContact O-N 3.37Å; L52-V55 PolarHBondContact O-N 3.47Å; E53-V55 PolarHBondContact O-N 3.43Å; V55-I58 PolarHBondContact O-N 3.38Å; V55-S59 VanDerWaalsContact O-CB 3.24Å; V55-S59 WeakPolarHBondContact O-CB 3.45Å; V55-S59 PolarHBondContact O-N 3.41Å
56	N	82.6	Confident	79.7	Confident	110 Å²	110	72.4 Å²	72.4	59%	0.588	42%	0.416	S	S	*	.	H	α-helix	trans	-67.5	-38.7	177.8	-157.5	11.2	0	0	0	111.8	L52 E53 K54 S59 S60	L52-N56 WeakPolarHBondContact O-CB 3.4Å; L52-N56 PolarHBondContact O-N 3.02Å; E53-N56 PolarHBondContact O-N 3.05Å; E53-N56 VanDerWaalsContact O-N 3.16Å; K54-N56 VanDerWaalsContact C-N 3.32Å; N56-S59 WeakPolarHBondContact O-CB 3.16Å; N56-S59 PolarHBondContact O-N 3.47Å; N56-S60 WeakPolarHBondContact O-CB 3.3Å; N56-S60 PolarHBondContact O-N 2.96Å
57	I	84.5	Confident	80.5	Confident	84 Å²	84	74 Å²	74	43%	0.431	41%	0.413	S	S	.	.	H	α-helix	trans	-62.2	-48.7	171.8	-67.1	164.4	0	0	0	110.6	E53 K54 S59 S60 E61	E53-I57 HydrophobicContact CG-CD1 4.28Å; E53-I57 WeakPolarHBondContact O-CG1 3.26Å; E53-I57 PolarHBondContact O-N 2.79Å; K54-I57 PolarHBondContact O-N 3.32Å; I57-S59 VanDerWaalsContact C-N 3.27Å; I57-S59 PolarHBondContact O-N 2.8Å; I57-S60 PolarHBondContact O-N 3.35Å; I57-E61 WeakPolarHBondContact O-CB 3.19Å; I57-E61 PolarHBondContact O-N 3Å
58	I	81.1	Confident	81.2	Confident	18 Å²	18	79.7 Å²	79.7	9%	0.092	43%	0.426	C	S	.	.	H	α-helix	trans	-60.6	-40.2	177.1	-66.3	165.7	0	0	0	110.6	I19 L22 F26 K54 V55 A62	I19-I58 HydrophobicContact CG2-CD1 4.01Å; I19-I58 HydrophobicContact CG2-CG1 3.83Å; L22-I58 HydrophobicContact CB-CD1 3.81Å; L22-I58 HydrophobicContact CD1-CD1 3.84Å; L22-I58 HydrophobicContact CG-CD1 4.48Å; F26-I58 HydrophobicContact CE2-CD1 4.46Å; K54-I58 VanDerWaalsContact O-CG1 3.26Å; K54-I58 WeakPolarHBondContact O-CG1 3.34Å; K54-I58 PolarHBondContact O-N 2.94Å; V55-I58 PolarHBondContact O-N 3.38Å; I58-A62 WeakPolarHBondContact O-CB 3.12Å; I58-A62 PolarHBondContact O-N 3.14Å
59	S	82	Confident	81.9	Confident	68 Å²	68	80 Å²	80	48%	0.476	43%	0.434	S	S	.	.	H	α-helix	trans	-63.8	-48.8	177.7	-178.4	0	0	0	0	111.6	V55 N56 I57 E61 A62 A63	V55-S59 VanDerWaalsContact O-CB 3.24Å; V55-S59 WeakPolarHBondContact O-CB 3.45Å; V55-S59 PolarHBondContact O-N 3.41Å; N56-S59 WeakPolarHBondContact O-CB 3.16Å; N56-S59 PolarHBondContact O-N 3.47Å; I57-S59 VanDerWaalsContact C-N 3.27Å; I57-S59 PolarHBondContact O-N 2.8Å; S59-E61 VanDerWaalsContact C-N 3.34Å; S59-E61 PolarHBondContact O-N 3.5Å; S59-A62 PolarHBondContact O-N 3.5Å; S59-A63 VanDerWaalsContact O-CB 3.3Å; S59-A63 WeakPolarHBondContact O-CB 3.43Å; S59-A63 PolarHBondContact O-N 3.13Å
60	S	83.1	Confident	82.4	Confident	73 Å²	73	79.3 Å²	79.3	51%	0.51	43%	0.426	S	S	.	.	H	α-helix	trans	-61.6	-41.5	177.1	-180	0	0	0	0	112.2	N56 I57 A63 S64	N56-S60 WeakPolarHBondContact O-CB 3.3Å; N56-S60 PolarHBondContact O-N 2.96Å; I57-S60 PolarHBondContact O-N 3.35Å; S60-A63 PolarHBondContact O-N 3.49Å; S60-S64 WeakPolarHBondContact O-CB 3.38Å; S60-S64 PolarHBondContact O-N 3.41Å; S60-S64 PolarHBondContact O-OG 3.46Å
61	E	82.5	Confident	82.9	Confident	64 Å²	64	82.1 Å²	82.1	30%	0.299	44%	0.435	S	S	.	.	H	α-helix	trans	-69.8	-40.3	176.8	-163	-162.3	133.8	0	0	111.9	R23 I57 S59 S64 K65	R23-E61 IonicContact CZ-OE1 3.81Å; R23-E61 IonicContact CZ-OE2 3.83Å; R23-E61 IonicContact NH1-OE1 3.82Å; R23-E61 IonicContact NH2-OE1 2.86Å; R23-E61 PolarHBondContact NH2-OE1 2.64Å; R23-E61 VanDerWaalsContact NH2-OE1 3.11Å; R23-E61 IonicContact NH2-OE2 2.73Å; R23-E61 PolarHBondContact NH2-OE2 3.11Å; I57-E61 WeakPolarHBondContact O-CB 3.19Å; I57-E61 PolarHBondContact O-N 3Å; S59-E61 VanDerWaalsContact C-N 3.34Å; S59-E61 PolarHBondContact O-N 3.5Å; E61-S64 PolarHBondContact O-N 3.44Å; E61-K65 WeakPolarHBondContact O-CB 3.43Å; E61-K65 WeakPolarHBondContact O-CG 3.3Å; E61-K65 PolarHBondContact O-N 2.75Å; E61-K65 VanDerWaalsContact OE1-CE 3.3Å; E61-K65 WeakPolarHBondContact OE1-CE 3.27Å; E61-K65 IonicContact OE1-NZ 3.97Å; E61-K65 PolarHBondContact OE1-NZ 2.69Å
62	A	81.5	Confident	83.6	Confident	47 Å²	47	85.5 Å²	85.5	39%	0.388	45%	0.45	S	S	.	.	H	α-helix	trans	-64.1	-42.7	174.7	0	0	0	0	0	111	I58 S59 S64 K65 M66	I58-A62 WeakPolarHBondContact O-CB 3.12Å; I58-A62 PolarHBondContact O-N 3.14Å; S59-A62 PolarHBondContact O-N 3.5Å; A62-S64 VanDerWaalsContact C-N 3.31Å; A62-S64 PolarHBondContact O-N 3.29Å; A62-K65 PolarHBondContact O-N 3.29Å; A62-M66 WeakPolarHBondContact O-CB 3.48Å; A62-M66 PolarHBondContact O-N 2.83Å
63	A	82.9	Confident	84	Confident	43 Å²	43	85 Å²	85	36%	0.355	45%	0.448	S	S	.	.	H	α-helix	trans	-61.2	-40.9	173.8	0	0	0	0	0	111.2	S59 S60 M66 K67	S59-A63 VanDerWaalsContact O-CB 3.3Å; S59-A63 WeakPolarHBondContact O-CB 3.43Å; S59-A63 PolarHBondContact O-N 3.13Å; S60-A63 PolarHBondContact O-N 3.49Å; A63-M66 PolarHBondContact O-N 3.44Å; A63-K67 WeakPolarHBondContact O-CB 3.4Å; A63-K67 VanDerWaalsContact O-CG 3.27Å; A63-K67 WeakPolarHBondContact O-CG 3.2Å; A63-K67 PolarHBondContact O-N 3.1Å
64	S	85.7	Confident	84.5	Confident	55 Å²	55	86.5 Å²	86.5	39%	0.385	45%	0.449	S	S	.	.	H	α-helix	trans	-68.7	-38.8	176.2	-65.3	0	0	0	0	113	S60 E61 A62 R68	S60-S64 WeakPolarHBondContact O-CB 3.38Å; S60-S64 PolarHBondContact O-N 3.41Å; S60-S64 PolarHBondContact O-OG 3.46Å; E61-S64 PolarHBondContact O-N 3.44Å; A62-S64 VanDerWaalsContact C-N 3.31Å; A62-S64 PolarHBondContact O-N 3.29Å; S64-R68 PolarHBondContact O-N 2.85Å; S64-R68 VanDerWaalsContact O-N 3.1Å
65	K	83.7	Confident	85.1	Confident	93 Å²	93	88.5 Å²	88.5	40%	0.404	46%	0.458	S	S	.	.	H	α-helix	trans	-66.7	-42.1	173.2	-82	174.8	169.4	165.1	0	111.4	E61 A62 R68 A69	E61-K65 WeakPolarHBondContact O-CB 3.43Å; E61-K65 WeakPolarHBondContact O-CG 3.3Å; E61-K65 PolarHBondContact O-N 2.75Å; E61-K65 VanDerWaalsContact OE1-CE 3.3Å; E61-K65 WeakPolarHBondContact OE1-CE 3.27Å; E61-K65 IonicContact OE1-NZ 3.97Å; E61-K65 PolarHBondContact OE1-NZ 2.69Å; A62-K65 PolarHBondContact O-N 3.29Å; K65-R68 PolarHBondContact O-N 2.8Å; K65-A69 WeakPolarHBondContact O-CB 3.41Å; K65-A69 PolarHBondContact O-N 2.86Å
66	M	83.2	Confident	85.5	Confident	131 Å²	131	91.8 Å²	91.8	65%	0.645	47%	0.473	S	S	*	.	H	α-helix	trans	-63.7	-45.3	176.1	-175.1	177.2	173.1	0	0	110.7	A62 A63 R68 A69 V70	A62-M66 WeakPolarHBondContact O-CB 3.48Å; A62-M66 PolarHBondContact O-N 2.83Å; A63-M66 PolarHBondContact O-N 3.44Å; M66-R68 VanDerWaalsContact C-N 3.32Å; M66-R68 PolarHBondContact O-N 3.19Å; M66-A69 PolarHBondContact O-N 3.38Å; M66-V70 HydrophobicContact CG-CG2 4.33Å; M66-V70 WeakPolarHBondContact O-CB 3.22Å; M66-V70 VanDerWaalsContact O-CG2 3.22Å; M66-V70 WeakPolarHBondContact O-CG2 3.38Å; M66-V70 PolarHBondContact O-N 3.28Å
67	K	89.4	Confident	86	Confident	157 Å²	157	93.7 Å²	93.7	68%	0.683	48%	0.477	S	S	*	.	H	α-helix	trans	-56.5	-44.3	173.3	-77.5	176.4	-177.8	-178.1	0	112	A63 V70 F71	A63-K67 WeakPolarHBondContact O-CB 3.4Å; A63-K67 VanDerWaalsContact O-CG 3.27Å; A63-K67 WeakPolarHBondContact O-CG 3.2Å; A63-K67 PolarHBondContact O-N 3.1Å; K67-V70 PolarHBondContact O-N 2.92Å; K67-F71 WeakPolarHBondContact O-CB 3.22Å; K67-F71 PolarHBondContact O-N 3.47Å
68	R	85.6	Confident	86.2	Confident	156 Å²	156	94.3 Å²	94.3	59%	0.589	48%	0.48	S	S	*	.	H	α-helix	trans	-63.5	-44.2	174.7	-90.7	-178.7	-77.8	150.1	-10.8	112.9	S64 K65 M66 F71 E72	S64-R68 PolarHBondContact O-N 2.85Å; S64-R68 VanDerWaalsContact O-N 3.1Å; K65-R68 PolarHBondContact O-N 2.8Å; M66-R68 VanDerWaalsContact C-N 3.32Å; M66-R68 PolarHBondContact O-N 3.19Å; R68-F71 PolarHBondContact O-N 3.32Å; R68-E72 PolarHBondContact O-N 2.92Å
69	A	84.6	Confident	86.7	Confident	51 Å²	51	99.9 Å²	99.9	42%	0.421	50%	0.504	S	S	.	.	H	α-helix	trans	-63.8	-41.9	177.3	0	0	0	0	0	111.8	K65 M66 F71 E72 N73	K65-A69 WeakPolarHBondContact O-CB 3.41Å; K65-A69 PolarHBondContact O-N 2.86Å; M66-A69 PolarHBondContact O-N 3.38Å; A69-F71 VanDerWaalsContact C-N 3.34Å; A69-F71 PolarHBondContact O-N 3.5Å; A69-E72 PolarHBondContact O-N 3.42Å; A69-N73 WeakPolarHBondContact O-CB 3.46Å; A69-N73 VanDerWaalsContact O-CG 3.23Å; A69-N73 PolarHBondContact O-N 2.89Å
70	V	86.1	Confident	87.1	Confident	61 Å²	61	99.4 Å²	99.4	37%	0.37	50%	0.504	S	S	.	.	H	α-helix	trans	-61.5	-43.4	174.1	169.7	0	0	0	0	110.4	M66 K67 N73 Y74	M66-V70 HydrophobicContact CG-CG2 4.33Å; M66-V70 WeakPolarHBondContact O-CB 3.22Å; M66-V70 VanDerWaalsContact O-CG2 3.22Å; M66-V70 WeakPolarHBondContact O-CG2 3.38Å; M66-V70 PolarHBondContact O-N 3.28Å; K67-V70 PolarHBondContact O-N 2.92Å; V70-N73 PolarHBondContact O-N 3.31Å; V70-Y74 HydrophobicContact CG1-CD2 3.61Å; V70-Y74 HydrophobicContact CG1-CE2 3.49Å; V70-Y74 VanDerWaalsContact CG1-CE2 3.49Å; V70-Y74 WeakPolarHBondContact O-CD2 3.28Å; V70-Y74 PolarHBondContact O-N 2.86Å
71	F	89	Confident	87.6	Confident	139 Å²	139	97.8 Å²	97.8	61%	0.61	50%	0.499	S	S	*	.	H	α-helix	trans	-64.2	-44.7	177.2	-172.5	-95.4	0	0	0	112.9	K67 R68 A69 N73 Y74 K75	K67-F71 WeakPolarHBondContact O-CB 3.22Å; K67-F71 PolarHBondContact O-N 3.47Å; R68-F71 PolarHBondContact O-N 3.32Å; A69-F71 VanDerWaalsContact C-N 3.34Å; A69-F71 PolarHBondContact O-N 3.5Å; F71-N73 VanDerWaalsContact C-N 3.34Å; F71-N73 PolarHBondContact O-N 3.27Å; F71-Y74 PolarHBondContact O-N 3.35Å; F71-K75 WeakPolarHBondContact O-CB 3.4Å; F71-K75 PolarHBondContact O-N 2.9Å
72	E	89.5	Confident	88.1	Confident	99 Å²	99	101.5 Å²	101.5	46%	0.463	51%	0.514	S	S	.	.	H	α-helix	trans	-65	-37.5	175.4	-74	-59.8	139.6	0	0	111.8	R68 A69 K75 L76	R68-E72 PolarHBondContact O-N 2.92Å; A69-E72 PolarHBondContact O-N 3.42Å; E72-K75 WeakPolarHBondContact O-CB 3.37Å; E72-K75 PolarHBondContact O-N 2.82Å; E72-K75 IonicContact OE1-NZ 3.43Å; E72-K75 IonicContact OE2-NZ 2.71Å; E72-L76 WeakPolarHBondContact O-CB 3.5Å; E72-L76 PolarHBondContact O-N 3.32Å
73	N	87.9	Confident	88.4	Confident	110 Å²	110	101.8 Å²	101.8	59%	0.588	52%	0.516	S	S	*	.	H	α-helix	trans	-63.9	-43.6	172.7	-74.2	-11.4	0	0	0	112	A69 V70 F71 K75 L76 F77	A69-N73 WeakPolarHBondContact O-CB 3.46Å; A69-N73 VanDerWaalsContact O-CG 3.23Å; A69-N73 PolarHBondContact O-N 2.89Å; V70-N73 PolarHBondContact O-N 3.31Å; F71-N73 VanDerWaalsContact C-N 3.34Å; F71-N73 PolarHBondContact O-N 3.27Å; N73-K75 VanDerWaalsContact C-N 3.33Å; N73-K75 PolarHBondContact O-N 2.83Å; N73-L76 PolarHBondContact O-N 3.47Å; N73-F77 WeakPolarHBondContact O-CB 3.37Å; N73-F77 PolarHBondContact O-N 3.5Å
74	Y	90	Very high	88.8	Confident	155 Å²	155	102.5 Å²	102.5	61%	0.608	52%	0.522	S	S	*	.	H	α-helix	trans	-60.5	-43	173.4	-88.7	-65.5	0	0	0	111.5	V70 F71 L76 F77 I78	V70-Y74 HydrophobicContact CG1-CD2 3.61Å; V70-Y74 HydrophobicContact CG1-CE2 3.49Å; V70-Y74 VanDerWaalsContact CG1-CE2 3.49Å; V70-Y74 WeakPolarHBondContact O-CD2 3.28Å; V70-Y74 PolarHBondContact O-N 2.86Å; F71-Y74 PolarHBondContact O-N 3.35Å; Y74-L76 VanDerWaalsContact C-N 3.35Å; Y74-L76 PolarHBondContact O-N 3.3Å; Y74-F77 WeakPolarHBondContact O-CB 3.46Å; Y74-F77 PolarHBondContact O-N 2.87Å; Y74-I78 VanDerWaalsContact O-CG1 3.28Å; Y74-I78 WeakPolarHBondContact O-CG1 3.45Å; Y74-I78 PolarHBondContact O-N 2.78Å
75	K	92.4	Very high	89.1	Confident	93 Å²	93	102.6 Å²	102.6	40%	0.404	52%	0.523	S	S	.	.	H	α-helix	trans	-63	-41.3	177	-175.2	-176.2	179.1	-172.6	0	111.9	F71 E72 N73 I78 K79	F71-K75 WeakPolarHBondContact O-CB 3.4Å; F71-K75 PolarHBondContact O-N 2.9Å; E72-K75 WeakPolarHBondContact O-CB 3.37Å; E72-K75 PolarHBondContact O-N 2.82Å; E72-K75 IonicContact OE1-NZ 3.43Å; E72-K75 IonicContact OE2-NZ 2.71Å; N73-K75 VanDerWaalsContact C-N 3.33Å; N73-K75 PolarHBondContact O-N 2.83Å; K75-I78 PolarHBondContact O-N 3.47Å; K75-K79 WeakPolarHBondContact O-CG 3.5Å; K75-K79 PolarHBondContact O-N 2.84Å
76	L	88.1	Confident	89.5	Confident	121 Å²	121	104.6 Å²	104.6	63%	0.634	53%	0.534	S	S	*	.	H	α-helix	trans	-63.9	-43.5	174.3	-157.4	85.8	0	0	0	110.8	E72 N73 Y74 I78 K79 A80	E72-L76 WeakPolarHBondContact O-CB 3.5Å; E72-L76 PolarHBondContact O-N 3.32Å; N73-L76 PolarHBondContact O-N 3.47Å; Y74-L76 VanDerWaalsContact C-N 3.35Å; Y74-L76 PolarHBondContact O-N 3.3Å; L76-I78 PolarHBondContact O-N 3.31Å; L76-K79 PolarHBondContact O-N 3.39Å; L76-A80 WeakPolarHBondContact O-CB 3.47Å; L76-A80 PolarHBondContact O-N 2.87Å
77	F	92.6	Very high	89.9	Confident	149 Å²	149	104 Å²	104	65%	0.654	53%	0.532	S	S	*	.	H	α-helix	trans	-61.2	-43.5	176.7	-176.4	-93.6	0	0	0	112.2	N73 Y74 A80 G81	N73-F77 WeakPolarHBondContact O-CB 3.37Å; N73-F77 PolarHBondContact O-N 3.5Å; Y74-F77 WeakPolarHBondContact O-CB 3.46Å; Y74-F77 PolarHBondContact O-N 2.87Å; F77-A80 PolarHBondContact O-N 2.85Å; F77-G81 PolarHBondContact O-N 2.86Å
78	I	90	Very high	90	Very high	98 Å²	98	101.8 Å²	101.8	50%	0.503	52%	0.524	S	S	.	.	H	α-helix	trans	-64.7	-41.3	175.8	-65.4	-64.3	0	0	0	111.3	Y74 K75 L76 G81 K82	Y74-I78 VanDerWaalsContact O-CG1 3.28Å; Y74-I78 WeakPolarHBondContact O-CG1 3.45Å; Y74-I78 PolarHBondContact O-N 2.78Å; K75-I78 PolarHBondContact O-N 3.47Å; L76-I78 PolarHBondContact O-N 3.31Å; I78-G81 PolarHBondContact O-N 2.86Å; I78-K82 WeakPolarHBondContact O-CG 3.35Å; I78-K82 PolarHBondContact O-N 3.24Å
79	K	90.9	Very high	90.3	Very high	135 Å²	135	99.1 Å²	99.1	59%	0.587	52%	0.522	S	S	*	.	H	α-helix	trans	-64.4	-43.9	175.2	-76.7	-176.1	176.4	-171.8	0	111.8	K75 L76 K82 A83	K75-K79 WeakPolarHBondContact O-CG 3.5Å; K75-K79 PolarHBondContact O-N 2.84Å; L76-K79 PolarHBondContact O-N 3.39Å; K79-K82 PolarHBondContact O-N 3.15Å; K79-A83 WeakPolarHBondContact O-CB 3.43Å; K79-A83 PolarHBondContact O-N 3.39Å
80	A	89.9	Confident	90.7	Very high	58 Å²	58	99.7 Å²	99.7	48%	0.479	52%	0.52	S	S	.	.	H	α-helix	trans	-62.6	-42.6	176.1	0	0	0	0	0	111.3	L76 F77 A83 A84	L76-A80 WeakPolarHBondContact O-CB 3.47Å; L76-A80 PolarHBondContact O-N 2.87Å; F77-A80 PolarHBondContact O-N 2.85Å; A80-A83 PolarHBondContact O-N 3.09Å; A80-A84 WeakPolarHBondContact O-CB 3.43Å; A80-A84 PolarHBondContact O-N 3.17Å
81	G	93.7	Very high	90.9	Very high	39 Å²	39	103.3 Å²	103.3	40%	0.402	53%	0.534	S	S	.	.	H	α-helix	trans	-62.5	-42	174.7	0	0	0	0	0	113	F77 I78 A84 S85	F77-G81 PolarHBondContact O-N 2.86Å; I78-G81 PolarHBondContact O-N 2.86Å; G81-A84 PolarHBondContact O-N 3.16Å; G81-S85 PolarHBondContact O-N 3.22Å
82	K	93	Very high	91	Very high	141 Å²	141	101.7 Å²	101.7	61%	0.613	53%	0.529	S	S	*	.	H	α-helix	trans	-64.1	-42.7	173.3	-77	-174.9	178.8	-173.2	0	112.4	I78 K79 S85 Q86	I78-K82 WeakPolarHBondContact O-CG 3.35Å; I78-K82 PolarHBondContact O-N 3.24Å; K79-K82 PolarHBondContact O-N 3.15Å; K82-S85 PolarHBondContact O-N 3.06Å; K82-Q86 WeakPolarHBondContact O-CB 3.41Å; K82-Q86 WeakPolarHBondContact O-CG 3.38Å; K82-Q86 PolarHBondContact O-N 3.02Å
83	A	89.5	Confident	91	Very high	54 Å²	54	102.4 Å²	102.4	45%	0.446	53%	0.532	S	S	.	.	H	α-helix	trans	-64.3	-40.7	176.7	0	0	0	0	0	111.6	K79 A80 Q86 L87	K79-A83 WeakPolarHBondContact O-CB 3.43Å; K79-A83 PolarHBondContact O-N 3.39Å; A80-A83 PolarHBondContact O-N 3.09Å; A83-Q86 PolarHBondContact O-N 2.93Å; A83-L87 VanDerWaalsContact O-CB 3.29Å; A83-L87 WeakPolarHBondContact O-CB 3.47Å; A83-L87 PolarHBondContact O-N 3.36Å
84	A	90.2	Very high	91.2	Very high	57 Å²	57	102.2 Å²	102.2	47%	0.471	53%	0.53	S	S	.	.	H	α-helix	trans	-62.6	-44.1	175.2	0	0	0	0	0	111.8	A80 G81 L87 E88	A80-A84 WeakPolarHBondContact O-CB 3.43Å; A80-A84 PolarHBondContact O-N 3.17Å; G81-A84 PolarHBondContact O-N 3.16Å; A84-L87 PolarHBondContact O-N 2.82Å; A84-E88 WeakPolarHBondContact O-CB 3.42Å; A84-E88 PolarHBondContact O-N 2.74Å
85	S	91.4	Very high	91.3	Very high	58 Å²	58	100.1 Å²	100.1	41%	0.406	53%	0.526	S	S	.	.	H	α-helix	trans	-67.9	-37.8	176.6	178.2	0	0	0	0	112.9	G81 K82 E88 N89	G81-S85 PolarHBondContact O-N 3.22Å; K82-S85 PolarHBondContact O-N 3.06Å; S85-E88 PolarHBondContact O-N 2.92Å; S85-N89 PolarHBondContact O-N 3.14Å; S85-N89 PolarHBondContact O-ND2 3.25Å
86	Q	92.1	Very high	91.1	Very high	135 Å²	135	100.6 Å²	100.6	63%	0.631	53%	0.532	S	S	*	.	H	α-helix	trans	-64	-43.2	172.3	-77.6	178	-12.3	0	0	111.5	K82 A83 N89 T90	K82-Q86 WeakPolarHBondContact O-CB 3.41Å; K82-Q86 WeakPolarHBondContact O-CG 3.38Å; K82-Q86 PolarHBondContact O-N 3.02Å; A83-Q86 PolarHBondContact O-N 2.93Å; Q86-N89 PolarHBondContact O-N 2.81Å; Q86-T90 WeakPolarHBondContact O-CG2 3.29Å; Q86-T90 PolarHBondContact O-N 3.34Å; Q86-T90 PolarHBondContact O-OG1 3.44Å
87	L	91.8	Very high	91.1	Very high	117 Å²	117	98.6 Å²	98.6	61%	0.613	52%	0.52	S	S	*	.	H	α-helix	trans	-60.9	-44.9	175.8	-179.8	63.6	0	0	0	111.1	A83 A84 N89 T90 M91	A83-L87 VanDerWaalsContact O-CB 3.29Å; A83-L87 WeakPolarHBondContact O-CB 3.47Å; A83-L87 PolarHBondContact O-N 3.36Å; A84-L87 PolarHBondContact O-N 2.82Å; L87-N89 PolarHBondContact O-N 2.87Å; L87-T90 WeakPolarHBondContact CA-OG1 3.46Å; L87-T90 PolarHBondContact O-N 2.71Å; L87-T90 PolarHBondContact O-OG1 3.49Å; L87-M91 WeakPolarHBondContact O-CB 3.37Å; L87-M91 PolarHBondContact O-N 3.49Å
88	E	91.8	Very high	91.1	Very high	111 Å²	111	97.9 Å²	97.9	52%	0.519	52%	0.517	S	S	.	.	H	α-helix	trans	-57.7	-45.9	175.5	-175	176.5	-168.7	0	0	111.6	A84 S85 T90 M91 H92	A84-E88 WeakPolarHBondContact O-CB 3.42Å; A84-E88 PolarHBondContact O-N 2.74Å; S85-E88 PolarHBondContact O-N 2.92Å; E88-T90 PolarHBondContact O-N 2.8Å; E88-M91 WeakPolarHBondContact O-CB 3.3Å; E88-M91 PolarHBondContact O-N 2.81Å; E88-M91 VanDerWaalsContact O-N 3.17Å; E88-H92 PolarHBondContact O-CD2 3.18Å; E88-H92 PolarHBondContact O-N 3Å
89	N	91.8	Very high	90.7	Very high	101 Å²	101	96.2 Å²	96.2	54%	0.54	51%	0.511	S	S	.	.	H	α-helix	trans	-62.2	-43.7	175.7	-70.8	-23.2	0	0	0	112.4	S85 Q86 L87 M91 H92 Q93	S85-N89 PolarHBondContact O-N 3.14Å; S85-N89 PolarHBondContact O-ND2 3.25Å; Q86-N89 PolarHBondContact O-N 2.81Å; L87-N89 PolarHBondContact O-N 2.87Å; N89-M91 VanDerWaalsContact C-N 3.28Å; N89-M91 PolarHBondContact O-N 3.22Å; N89-H92 PolarHBondContact O-N 3.39Å; N89-Q93 PolarHBondContact O-N 3.33Å
90	T	93.2	Very high	90.3	Very high	62 Å²	62	95.2 Å²	95.2	38%	0.38	51%	0.508	S	S	.	.	H	α-helix	trans	-65.2	-33.9	175.3	59.4	0	0	0	0	112	Q86 L87 E88 Q93 I94	Q86-T90 WeakPolarHBondContact O-CG2 3.29Å; Q86-T90 PolarHBondContact O-N 3.34Å; Q86-T90 PolarHBondContact O-OG1 3.44Å; L87-T90 WeakPolarHBondContact CA-OG1 3.46Å; L87-T90 PolarHBondContact O-N 2.71Å; L87-T90 PolarHBondContact O-OG1 3.49Å; E88-T90 PolarHBondContact O-N 2.8Å; T90-Q93 PolarHBondContact O-N 3.33Å; T90-I94 WeakPolarHBondContact O-CB 3.49Å; T90-I94 WeakPolarHBondContact O-CD1 3.45Å; T90-I94 WeakPolarHBondContact O-CG1 3.33Å; T90-I94 PolarHBondContact O-N 3.01Å
91	M	90.8	Very high	89.9	Confident	137 Å²	137	98.8 Å²	98.8	68%	0.675	51%	0.513	S	S	*	.	H	α-helix	trans	-67.2	-41.3	176.9	-173.1	174.7	179.4	0	0	111.1	L87 E88 N89 I94 H95	L87-M91 WeakPolarHBondContact O-CB 3.37Å; L87-M91 PolarHBondContact O-N 3.49Å; E88-M91 WeakPolarHBondContact O-CB 3.3Å; E88-M91 PolarHBondContact O-N 2.81Å; E88-M91 VanDerWaalsContact O-N 3.17Å; N89-M91 VanDerWaalsContact C-N 3.28Å; N89-M91 PolarHBondContact O-N 3.22Å; M91-I94 PolarHBondContact O-N 3.24Å; M91-H95 WeakPolarHBondContact O-CB 3.39Å; M91-H95 PolarHBondContact O-N 3.04Å
92	H	89.7	Confident	89	Confident	106 Å²	106	100.2 Å²	100.2	49%	0.491	51%	0.51	S	S	.	.	H	α-helix	trans	-63.8	-40.9	171.8	-76.8	-61.7	0	0	0	112.5	E88 N89 H95 N96	E88-H92 PolarHBondContact O-CD2 3.18Å; E88-H92 PolarHBondContact O-N 3Å; N89-H92 PolarHBondContact O-N 3.39Å; H92-H95 PolarHBondContact O-N 3.19Å; H92-N96 PolarHBondContact O-N 3.34Å
93	Q	90.3	Very high	88	Confident	113 Å²	113	101.9 Å²	101.9	53%	0.528	51%	0.512	S	S	.	.	H	α-helix	trans	-62.7	-47.6	175.2	-175.7	-179.5	-6.4	0	0	111.7	N89 T90 H95 N96 E97	N89-Q93 PolarHBondContact O-N 3.33Å; T90-Q93 PolarHBondContact O-N 3.33Å; Q93-H95 VanDerWaalsContact C-N 3.29Å; Q93-H95 PolarHBondContact O-N 3.31Å; Q93-N96 PolarHBondContact O-N 2.98Å; Q93-E97 PolarHBondContact NE2-OE1 3.14Å; Q93-E97 PolarHBondContact O-N 3.41Å
94	I	92.1	Very high	87.2	Confident	107 Å²	107	103 Å²	103	55%	0.549	51%	0.513	S	S	.	.	H	α-helix	trans	-60.9	-40.2	176.7	-69.5	164.8	0	0	0	110.6	T90 M91 E97 F98	T90-I94 WeakPolarHBondContact O-CB 3.49Å; T90-I94 WeakPolarHBondContact O-CD1 3.45Å; T90-I94 WeakPolarHBondContact O-CG1 3.33Å; T90-I94 PolarHBondContact O-N 3.01Å; M91-I94 PolarHBondContact O-N 3.24Å; I94-E97 PolarHBondContact O-N 2.84Å; I94-F98 VanDerWaalsContact O-CB 3.3Å; I94-F98 WeakPolarHBondContact O-CB 3.32Å; I94-F98 PolarHBondContact O-N 3.24Å
95	H	91.5	Very high	86.1	Confident	111 Å²	111	104.9 Å²	104.9	51%	0.514	51%	0.513	S	S	.	.	H	α-helix	trans	-60.4	-46.8	176.2	-174.5	66.1	0	0	0	111.2	M91 H92 Q93 F98 T99	M91-H95 WeakPolarHBondContact O-CB 3.39Å; M91-H95 PolarHBondContact O-N 3.04Å; H92-H95 PolarHBondContact O-N 3.19Å; Q93-H95 VanDerWaalsContact C-N 3.29Å; Q93-H95 PolarHBondContact O-N 3.31Å; H95-F98 WeakPolarHBondContact O-CB 3.22Å; H95-F98 PolarHBondContact O-N 3.31Å; H95-T99 PolarHBondContact O-N 2.9Å; H95-T99 PolarHBondContact O-OG1 3.09Å
96	N	87.9	Confident	84.7	Confident	102 Å²	102	104 Å²	104	55%	0.545	50%	0.504	S	S	.	.	H	α-helix	trans	-60.7	-48	177.5	-72.2	-7.6	0	0	0	111.9	H92 Q93 F98 T99 E100	H92-N96 PolarHBondContact O-N 3.34Å; Q93-N96 PolarHBondContact O-N 2.98Å; N96-F98 VanDerWaalsContact C-N 3.28Å; N96-F98 PolarHBondContact O-N 2.8Å; N96-T99 VanDerWaalsContact CA-OG1 3.28Å; N96-T99 WeakPolarHBondContact CA-OG1 3.37Å; N96-T99 PolarHBondContact O-N 3.03Å; N96-T99 PolarHBondContact O-OG1 3.36Å; N96-E100 PolarHBondContact O-N 2.88Å
97	E	89.2	Confident	83.3	Confident	80 Å²	80	99.7 Å²	99.7	37%	0.374	49%	0.492	S	S	.	.	H	α-helix	trans	-60.9	-36.7	175.7	-73.6	-176.8	-161.5	0	0	112.2	Q93 I94 E100 K101	Q93-E97 PolarHBondContact NE2-OE1 3.14Å; Q93-E97 PolarHBondContact O-N 3.41Å; I94-E97 PolarHBondContact O-N 2.84Å; E97-E100 PolarHBondContact O-N 3.07Å; E97-K101 WeakPolarHBondContact O-CB 3.46Å; E97-K101 VanDerWaalsContact O-CG 3.31Å; E97-K101 WeakPolarHBondContact O-CG 3.33Å; E97-K101 PolarHBondContact O-N 2.81Å; E97-K101 IonicContact OE2-NZ 2.9Å
98	F	91.6	Very high	81.6	Confident	134 Å²	134	99.2 Å²	99.2	59%	0.588	49%	0.489	S	S	*	.	H	α-helix	trans	-67.8	-44.6	176.7	-172.6	-93.2	0	0	0	111.4	I94 H95 N96 E100 K101 Q102	I94-F98 VanDerWaalsContact O-CB 3.3Å; I94-F98 WeakPolarHBondContact O-CB 3.32Å; I94-F98 PolarHBondContact O-N 3.24Å; H95-F98 WeakPolarHBondContact O-CB 3.22Å; H95-F98 PolarHBondContact O-N 3.31Å; N96-F98 VanDerWaalsContact C-N 3.28Å; N96-F98 PolarHBondContact O-N 2.8Å; F98-E100 VanDerWaalsContact C-N 3.3Å; F98-E100 PolarHBondContact O-N 2.71Å; F98-K101 PolarHBondContact O-N 3.03Å; F98-Q102 WeakPolarHBondContact O-CB 3.07Å; F98-Q102 PolarHBondContact O-N 3.39Å
99	T	81.8	Confident	79.9	Confident	63 Å²	63	96.6 Å²	96.6	39%	0.387	48%	0.481	S	S	.	.	H	α-helix	trans	-61.4	-37.4	172.9	28.4	0	0	0	0	112.5	H95 N96 Q102 R103	H95-T99 PolarHBondContact O-N 2.9Å; H95-T99 PolarHBondContact O-OG1 3.09Å; N96-T99 VanDerWaalsContact CA-OG1 3.28Å; N96-T99 WeakPolarHBondContact CA-OG1 3.37Å; N96-T99 PolarHBondContact O-N 3.03Å; N96-T99 PolarHBondContact O-OG1 3.36Å; T99-Q102 PolarHBondContact O-N 3.31Å; T99-R103 WeakPolarHBondContact O-CB 3.36Å; T99-R103 PolarHBondContact O-N 3.11Å
100	E	82.7	Confident	78.1	Confident	113 Å²	113	95.4 Å²	95.4	53%	0.528	47%	0.472	S	S	.	.	H	α-helix	trans	-67.8	-46.2	176.3	-173.1	173.6	-169.2	0	0	111.5	N96 E97 F98 Q102 R103 V104	N96-E100 PolarHBondContact O-N 2.88Å; E97-E100 PolarHBondContact O-N 3.07Å; F98-E100 VanDerWaalsContact C-N 3.3Å; F98-E100 PolarHBondContact O-N 2.71Å; E100-Q102 VanDerWaalsContact C-N 3.31Å; E100-Q102 PolarHBondContact O-N 2.77Å; E100-R103 WeakPolarHBondContact O-CB 3.45Å; E100-R103 PolarHBondContact O-N 3.27Å; E100-R103 VanDerWaalsContact O-N 3.1Å; E100-V104 WeakPolarHBondContact O-CG2 3.36Å; E100-V104 PolarHBondContact O-N 2.88Å
101	K	82.9	Confident	76.2	Confident	133 Å²	133	96.9 Å²	96.9	58%	0.578	48%	0.477	S	S	*	.	H	α-helix	trans	-59.3	-41.3	174.2	-76.3	169.7	-178.6	152.4	0	111.9	E97 F98 R103 V104 M105	E97-K101 WeakPolarHBondContact O-CB 3.46Å; E97-K101 VanDerWaalsContact O-CG 3.31Å; E97-K101 WeakPolarHBondContact O-CG 3.33Å; E97-K101 PolarHBondContact O-N 2.81Å; E97-K101 IonicContact OE2-NZ 2.9Å; F98-K101 PolarHBondContact O-N 3.03Å; K101-R103 VanDerWaalsContact C-N 3.34Å; K101-V104 PolarHBondContact O-N 3.09Å; K101-M105 VanDerWaalsContact O-CB 3.29Å; K101-M105 WeakPolarHBondContact O-CB 3.11Å; K101-M105 PolarHBondContact O-N 3.46Å
102	Q	74	Confident	74.4	Confident	70 Å²	70	95 Å²	95	33%	0.327	48%	0.478	S	S	.	.	H	α-helix	trans	-62.4	-41.8	174.5	-175.1	62.7	50.8	0	0	111.5	F98 T99 E100 M105 N106	F98-Q102 WeakPolarHBondContact O-CB 3.07Å; F98-Q102 PolarHBondContact O-N 3.39Å; T99-Q102 PolarHBondContact O-N 3.31Å; E100-Q102 VanDerWaalsContact C-N 3.31Å; E100-Q102 PolarHBondContact O-N 2.77Å; Q102-M105 VanDerWaalsContact NE2-CE 3.35Å; Q102-M105 PolarHBondContact O-N 2.95Å; Q102-M105 VanDerWaalsContact OE1-CE 3.22Å; Q102-N106 PolarHBondContact NE2-OD1 2.92Å; Q102-N106 WeakPolarHBondContact O-CB 3.31Å; Q102-N106 PolarHBondContact O-N 2.86Å; Q102-N106 PolarHBondContact O-OD1 3.12Å
103	R	72.2	Confident	72.3	Confident	176 Å²	176	90.8 Å²	90.8	66%	0.664	46%	0.459	S	S	*	.	H	α-helix	trans	-62.2	-47.9	176.2	-170.8	-168.1	-68.1	140.5	-3.4	111.3	T99 E100 K101 N106 A107	T99-R103 WeakPolarHBondContact O-CB 3.36Å; T99-R103 PolarHBondContact O-N 3.11Å; E100-R103 WeakPolarHBondContact O-CB 3.45Å; E100-R103 PolarHBondContact O-N 3.27Å; E100-R103 VanDerWaalsContact O-N 3.1Å; K101-R103 VanDerWaalsContact C-N 3.34Å; R103-N106 PolarHBondContact O-N 2.98Å; R103-A107 PolarHBondContact O-N 3.01Å
104	V	72.8	Confident	70.3	Confident	76 Å²	76	88.4 Å²	88.4	46%	0.461	45%	0.446	S	S	.	.	H	α-helix	trans	-62.5	-43.6	177.7	174.2	0	0	0	0	110.9	E100 K101 N106 A107 L108	E100-V104 WeakPolarHBondContact O-CG2 3.36Å; E100-V104 PolarHBondContact O-N 2.88Å; K101-V104 PolarHBondContact O-N 3.09Å; V104-N106 VanDerWaalsContact C-N 3.35Å; V104-N106 PolarHBondContact O-N 3.48Å; V104-A107 PolarHBondContact O-N 3.37Å; V104-L108 HydrophobicContact CG1-CD1 3.99Å; V104-L108 HydrophobicContact CG1-CG 4.31Å; V104-L108 WeakPolarHBondContact O-CB 3.26Å; V104-L108 WeakPolarHBondContact O-CG 3.5Å; V104-L108 PolarHBondContact O-N 2.93Å
105	M	66.8	Low	67.9	Low	98 Å²	98	85.9 Å²	85.9	48%	0.483	45%	0.447	S	S	.	.	H	α-helix	trans	-62.5	-41.1	177	-176.5	171	60.1	0	0	111.9	K101 Q102 L108 T109	K101-M105 VanDerWaalsContact O-CB 3.29Å; K101-M105 WeakPolarHBondContact O-CB 3.11Å; K101-M105 PolarHBondContact O-N 3.46Å; Q102-M105 VanDerWaalsContact NE2-CE 3.35Å; Q102-M105 PolarHBondContact O-N 2.95Å; Q102-M105 VanDerWaalsContact OE1-CE 3.22Å; M105-L108 PolarHBondContact O-N 2.86Å; M105-T109 WeakPolarHBondContact O-CB 3.45Å; M105-T109 PolarHBondContact O-N 3.33Å; M105-T109 PolarHBondContact O-OG1 3.38Å
106	N	61.1	Low	65.1	Low	38 Å²	38	87.4 Å²	87.4	20%	0.203	46%	0.459	C	S	.	.	H	α-helix	trans	-62	-45.3	173.9	-72	-8.2	0	0	0	111.2	Q102 R103 V104 T109 E110	Q102-N106 PolarHBondContact NE2-OD1 2.92Å; Q102-N106 WeakPolarHBondContact O-CB 3.31Å; Q102-N106 PolarHBondContact O-N 2.86Å; Q102-N106 PolarHBondContact O-OD1 3.12Å; R103-N106 PolarHBondContact O-N 2.98Å; V104-N106 VanDerWaalsContact C-N 3.35Å; V104-N106 PolarHBondContact O-N 3.48Å; N106-T109 WeakPolarHBondContact O-CB 3.46Å; N106-T109 PolarHBondContact O-N 3.28Å; N106-E110 WeakPolarHBondContact O-CG 3.48Å; N106-E110 PolarHBondContact O-N 3.38Å
107	A	62.5	Low	62.4	Low	46 Å²	46	88.5 Å²	88.5	38%	0.38	46%	0.464	S	S	.	.	H	α-helix	trans	-63.2	-41.8	177.3	0	0	0	0	0	112.5	R103 V104 T109 E110 L111	R103-A107 PolarHBondContact O-N 3.01Å; V104-A107 PolarHBondContact O-N 3.37Å; A107-T109 VanDerWaalsContact C-N 3.31Å; A107-T109 PolarHBondContact O-N 2.87Å; A107-E110 WeakPolarHBondContact O-CB 3.29Å; A107-E110 PolarHBondContact O-N 3.32Å; A107-L111 WeakPolarHBondContact O-CG 3.39Å; A107-L111 PolarHBondContact O-N 3.25Å
108	L	57.5	Low	59.5	Low	106 Å²	106	91.8 Å²	91.8	56%	0.555	48%	0.482	S	S	*	.	H	α-helix	trans	-65.2	-36.5	173.8	-71.7	173.7	0	0	0	111.9	V104 M105 L111 S112	V104-L108 HydrophobicContact CG1-CD1 3.99Å; V104-L108 HydrophobicContact CG1-CG 4.31Å; V104-L108 WeakPolarHBondContact O-CB 3.26Å; V104-L108 WeakPolarHBondContact O-CG 3.5Å; V104-L108 PolarHBondContact O-N 2.93Å; M105-L108 PolarHBondContact O-N 2.86Å; L108-L111 HydrophobicContact CD2-CD1 4.48Å; L108-L111 PolarHBondContact O-N 2.93Å; L108-S112 WeakPolarHBondContact O-CB 3.46Å; L108-S112 PolarHBondContact O-N 3.45Å
109	T	55.8	Low	56.5	Low	57 Å²	57	92.1 Å²	92.1	35%	0.35	50%	0.496	S	S	.	.	H	α-helix	trans	-64.3	-43.5	173.9	-53.6	0	0	0	0	110	M105 N106 A107 S112 L113	M105-T109 WeakPolarHBondContact O-CB 3.45Å; M105-T109 PolarHBondContact O-N 3.33Å; M105-T109 PolarHBondContact O-OG1 3.38Å; N106-T109 WeakPolarHBondContact O-CB 3.46Å; N106-T109 PolarHBondContact O-N 3.28Å; A107-T109 VanDerWaalsContact C-N 3.31Å; A107-T109 PolarHBondContact O-N 2.87Å; T109-S112 PolarHBondContact O-N 2.84Å; T109-L113 HydrophobicContact CG2-CD1 3.91Å; T109-L113 HydrophobicContact CG2-CG 4.3Å; T109-L113 VanDerWaalsContact O-CB 3.29Å; T109-L113 WeakPolarHBondContact O-CB 3.48Å; T109-L113 WeakPolarHBondContact O-CD1 3.31Å; T109-L113 WeakPolarHBondContact O-CG 3.44Å; T109-L113 PolarHBondContact O-N 3.02Å
110	E	54.7	Low	53.9	Low	75 Å²	75	96.3 Å²	96.3	35%	0.35	52%	0.515	S	S	.	.	H	α-helix	trans	-61.7	-46.5	174.6	-75.2	174.5	-168.1	0	0	112.5	N106 A107 S112 L113 F114 I526	N106-E110 WeakPolarHBondContact O-CG 3.48Å; N106-E110 PolarHBondContact O-N 3.38Å; A107-E110 WeakPolarHBondContact O-CB 3.29Å; A107-E110 PolarHBondContact O-N 3.32Å; E110-S112 VanDerWaalsContact C-N 3.31Å; E110-S112 PolarHBondContact O-N 3.28Å; E110-L113 CarbonylContact O-C 3.43Å; E110-L113 WeakPolarHBondContact O-CB 3.35Å; E110-L113 PolarHBondContact O-N 3.17Å; E110-F114 HydrophobicContact CB-CD2 4.41Å; E110-F114 WeakPolarHBondContact O-CD2 3.45Å; E110-F114 PolarHBondContact O-N 3.36Å; E110-I526 HydrophobicContact CG-CD1 3.73Å
111	L	53.1	Low	51.2	Low	93 Å²	93	97 Å²	97	49%	0.487	53%	0.527	S	S	.	.	H	α-helix	trans	-60.6	-41.7	175.4	-72.8	168.3	0	0	0	111.7	A107 L108 L113 G115	A107-L111 WeakPolarHBondContact O-CG 3.39Å; A107-L111 PolarHBondContact O-N 3.25Å; L108-L111 HydrophobicContact CD2-CD1 4.48Å; L108-L111 PolarHBondContact O-N 2.93Å; L111-L113 VanDerWaalsContact C-N 3.29Å; L111-L113 PolarHBondContact O-N 3.45Å; L111-G115 WeakPolarHBondContact O-CA 3.33Å; L111-G115 PolarHBondContact O-N 2.88Å
112	S	51.9	Low	48.6	Very low	99 Å²	99	96.4 Å²	96.4	69%	0.692	54%	0.54	S	S	*	.	H	α-helix	trans	-68	-27.6	174.5	-175.3	0	0	0	0	113	L108 T109 E110	L108-S112 WeakPolarHBondContact O-CB 3.46Å; L108-S112 PolarHBondContact O-N 3.45Å; T109-S112 PolarHBondContact O-N 2.84Å; E110-S112 VanDerWaalsContact C-N 3.31Å; E110-S112 PolarHBondContact O-N 3.28Å
113	L	45.9	Very low	46.2	Very low	17 Å²	17	97.7 Å²	97.7	9%	0.089	56%	0.563	C	S	.	*	H	α-helix	trans	-80	-35.4	178.5	-77	168.1	0	0	0	112.1	T109 E110 L111 I526 N529	T109-L113 HydrophobicContact CG2-CD1 3.91Å; T109-L113 HydrophobicContact CG2-CG 4.3Å; T109-L113 VanDerWaalsContact O-CB 3.29Å; T109-L113 WeakPolarHBondContact O-CB 3.48Å; T109-L113 WeakPolarHBondContact O-CD1 3.31Å; T109-L113 WeakPolarHBondContact O-CG 3.44Å; T109-L113 PolarHBondContact O-N 3.02Å; E110-L113 CarbonylContact O-C 3.43Å; E110-L113 WeakPolarHBondContact O-CB 3.35Å; E110-L113 PolarHBondContact O-N 3.17Å; L111-L113 VanDerWaalsContact C-N 3.29Å; L111-L113 PolarHBondContact O-N 3.45Å; L113-I526 HydrophobicContact CD1-CG1 4.44Å; L113-I526 HydrophobicContact CD1-CG2 4.49Å; L113-N529 HydrophobicContact CD2-CB 4.39Å
114	F	48.9	Very low	44.1	Very low	62 Å²	62	94.9 Å²	94.9	27%	0.272	57%	0.57	S	S	.	*	H	α-helix	trans	-115.4	-12.6	-168.3	-64.1	-65.3	0	0	0	115.9	E110 N523 L525 I526	E110-F114 HydrophobicContact CB-CD2 4.41Å; E110-F114 WeakPolarHBondContact O-CD2 3.45Å; E110-F114 PolarHBondContact O-N 3.36Å; F114-N523 WeakPolarHBondContact CZ-ND2 3.36Å; F114-L525 HydrophobicContact CE1-CD2 3.92Å; F114-L525 HydrophobicContact CZ-CD2 4.41Å; F114-I526 HydrophobicContact CE2-CD1 3.72Å; F114-I526 HydrophobicContact CE2-CG1 3.48Å; F114-I526 VanDerWaalsContact CE2-CG1 3.48Å; F114-I526 HydrophobicContact CZ-CD1 4.25Å; F114-I526 HydrophobicContact CZ-CG1 3.65Å
115	G	40.9	Very low	41.7	Very low	55 Å²	55	100.4 Å²	100.4	57%	0.567	59%	0.591	S	S	*	*			trans	47.8	91.2	-179.6	0	0	0	0	0	113.5	L111 I117	L111-G115 WeakPolarHBondContact O-CA 3.33Å; L111-G115 PolarHBondContact O-N 2.88Å; G115-I117 PolarHBondContact O-N 2.78Å; G115-I117 VanDerWaalsContact O-N 3.12Å
116	D	33.4	Very low	39.8	Very low	143 Å²	143	107.4 Å²	107.4	77%	0.765	61%	0.612	S	S	*	*			trans	25.5	68.1	173.9	-69.8	-7.2	0	0	0	116.3
117	I	30.8	Very low	37.9	Very low	124 Å²	124	110.2 Å²	110.2	64%	0.636	64%	0.64	S	S	*	*			trans	-91.8	104.9	161.3	-58.7	172.6	0	0	0	106.4	G115	G115-I117 PolarHBondContact O-N 2.78Å; G115-I117 VanDerWaalsContact O-N 3.12Å
118	I	28.7	Very low	35.9	Very low	149 Å²	149	116.2 Å²	116.2	76%	0.764	66%	0.662	S	S	*	*			trans	91.8	105.2	167.6	-51.2	149	0	0	0	116.1
119	T	28.3	Very low	34.2	Very low	142 Å²	142	116.3 Å²	116.3	87%	0.871	67%	0.672	S	S	*	*			trans	-154.8	84.8	132	-41.1	0	0	0	0	109.1
120	D	26.9	Very low	32.6	Very low	150 Å²	150	121.9 Å²	121.9	80%	0.802	70%	0.698	S	S	*	*			trans	-116.4	72.3	174	-164.7	16.1	0	0	0	108.9
121	V	26.8	Very low	30.9	Very low	128 Å²	128	123.3 Å²	123.3	78%	0.776	72%	0.716	S	S	*	*			trans	-156.7	87	164.6	-173	0	0	0	0	107.3
122	S	26.7	Very low	29.4	Very low	121 Å²	121	127.8 Å²	127.8	85%	0.846	74%	0.735	S	S	*	*			trans	166.8	61.7	152.5	-76.6	0	0	0	0	111.5
123	A	25.3	Very low	28.1	Very low	97 Å²	97	130.3 Å²	130.3	80%	0.802	75%	0.746	S	S	*	*			trans	-127.5	17.6	174.8	0	0	0	0	0	114
124	S	26.2	Very low	27	Very low	117 Å²	117	136.8 Å²	136.8	82%	0.818	78%	0.78	S	S	*	*	S	Bend	trans	-96.1	5.7	-173.2	-164.3	0	0	0	0	116.5
125	E	23.8	Very low	25.8	Very low	192 Å²	192	142.5 Å²	142.5	90%	0.897	81%	0.808	S	S	*	*	S	Bend	trans	-123.4	2.2	-178.2	-76.4	-167.5	163.3	0	0	116.7
126	R	25.6	Very low	24.9	Very low	244 Å²	244	149.9 Å²	149.9	92%	0.921	82%	0.824	S	S	*	*			trans	-104.8	17.8	-178.1	-95.4	-172.5	-73.9	-156.2	-2.9	116.2
127	A	21.2	Very low	24.5	Very low	97 Å²	97	147.9 Å²	147.9	80%	0.802	83%	0.828	S	S	*	*			trans	-102.5	48	178.3	0	0	0	0	0	112.9
128	M	22.2	Very low	24.2	Very low	172 Å²	172	150 Å²	150	85%	0.847	84%	0.835	S	S	*	*	S	Bend	trans	-141.9	132	160	-77.8	-177.7	72.2	0	0	108.9
129	S	21.5	Very low	24.3	Very low	108 Å²	108	149.4 Å²	149.4	76%	0.755	83%	0.833	S	S	*	*			trans	85.1	88.8	171.8	-45	0	0	0	0	116.1
130	I	22.4	Very low	24.8	Very low	174 Å²	174	148.2 Å²	148.2	89%	0.892	82%	0.821	S	S	*	*				-166.2	104.7	114	-85.4	145	0	0	0	106.5
131	S	19.3	Very low	25.5	Very low	106 Å²	106	145.1 Å²	145.1	74%	0.741	81%	0.809	S	S	*	*			trans	-107.3	150.7	167.9	-57.2	0	0	0	0	108.2
132	Q	21	Very low	26.2	Very low	187 Å²	187	144.4 Å²	144.4	87%	0.874	81%	0.81	S	S	*	*			trans	70.9	103.6	162.7	-61.8	178.8	-29.9	0	0	117.7
133	V	24.8	Very low	27.9	Very low	152 Å²	152	139.5 Å²	139.5	92%	0.921	78%	0.776	S	S	*	*				-145.3	134.9	129.7	-175.2	0	0	0	0	109.7
134	D	22.5	Very low	29.7	Very low	153 Å²	153	142 Å²	142	82%	0.818	77%	0.77	S	S	*	*			trans	-41.7	153.9	-175.9	-89.2	-41.7	0	0	0	121.6
135	E	22.9	Very low	31.5	Very low	182 Å²	182	138.1 Å²	138.1	85%	0.85	74%	0.74	S	S	*	*			trans	-61	126.6	159.7	-57	-177.5	147.1	0	0	112.9
136	K	23.3	Very low	33.7	Very low	209 Å²	209	131.9 Å²	131.9	91%	0.909	72%	0.717	S	S	*	*			trans	-150.2	99.6	145.7	-70.8	-163	179.7	176.7	0	109.5
137	A	24.1	Very low	35.7	Very low	101 Å²	101	122.4 Å²	122.4	84%	0.835	70%	0.696	S	S	*	*			trans	-83.2	104.8	168.5	0	0	0	0	0	109.1
138	E	25.6	Very low	38.4	Very low	168 Å²	168	119.4 Å²	119.4	79%	0.785	67%	0.665	S	S	*	*			trans	-154.2	131.8	158.5	-79.6	-149.2	176.8	0	0	111.7
139	N	29.2	Very low	41	Very low	137 Å²	137	112.8 Å²	112.8	73%	0.733	64%	0.636	S	S	*	*			trans	68.1	84.3	155.7	-54.1	-34.7	0	0	0	118.7	P141	N139-P141 WeakPolarHBondContact O-CD 3.44Å
140	L	38.8	Very low	43.5	Very low	118 Å²	118	107.9 Å²	107.9	62%	0.618	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-77.2	116	166	-166.2	69.7	0	0	0	110	R264	L140-R264 HydrophobicContact CD1-CG 4.12Å
141	P	42.5	Very low	45.9	Very low	84 Å²	84	103.2 Å²	103.2	55%	0.545	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-70.3	146.5	-175.7	24.2	-31	0	0	0	113.3	N139 R264	N139-P141 WeakPolarHBondContact O-CD 3.44Å; P141-R264 PolarHBondContact O-NH2 2.94Å
142	S	41.4	Very low	48.8	Very low	114 Å²	114	102.7 Å²	102.7	80%	0.797	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-56.5	135	-177.4	46.7	0	0	0	0	114.2
143	S	61.9	Low	51.7	Low	18 Å²	18	93.8 Å²	93.8	13%	0.126	53%	0.526	C	S	.	.	P	Polyproline II helix	trans	-88	157.9	164.7	79.7	0	0	0	0	110.8	H145 S146 D174	S143-H145 VanDerWaalsContact C-N 3.29Å; S143-H145 PolarHBondContact O-N 3.01Å; S143-S146 WeakPolarHBondContact OG-CB 3.42Å; S143-S146 PolarHBondContact OG-N 3.08Å; S143-D174 WeakPolarHBondContact CB-OD1 3.2Å; S143-D174 PolarHBondContact OG-N 3.36Å; S143-D174 PolarHBondContact OG-OD1 3.08Å
144	E	62.8	Low	54.1	Low	148 Å²	148	87.2 Å²	87.2	69%	0.692	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-32.7	-170.9	-66.3	178.6	160.8	0	0	113.3	D174 R192	E144-D174 PolarHBondContact N-OD1 3.35Å; E144-R192 IonicContact OE2-CZ 2.89Å; E144-R192 IonicContact OE2-NH1 3.17Å; E144-R192 IonicContact OE2-NH2 2.79Å; E144-R192 PolarHBondContact OE2-NH2 3.43Å
145	H	65.3	Low	56.9	Low	37 Å²	37	86.9 Å²	86.9	17%	0.171	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	19.1	-175.3	-57.7	90.7	0	0	0	113	S143 G147 I148 D174	S143-H145 VanDerWaalsContact C-N 3.29Å; S143-H145 PolarHBondContact O-N 3.01Å; H145-G147 PolarHBondContact O-N 3.36Å; H145-I148 HydrophobicContact CB-CD1 3.63Å; H145-I148 HydrophobicContact CB-CG1 4.32Å; H145-I148 WeakPolarHBondContact O-CB 3.36Å; H145-I148 VanDerWaalsContact O-CG1 3.31Å; H145-I148 WeakPolarHBondContact O-CG1 3.39Å; H145-I148 PolarHBondContact O-N 3.17Å; H145-D174 HydrophobicContact CB-CB 4.49Å; H145-D174 IonicContact CE1-OD2 2.71Å; H145-D174 IonicContact CG-OD2 3.45Å; H145-D174 PolarHBondContact N-OD1 3.23Å; H145-D174 IonicContact ND1-OD2 3.22Å; H145-D174 PolarHBondContact ND1-OD2 3.14Å
146	S	69.1	Low	59.6	Low	60 Å²	60	80.2 Å²	80.2	42%	0.42	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	135.4	177.1	78.4	0	0	0	0	111.2	S143 I148	S143-S146 WeakPolarHBondContact OG-CB 3.42Å; S143-S146 PolarHBondContact OG-N 3.08Å; S146-I148 VanDerWaalsContact C-N 3.33Å; S146-I148 PolarHBondContact O-N 2.9Å
147	G	67.8	Low	62.4	Low	46 Å²	46	70.2 Å²	70.2	47%	0.474	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	-7.7	176.4	0	0	0	0	0	115.6	H145 V171	H145-G147 PolarHBondContact O-N 3.36Å; G147-V171 PolarHBondContact N-O 3.17Å
148	I	77.3	Confident	65	Low	33 Å²	33	67.9 Å²	67.9	17%	0.169	38%	0.38	C	S	.	.			trans	-62.2	139.7	176.8	-65.7	-168.7	0	0	0	110.5	H145 S146 Q152 V171	H145-I148 HydrophobicContact CB-CD1 3.63Å; H145-I148 HydrophobicContact CB-CG1 4.32Å; H145-I148 WeakPolarHBondContact O-CB 3.36Å; H145-I148 VanDerWaalsContact O-CG1 3.31Å; H145-I148 WeakPolarHBondContact O-CG1 3.39Å; H145-I148 PolarHBondContact O-N 3.17Å; S146-I148 VanDerWaalsContact C-N 3.33Å; S146-I148 PolarHBondContact O-N 2.9Å; I148-Q152 HydrophobicContact CG2-CB 3.22Å; I148-Q152 HydrophobicContact CG2-CG 4.23Å; I148-V171 PolarHBondContact O-N 3.35Å
149	S	76.9	Confident	67.4	Low	34 Å²	34	61.8 Å²	61.8	24%	0.238	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-76.3	158.2	177.7	58.3	0	0	0	0	112	T151 Q152 L153	S149-T151 PolarHBondContact O-N 3.41Å; S149-T151 VanDerWaalsContact O-N 3.11Å; S149-T151 PolarHBondContact OG-OG1 3.43Å; S149-Q152 PolarHBondContact O-N 3.02Å; S149-L153 PolarHBondContact O-N 3.4Å
150	A	74.2	Confident	69.7	Low	5 Å²	5	55.3 Å²	55.3	4%	0.041	33%	0.327	C	S	.	.	H	α-helix	trans	-56.7	-28.8	176.8	0	0	0	0	0	113.4	L153 A154 R169	A150-L153 PolarHBondContact O-N 3.4Å; A150-A154 PolarHBondContact O-N 2.87Å; A150-A154 VanDerWaalsContact O-N 3.12Å; A150-R169 HydrophobicContact CB-CB 3.97Å; A150-R169 PolarHBondContact N-O 3.03Å
151	T	74.4	Confident	71.3	Confident	76 Å²	76	53.7 Å²	53.7	47%	0.466	33%	0.326	S	S	.	.	H	α-helix	trans	-64.5	-46.9	173.9	49.2	0	0	0	0	112.8	S149 L153 A154 V164	S149-T151 PolarHBondContact O-N 3.41Å; S149-T151 VanDerWaalsContact O-N 3.11Å; S149-T151 PolarHBondContact OG-OG1 3.43Å; T151-L153 VanDerWaalsContact C-N 3.31Å; T151-A154 WeakPolarHBondContact O-CB 3.04Å; T151-A154 PolarHBondContact O-N 2.88Å; T151-V164 HydrophobicContact CG2-CG1 3.61Å
152	Q	79.1	Confident	72.8	Confident	94 Å²	94	55.7 Å²	55.7	44%	0.439	34%	0.336	S	S	.	.	H	α-helix	trans	-69.5	-31.4	177	-71.2	174.2	-38.2	0	0	111.4	I148 S149 A154 E155 L156	I148-Q152 HydrophobicContact CG2-CB 3.22Å; I148-Q152 HydrophobicContact CG2-CG 4.23Å; S149-Q152 PolarHBondContact O-N 3.02Å; Q152-A154 VanDerWaalsContact C-N 3.27Å; Q152-A154 PolarHBondContact O-N 2.98Å; Q152-E155 WeakPolarHBondContact O-CB 3.49Å; Q152-E155 PolarHBondContact O-N 3.3Å; Q152-E155 VanDerWaalsContact O-N 3.15Å; Q152-L156 PolarHBondContact O-N 2.94Å
153	L	81.2	Confident	74.2	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-62.9	-35.2	171.5	-174	66.3	0	0	0	111.9	S149 A150 T151 E155 L156 V157 A160 L163 V171 F194 L196	S149-L153 PolarHBondContact O-N 3.4Å; A150-L153 PolarHBondContact O-N 3.4Å; T151-L153 VanDerWaalsContact C-N 3.31Å; L153-E155 PolarHBondContact O-N 3.18Å; L153-L156 PolarHBondContact O-N 3.34Å; L153-L156 VanDerWaalsContact O-N 3.11Å; L153-V157 HydrophobicContact CD1-CG2 3.87Å; L153-V157 HydrophobicContact CG-CG2 4.38Å; L153-V157 PolarHBondContact O-N 3.03Å; L153-A160 HydrophobicContact CG-CB 4.45Å; L153-L163 HydrophobicContact CD2-CD1 4.13Å; L153-V171 HydrophobicContact CD1-CG2 4.41Å; L153-V171 HydrophobicContact CD2-CG2 4.23Å; L153-F194 HydrophobicContact CD1-CD1 3.81Å; L153-F194 HydrophobicContact CD1-CD2 4.29Å; L153-F194 HydrophobicContact CD1-CE1 3.9Å; L153-F194 HydrophobicContact CD1-CE2 4.37Å; L153-F194 HydrophobicContact CD1-CG 4.02Å; L153-F194 HydrophobicContact CD1-CZ 4.17Å; L153-L196 HydrophobicContact CD2-CD1 4.07Å; L153-L196 HydrophobicContact CD2-CD2 4.18Å
154	A	76.9	Confident	74.5	Confident	13 Å²	13	52.3 Å²	52.3	11%	0.107	31%	0.31	C	S	.	.	H	α-helix	trans	-68.1	-18.1	175.5	0	0	0	0	0	113.8	A150 T151 Q152 A160 V164 Y212	A150-A154 PolarHBondContact O-N 2.87Å; A150-A154 VanDerWaalsContact O-N 3.12Å; T151-A154 WeakPolarHBondContact O-CB 3.04Å; T151-A154 PolarHBondContact O-N 2.88Å; Q152-A154 VanDerWaalsContact C-N 3.27Å; Q152-A154 PolarHBondContact O-N 2.98Å; A154-A160 HydrophobicContact CB-CB 4.5Å; A154-V164 HydrophobicContact CB-CG2 3.83Å; A154-Y212 WeakPolarHBondContact O-CE1 3.48Å
155	E	79.9	Confident	74.4	Confident	146 Å²	146	48.7 Å²	48.7	68%	0.682	31%	0.312	S	S	*	.	H	α-helix	trans	-82.4	-21.8	171.3	-63.4	178.7	176	0	0	112.5	Q152 L153 Y212	Q152-E155 WeakPolarHBondContact O-CB 3.49Å; Q152-E155 PolarHBondContact O-N 3.3Å; Q152-E155 VanDerWaalsContact O-N 3.15Å; L153-E155 PolarHBondContact O-N 3.18Å; E155-Y212 WeakPolarHBondContact O-CD1 3.42Å; E155-Y212 WeakPolarHBondContact O-CE1 3.2Å
156	L	80.5	Confident	74.2	Confident	42 Å²	42	50.5 Å²	50.5	22%	0.22	32%	0.323	C	S	.	.	H	α-helix	trans	-95.4	-33.8	-179.4	-67.5	171.3	0	0	0	113.2	Q152 L153 P213 Y214	Q152-L156 PolarHBondContact O-N 2.94Å; L153-L156 PolarHBondContact O-N 3.34Å; L153-L156 VanDerWaalsContact O-N 3.11Å; L156-P213 HydrophobicContact CD2-CG 4.49Å; L156-P213 VanDerWaalsContact O-CD 3.23Å; L156-P213 WeakPolarHBondContact O-CD 3.31Å; L156-P213 WeakPolarHBondContact O-CG 3.47Å; L156-Y214 PolarHBondContact O-N 3.35Å
157	V	82	Confident	73.9	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	114	-172.9	-173.9	0	0	0	0	110.2	L153 G159 A160 F194 A203 Y214 L216	L153-V157 HydrophobicContact CD1-CG2 3.87Å; L153-V157 HydrophobicContact CG-CG2 4.38Å; L153-V157 PolarHBondContact O-N 3.03Å; V157-G159 PolarHBondContact O-N 3.25Å; V157-A160 HydrophobicContact CB-CB 3.81Å; V157-A160 HydrophobicContact CG1-CB 4.18Å; V157-A160 WeakPolarHBondContact O-CB 3.48Å; V157-A160 PolarHBondContact O-N 3.04Å; V157-F194 HydrophobicContact CG2-CE2 3.85Å; V157-F194 HydrophobicContact CG2-CZ 4.17Å; V157-A203 HydrophobicContact CG1-CB 3.8Å; V157-A203 HydrophobicContact CG2-CB 4.46Å; V157-Y214 CarbonylContact C-O 3.24Å; V157-Y214 WeakPolarHBondContact CA-O 3.38Å; V157-L216 HydrophobicContact CG1-CB 3.86Å
158	E	78.1	Confident	74	Confident	52 Å²	52	55.5 Å²	55.5	24%	0.243	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	121.1	172.2	-170.1	-174.2	137	0	0	109.6	S210 Y212 Y214 R215 L216	E158-S210 PolarHBondContact OE2-OG 3.08Å; E158-Y212 HydrophobicContact CB-CD2 3.8Å; E158-Y212 HydrophobicContact CB-CG 3.88Å; E158-Y212 HydrophobicContact CG-CD2 3.96Å; E158-Y212 HydrophobicContact CG-CE2 4.5Å; E158-Y214 PolarHBondContact N-O 2.86Å; E158-R215 HydrophobicContact CB-CB 4.48Å; E158-R215 HydrophobicContact CB-CG 4.48Å; E158-R215 IonicContact OE1-CZ 2.74Å; E158-R215 IonicContact OE1-NH1 2.71Å; E158-R215 PolarHBondContact OE1-NH1 2.97Å; E158-L216 VanDerWaalsContact O-CB 3.25Å; E158-L216 WeakPolarHBondContact O-CB 3.36Å; E158-L216 PolarHBondContact O-N 2.89Å
159	G	76.6	Confident	74.1	Confident	40 Å²	40	55.8 Å²	55.8	41%	0.412	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.8	-6.1	-178.9	0	0	0	0	0	115.5	V157 S161 L216	V157-G159 PolarHBondContact O-N 3.25Å; G159-S161 PolarHBondContact O-N 3.48Å; G159-L216 WeakPolarHBondContact O-CD2 3.24Å
160	A	76.8	Confident	74.2	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-73.6	-0.9	178.1	0	0	0	0	0	114.5	L153 A154 V157 V162 L163	L153-A160 HydrophobicContact CG-CB 4.45Å; A154-A160 HydrophobicContact CB-CB 4.5Å; V157-A160 HydrophobicContact CB-CB 3.81Å; V157-A160 HydrophobicContact CG1-CB 4.18Å; V157-A160 WeakPolarHBondContact O-CB 3.48Å; V157-A160 PolarHBondContact O-N 3.04Å; A160-V162 PolarHBondContact O-N 3.06Å; A160-V162 VanDerWaalsContact O-N 3.1Å; A160-L163 HydrophobicContact CB-CD1 4.26Å; A160-L163 WeakPolarHBondContact O-CB 3.33Å; A160-L163 PolarHBondContact O-N 3.43Å
161	S	72.5	Confident	74.6	Confident	84 Å²	84	61.3 Å²	61.3	59%	0.587	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-56.1	-26.2	174.1	-46.8	0	0	0	0	113.4	G159 L163 V164	G159-S161 PolarHBondContact O-N 3.48Å; S161-L163 PolarHBondContact O-N 2.83Å; S161-V164 PolarHBondContact O-N 3.38Å
162	V	73.2	Confident	75	Confident	126 Å²	126	60.8 Å²	60.8	76%	0.764	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-61.5	-25.1	175.7	-177.9	0	0	0	0	112.1	A160	A160-V162 PolarHBondContact O-N 3.06Å; A160-V162 VanDerWaalsContact O-N 3.1Å
163	L	71	Confident	75.4	Confident	6 Å²	6	57 Å²	57	3%	0.031	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-86.4	-11.3	-176.8	-59.5	170.4	0	0	0	113.8	L153 A160 S161 G165 L196 T199 V201 T219	L153-L163 HydrophobicContact CD2-CD1 4.13Å; A160-L163 HydrophobicContact CB-CD1 4.26Å; A160-L163 WeakPolarHBondContact O-CB 3.33Å; A160-L163 PolarHBondContact O-N 3.43Å; S161-L163 PolarHBondContact O-N 2.83Å; L163-G165 PolarHBondContact O-N 3.25Å; L163-L196 HydrophobicContact CD1-CD2 4.48Å; L163-T199 HydrophobicContact CD2-CG2 4.33Å; L163-V201 HydrophobicContact CD1-CG2 3.56Å; L163-T219 HydrophobicContact CD2-CG2 4.26Å
164	V	68.5	Low	75.7	Confident	56 Å²	56	57.2 Å²	57.2	34%	0.339	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-73.2	-12.4	-172.5	178.6	0	0	0	0	113	T151 A154 S161 D166	T151-V164 HydrophobicContact CG2-CG1 3.61Å; A154-V164 HydrophobicContact CB-CG2 3.83Å; S161-V164 PolarHBondContact O-N 3.38Å; V164-D166 PolarHBondContact O-N 3.19Å
165	G	61.6	Low	76.2	Confident	72 Å²	72	57.2 Å²	57.2	74%	0.742	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-57.8	-30.7	-176.7	0	0	0	0	0	115	L163	L163-G165 PolarHBondContact O-N 3.25Å
166	D	61.4	Low	76.5	Confident	74 Å²	74	54 Å²	54	40%	0.396	33%	0.33	S	S	.	.			trans	-108.3	107.8	-177.9	-69.9	-31.9	0	0	0	111.1	V164 S168 R169	V164-D166 PolarHBondContact O-N 3.19Å; D166-S168 PolarHBondContact O-N 2.99Å; D166-S168 VanDerWaalsContact O-N 3.08Å; D166-R169 HydrophobicContact CB-CG 3.82Å; D166-R169 WeakPolarHBondContact O-CB 3.38Å; D166-R169 PolarHBondContact O-N 3.45Å; D166-R169 VanDerWaalsContact O-N 3.08Å; D166-R169 IonicContact OD2-CZ 3.84Å; D166-R169 VanDerWaalsContact OD2-CZ 3.26Å; D166-R169 IonicContact OD2-NE 3.77Å; D166-R169 PolarHBondContact OD2-NE 2.81Å; D166-R169 IonicContact OD2-NH2 3.88Å; D166-R169 PolarHBondContact OD2-NH2 2.85Å
167	S	61.6	Low	77.1	Confident	128 Å²	128	52.1 Å²	52.1	90%	0.895	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-15.5	-179.2	63.3	0	0	0	0	114.2	R169	S167-R169 VanDerWaalsContact C-N 3.34Å
168	S	69.5	Low	77.4	Confident	83 Å²	83	55.8 Å²	55.8	58%	0.58	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-13.6	176.4	58.1	0	0	0	0	113.6	D166 R170	D166-S168 PolarHBondContact O-N 2.99Å; D166-S168 VanDerWaalsContact O-N 3.08Å; S168-R170 PolarHBondContact O-N 3.04Å
169	R	79.2	Confident	78	Confident	40 Å²	40	54.1 Å²	54.1	15%	0.151	33%	0.326	C	S	.	.			trans	-74.3	121	-176.6	-72.2	-176.2	-171	178.1	9.9	112.2	A150 D166 S167 L196 D198	A150-R169 HydrophobicContact CB-CB 3.97Å; A150-R169 PolarHBondContact N-O 3.03Å; D166-R169 HydrophobicContact CB-CG 3.82Å; D166-R169 WeakPolarHBondContact O-CB 3.38Å; D166-R169 PolarHBondContact O-N 3.45Å; D166-R169 VanDerWaalsContact O-N 3.08Å; D166-R169 IonicContact OD2-CZ 3.84Å; D166-R169 VanDerWaalsContact OD2-CZ 3.26Å; D166-R169 IonicContact OD2-NE 3.77Å; D166-R169 PolarHBondContact OD2-NE 2.81Å; D166-R169 IonicContact OD2-NH2 3.88Å; D166-R169 PolarHBondContact OD2-NH2 2.85Å; S167-R169 VanDerWaalsContact C-N 3.34Å; R169-L196 HydrophobicContact CB-CD2 4.41Å; R169-D198 WeakPolarHBondContact CG-OD2 3.49Å; R169-D198 IonicContact CZ-OD2 3.48Å; R169-D198 IonicContact NE-OD1 3.71Å; R169-D198 PolarHBondContact NE-OD1 3.41Å; R169-D198 IonicContact NE-OD2 3.77Å; R169-D198 PolarHBondContact NE-OD2 3.07Å; R169-D198 IonicContact NH2-OD2 2.68Å
170	R	80.4	Confident	78.6	Confident	151 Å²	151	52.7 Å²	52.7	57%	0.57	31%	0.309	S	S	*	.	B	Isolated β-bridge	trans	-130.7	151.4	172	-57.7	-167.8	-151.6	-119.5	3.8	111.2	S168 I172 L196 T197	S168-R170 PolarHBondContact O-N 3.04Å; R170-I172 PolarHBondContact O-N 2.83Å; R170-L196 VanDerWaalsContact O-CA 3.26Å; R170-L196 WeakPolarHBondContact O-CA 3.36Å; R170-T197 PolarHBondContact O-N 2.88Å
171	V	82.9	Confident	78.9	Confident	3 Å²	3	54.4 Å²	54.4	2%	0.018	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	119.5	173	-179.2	0	0	0	0	109	G147 I148 L153 F173 D174 F194 L196	G147-V171 PolarHBondContact N-O 3.17Å; I148-V171 PolarHBondContact O-N 3.35Å; L153-V171 HydrophobicContact CD1-CG2 4.41Å; L153-V171 HydrophobicContact CD2-CG2 4.23Å; V171-F173 WeakPolarHBondContact CG1-O 3.36Å; V171-D174 HydrophobicContact CG1-CB 4.45Å; V171-F194 HydrophobicContact CG1-CB 4.48Å; V171-F194 HydrophobicContact CG1-CD1 4.3Å; V171-L196 HydrophobicContact CG2-CD1 4.03Å; V171-L196 HydrophobicContact CG2-CG 4.14Å
172	I	83	Confident	79.1	Confident	66 Å²	66	54.3 Å²	54.3	34%	0.338	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-41.4	174.2	-64.1	172.6	0	0	0	109.7	R170 V195 T197 L268 T272	R170-I172 PolarHBondContact O-N 2.83Å; I172-V195 PolarHBondContact N-O 3.4Å; I172-T197 HydrophobicContact CD1-CG2 4.26Å; I172-T197 HydrophobicContact CG1-CG2 4.33Å; I172-L268 HydrophobicContact CG2-CD1 4.37Å; I172-T272 HydrophobicContact CD1-CG2 3.62Å
173	F	86.8	Confident	79.3	Confident	15 Å²	15	51.7 Å²	51.7	7%	0.066	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	154.3	-175.5	-167.6	-107.9	0	0	0	111.7	V171 V195 W265 L268	V171-F173 WeakPolarHBondContact CG1-O 3.36Å; F173-V195 HydrophobicContact CB-CB 4.42Å; F173-V195 PolarHBondContact N-O 3.35Å; F173-V195 PolarHBondContact O-N 2.86Å; F173-W265 AromaticContact CD1-CH2 3.9Å; F173-W265 HydrophobicContact CD1-CH2 3.9Å; F173-W265 HydrophobicContact CD1-CZ2 4.1Å; F173-W265 HydrophobicContact CD1-CZ3 4.17Å; F173-W265 HydrophobicContact CE1-CD2 4.43Å; F173-W265 AromaticContact CE1-CE2 3.97Å; F173-W265 HydrophobicContact CE1-CH2 4.1Å; F173-W265 AromaticContact CE1-CZ2 3.8Å; F173-W265 HydrophobicContact CE1-CZ2 3.8Å; F173-L268 HydrophobicContact CB-CD1 4.39Å; F173-L268 HydrophobicContact CB-CD2 3.37Å; F173-L268 HydrophobicContact CB-CG 4.41Å; F173-L268 HydrophobicContact CD1-CD2 3.17Å; F173-L268 HydrophobicContact CD2-CD2 4.13Å; F173-L268 HydrophobicContact CE1-CD2 3.96Å; F173-L268 HydrophobicContact CG-CD2 3.27Å
174	D	86.9	Confident	79.6	Confident	5 Å²	5	55.2 Å²	55.2	3%	0.027	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	153.9	174.9	70.9	-62.3	0	0	0	111.8	S143 E144 H145 V171 R192 V193 F194	S143-D174 WeakPolarHBondContact CB-OD1 3.2Å; S143-D174 PolarHBondContact OG-N 3.36Å; S143-D174 PolarHBondContact OG-OD1 3.08Å; E144-D174 PolarHBondContact N-OD1 3.35Å; H145-D174 HydrophobicContact CB-CB 4.49Å; H145-D174 IonicContact CE1-OD2 2.71Å; H145-D174 IonicContact CG-OD2 3.45Å; H145-D174 PolarHBondContact N-OD1 3.23Å; H145-D174 IonicContact ND1-OD2 3.22Å; H145-D174 PolarHBondContact ND1-OD2 3.14Å; V171-D174 HydrophobicContact CG1-CB 4.45Å; D174-R192 IonicContact OD2-CZ 2.73Å; D174-R192 IonicContact OD2-NE 3.53Å; D174-R192 PolarHBondContact OD2-NE 2.87Å; D174-R192 IonicContact OD2-NH2 3.26Å; D174-R192 PolarHBondContact OD2-NH2 3.44Å; D174-V193 VanDerWaalsContact CA-O 3.26Å; D174-V193 WeakPolarHBondContact CA-O 3.45Å; D174-F194 HydrophobicContact CB-CD1 3.52Å; D174-F194 HydrophobicContact CB-CE1 3.86Å; D174-F194 HydrophobicContact CB-CG 4.36Å
175	G	87	Confident	80.2	Confident	12 Å²	12	55.2 Å²	55.2	12%	0.124	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.7	166.9	172.8	0	0	0	0	0	113.7	V193	G175-V193 PolarHBondContact N-O 3.31Å; G175-V193 VanDerWaalsContact N-O 3.13Å; G175-V193 PolarHBondContact O-N 2.99Å
176	D	88.1	Confident	81.4	Confident	79 Å²	79	55.1 Å²	55.1	42%	0.422	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	136.5	178.4	-71.2	-46.7	0	0	0	112.1	M190 R192	D176-M190 HydrophobicContact CB-SD 4.27Å; D176-R192 VanDerWaalsContact CG-NH1 3.29Å; D176-R192 WeakPolarHBondContact OD1-CD 3.45Å; D176-R192 IonicContact OD1-NE 2.75Å; D176-R192 IonicContact OD1-NH1 2.78Å; D176-R192 IonicContact OD2-CZ 3.61Å; D176-R192 IonicContact OD2-NH1 3.81Å; D176-R192 PolarHBondContact OD2-NH1 3.49Å
177	L	91.8	Very high	82.6	Confident	3 Å²	3	57 Å²	57	2%	0.016	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	139.9	177.8	-67.5	178	0	0	0	110.4	A191 V193 F243 F254 T256 W265	L177-A191 PolarHBondContact N-O 3.48Å; L177-A191 PolarHBondContact O-N 3.4Å; L177-V193 HydrophobicContact CD1-CB 4.23Å; L177-V193 HydrophobicContact CD1-CG2 3.8Å; L177-V193 HydrophobicContact CG-CG2 4.44Å; L177-F243 HydrophobicContact CD1-CE1 4.13Å; L177-F243 HydrophobicContact CD1-CZ 3.67Å; L177-F243 HydrophobicContact CD2-CE1 4.17Å; L177-F254 HydrophobicContact CB-CB 4.33Å; L177-F254 HydrophobicContact CB-CD1 3.91Å; L177-F254 HydrophobicContact CB-CG 4.41Å; L177-F254 HydrophobicContact CD1-CB 4.15Å; L177-F254 HydrophobicContact CD1-CD1 4.34Å; L177-F254 HydrophobicContact CD1-CG 4.19Å; L177-T256 HydrophobicContact CD2-CG2 3.49Å; L177-T256 VanDerWaalsContact CD2-CG2 3.49Å; L177-W265 HydrophobicContact CD1-CD2 4.34Å; L177-W265 HydrophobicContact CD1-CH2 4.48Å; L177-W265 HydrophobicContact CD1-CZ2 4.15Å; L177-W265 HydrophobicContact CG-CZ2 4.23Å
178	R	88.8	Confident	83.7	Confident	77 Å²	77	54.8 Å²	54.8	29%	0.291	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	118	171.9	-70.9	-169.5	-106.4	-93.6	-9.7	109.3	F187 M190 F254 Q255 E257	R178-F187 HydrophobicContact CB-CD2 4.05Å; R178-F187 HydrophobicContact CB-CE2 3.9Å; R178-F187 HydrophobicContact CG-CD2 4.21Å; R178-F187 HydrophobicContact CG-CE2 3.78Å; R178-M190 HydrophobicContact CG-CE 3.61Å; R178-M190 HydrophobicContact CG-SD 3.81Å; R178-F254 CarbonylContact O-C 3.6Å; R178-F254 WeakPolarHBondContact O-CA 3.41Å; R178-Q255 HydrophobicContact CB-CB 4.28Å; R178-Q255 PolarHBondContact N-O 2.7Å; R178-Q255 VanDerWaalsContact N-O 3.07Å; R178-Q255 PolarHBondContact O-N 3Å; R178-E257 IonicContact CZ-OE1 3.56Å; R178-E257 IonicContact NH1-OE1 2.78Å; R178-E257 IonicContact NH2-OE1 3.3Å; R178-E257 PolarHBondContact NH2-OE1 3.02Å
179	E	91.4	Very high	84.5	Confident	17 Å²	17	52 Å²	52	8%	0.079	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	133	172.5	-174	168.2	-163.2	0	0	110.5	V188 C189 Y204 R252 L253 F254	E179-V188 HydrophobicContact CB-CB 4.39Å; E179-V188 HydrophobicContact CG-CB 4.28Å; E179-V188 PolarHBondContact O-N 3.24Å; E179-C189 PolarHBondContact N-O 3.09Å; E179-Y204 WeakPolarHBondContact OE2-CE1 3.25Å; E179-Y204 PolarHBondContact OE2-OH 2.93Å; E179-R252 IonicContact OE1-CZ 3.81Å; E179-R252 VanDerWaalsContact OE1-CZ 3.27Å; E179-R252 IonicContact OE1-NE 3.68Å; E179-R252 PolarHBondContact OE1-NE 3.44Å; E179-R252 IonicContact OE1-NH2 3.45Å; E179-R252 PolarHBondContact OE1-NH2 2.71Å; E179-R252 IonicContact OE2-CZ 2.61Å; E179-R252 IonicContact OE2-NE 3.47Å; E179-R252 IonicContact OE2-NH2 2.79Å; E179-R252 PolarHBondContact OE2-NH2 3.42Å; E179-L253 WeakPolarHBondContact CA-O 3.24Å; E179-F254 HydrophobicContact CB-CD1 4.07Å; E179-F254 HydrophobicContact CB-CE1 3.84Å; E179-F254 HydrophobicContact CG-CD1 4.44Å; E179-F254 HydrophobicContact CG-CE1 4.03Å
180	L	89.3	Confident	84.9	Confident	10 Å²	10	53.5 Å²	53.5	5%	0.052	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	149.3	-179.8	-57.2	-177.5	0	0	0	111	T186 F187 P239 L253 Q255	L180-T186 CarbonylContact C-O 3.59Å; L180-T186 WeakPolarHBondContact CA-O 3.36Å; L180-F187 HydrophobicContact CD2-CB 4.34Å; L180-P239 HydrophobicContact CD1-CB 3.3Å; L180-P239 HydrophobicContact CD1-CG 3.57Å; L180-L253 HydrophobicContact CB-CB 4.42Å; L180-L253 HydrophobicContact CB-CD2 4.09Å; L180-L253 HydrophobicContact CB-CG 4.3Å; L180-L253 HydrophobicContact CD1-CD2 4.43Å; L180-L253 PolarHBondContact N-O 3.2Å; L180-Q255 HydrophobicContact CD1-CB 3.84Å; L180-Q255 HydrophobicContact CG-CB 4.19Å
181	S	82.8	Confident	85.3	Confident	36 Å²	36	46.3 Å²	46.3	25%	0.252	26%	0.258	S	S	.	.			trans	-69.2	137.9	173.1	167.2	0	0	0	0	110.8	G183 D184 F185 T186	S181-G183 VanDerWaalsContact C-N 3.3Å; S181-G183 PolarHBondContact O-N 3.21Å; S181-G183 PolarHBondContact OG-N 3.25Å; S181-D184 WeakPolarHBondContact CB-OD1 3.41Å; S181-D184 PolarHBondContact OG-OD1 2.91Å; S181-F185 WeakPolarHBondContact O-CA 3.43Å; S181-F185 PolarHBondContact O-N 2.94Å; S181-T186 PolarHBondContact N-O 3.21Å
182	M	76.8	Confident	85.6	Confident	81 Å²	81	46.9 Å²	46.9	40%	0.399	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-19.6	-179.7	-78	-73.4	-66.1	0	0	113.7	K244 N251 L253	M182-K244 HydrophobicContact CE-CD 4.19Å; M182-N251 HydrophobicContact CE-CB 4.35Å; M182-L253 HydrophobicContact SD-CB 3.89Å
183	G	75.9	Confident	86	Confident	71 Å²	71	43.9 Å²	43.9	73%	0.732	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-45.4	-175.6	0	0	0	0	0	113.8	S181	S181-G183 VanDerWaalsContact C-N 3.3Å; S181-G183 PolarHBondContact O-N 3.21Å; S181-G183 PolarHBondContact OG-N 3.25Å
184	D	78.1	Confident	86.1	Confident	80 Å²	80	43.2 Å²	43.2	43%	0.428	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.5	2.4	-169.2	62.2	-23.7	0	0	0	113.2	S181 T186	S181-D184 WeakPolarHBondContact CB-OD1 3.41Å; S181-D184 PolarHBondContact OG-OD1 2.91Å; D184-T186 HydrophobicContact CB-CG2 4.34Å; D184-T186 PolarHBondContact O-N 3.36Å; D184-T186 VanDerWaalsContact O-N 3.09Å; D184-T186 PolarHBondContact OD1-OG1 3.05Å; D184-T186 WeakPolarHBondContact OD2-CG2 3.41Å; D184-T186 PolarHBondContact OD2-OG1 3.34Å
185	F	80.4	Confident	86.2	Confident	56 Å²	56	43 Å²	43	25%	0.246	24%	0.241	C	C	.	.			trans	57.9	19.9	179.9	-51.5	-63.8	0	0	0	114.8	S181 F230 Q237 P239 L253	S181-F185 WeakPolarHBondContact O-CA 3.43Å; S181-F185 PolarHBondContact O-N 2.94Å; F185-F230 HydrophobicContact CE1-CE1 4.04Å; F185-F230 AromaticContact CE1-CZ 3.77Å; F185-F230 HydrophobicContact CE1-CZ 3.77Å; F185-F230 HydrophobicContact CZ-CE1 4.26Å; F185-F230 AromaticContact CZ-CZ 3.9Å; F185-F230 HydrophobicContact CZ-CZ 3.9Å; F185-Q237 WeakPolarHBondContact CD2-O 3.42Å; F185-P239 HydrophobicContact CB-CG 4.26Å; F185-P239 VanDerWaalsContact CD1-CD 3.47Å; F185-P239 HydrophobicContact CD1-CG 3.76Å; F185-P239 HydrophobicContact CE1-CG 4.35Å; F185-P239 HydrophobicContact CG-CG 4.12Å; F185-L253 HydrophobicContact CD1-CD2 3.5Å; F185-L253 HydrophobicContact CE1-CD2 3.71Å
186	T	86.8	Confident	86.2	Confident	70 Å²	70	42.4 Å²	42.4	43%	0.429	24%	0.235	S	C	.	.			trans	-72.8	150.5	175	53.8	0	0	0	0	110.9	L180 S181 D184 V188	L180-T186 CarbonylContact C-O 3.59Å; L180-T186 WeakPolarHBondContact CA-O 3.36Å; S181-T186 PolarHBondContact N-O 3.21Å; D184-T186 HydrophobicContact CB-CG2 4.34Å; D184-T186 PolarHBondContact O-N 3.36Å; D184-T186 VanDerWaalsContact O-N 3.09Å; D184-T186 PolarHBondContact OD1-OG1 3.05Å; D184-T186 WeakPolarHBondContact OD2-CG2 3.41Å; D184-T186 PolarHBondContact OD2-OG1 3.34Å; T186-V188 PolarHBondContact O-N 3.49Å
187	F	86.3	Confident	86	Confident	115 Å²	115	41 Å²	41	50%	0.504	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	127.3	179.1	174.3	-102.7	0	0	0	111	R178 L180 C189 M190	R178-F187 HydrophobicContact CB-CD2 4.05Å; R178-F187 HydrophobicContact CB-CE2 3.9Å; R178-F187 HydrophobicContact CG-CD2 4.21Å; R178-F187 HydrophobicContact CG-CE2 3.78Å; L180-F187 HydrophobicContact CD2-CB 4.34Å; F187-C189 WeakPolarHBondContact CE2-O 3.44Å; F187-C189 VanDerWaalsContact CZ-CA 3.5Å; F187-M190 HydrophobicContact CZ-CB 4.4Å
188	V	85.1	Confident	85.6	Confident	81 Å²	81	41.7 Å²	41.7	49%	0.491	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-58.9	178.2	-179.8	0	0	0	0	109.8	E179 T186	E179-V188 HydrophobicContact CB-CB 4.39Å; E179-V188 HydrophobicContact CG-CB 4.28Å; E179-V188 PolarHBondContact O-N 3.24Å; T186-V188 PolarHBondContact O-N 3.49Å
189	C	86	Confident	85.5	Confident	25 Å²	25	38.1 Å²	38.1	17%	0.169	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	169.1	-178.8	63.9	0	0	0	0	112.6	E179 F187 Y204	E179-C189 PolarHBondContact N-O 3.09Å; F187-C189 WeakPolarHBondContact CE2-O 3.44Å; F187-C189 VanDerWaalsContact CZ-CA 3.5Å; C189-Y204 WeakPolarHBondContact SG-CE1 3.47Å
190	M	87.4	Confident	85.4	Confident	70 Å²	70	37.5 Å²	37.5	35%	0.345	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	118.1	168.7	-165.9	65.1	71	0	0	109.1	D176 R178 F187	D176-M190 HydrophobicContact CB-SD 4.27Å; R178-M190 HydrophobicContact CG-CE 3.61Å; R178-M190 HydrophobicContact CG-SD 3.81Å; F187-M190 HydrophobicContact CZ-CB 4.4Å
191	A	89.1	Confident	85.3	Confident	0 Å²	0	37 Å²	37	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	127.1	-178.7	0	0	0	0	0	110.2	L177 I202 A203 Y204 F254	L177-A191 PolarHBondContact N-O 3.48Å; L177-A191 PolarHBondContact O-N 3.4Å; A191-I202 HydrophobicContact CB-CG2 4.04Å; A191-A203 CarbonylContact C-O 3.57Å; A191-A203 WeakPolarHBondContact CA-O 3.4Å; A191-Y204 HydrophobicContact CB-CD1 3.86Å; A191-Y204 HydrophobicContact CB-CE1 3.82Å; A191-F254 HydrophobicContact CB-CE1 4.08Å
192	R	88.9	Confident	85.7	Confident	15 Å²	15	35.3 Å²	35.3	6%	0.057	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	120.1	167.4	-166.3	77.7	179.7	-157.7	-6.4	107.8	E144 D174 D176 F194 A203 Y214	E144-R192 IonicContact OE2-CZ 2.89Å; E144-R192 IonicContact OE2-NH1 3.17Å; E144-R192 IonicContact OE2-NH2 2.79Å; E144-R192 PolarHBondContact OE2-NH2 3.43Å; D174-R192 IonicContact OD2-CZ 2.73Å; D174-R192 IonicContact OD2-NE 3.53Å; D174-R192 PolarHBondContact OD2-NE 2.87Å; D174-R192 IonicContact OD2-NH2 3.26Å; D174-R192 PolarHBondContact OD2-NH2 3.44Å; D176-R192 VanDerWaalsContact CG-NH1 3.29Å; D176-R192 WeakPolarHBondContact OD1-CD 3.45Å; D176-R192 IonicContact OD1-NE 2.75Å; D176-R192 IonicContact OD1-NH1 2.78Å; D176-R192 IonicContact OD2-CZ 3.61Å; D176-R192 IonicContact OD2-NH1 3.81Å; D176-R192 PolarHBondContact OD2-NH1 3.49Å; R192-F194 HydrophobicContact CB-CE2 4.1Å; R192-F194 HydrophobicContact CB-CZ 4.41Å; R192-F194 HydrophobicContact CG-CD2 4.48Å; R192-F194 HydrophobicContact CG-CE1 4.28Å; R192-F194 HydrophobicContact CG-CE2 3.66Å; R192-F194 HydrophobicContact CG-CZ 3.54Å; R192-A203 PolarHBondContact N-O 2.96Å; R192-A203 PolarHBondContact O-N 3.47Å; R192-Y214 HydrophobicContact CB-CD1 3.84Å; R192-Y214 HydrophobicContact CB-CE1 3.66Å; R192-Y214 HydrophobicContact CG-CD1 4.42Å; R192-Y214 HydrophobicContact CG-CE1 3.96Å
193	V	91.3	Very high	86.3	Confident	4 Å²	4	31.5 Å²	31.5	2%	0.024	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	128.8	-177.5	178.6	0	0	0	0	109.3	D174 G175 L177 L200 V201 I202 W265	D174-V193 VanDerWaalsContact CA-O 3.26Å; D174-V193 WeakPolarHBondContact CA-O 3.45Å; G175-V193 PolarHBondContact N-O 3.31Å; G175-V193 VanDerWaalsContact N-O 3.13Å; G175-V193 PolarHBondContact O-N 2.99Å; L177-V193 HydrophobicContact CD1-CB 4.23Å; L177-V193 HydrophobicContact CD1-CG2 3.8Å; L177-V193 HydrophobicContact CG-CG2 4.44Å; V193-L200 HydrophobicContact CG1-CD1 3.54Å; V193-L200 HydrophobicContact CG1-CG 4.28Å; V193-V201 WeakPolarHBondContact CA-O 3.49Å; V193-I202 HydrophobicContact CG1-CG1 4.43Å; V193-I202 HydrophobicContact CG2-CG1 4.15Å; V193-I202 HydrophobicContact CG2-CG2 4.25Å; V193-W265 HydrophobicContact CB-CH2 3.79Å; V193-W265 HydrophobicContact CB-CZ3 4.33Å; V193-W265 HydrophobicContact CG1-CH2 3.85Å; V193-W265 HydrophobicContact CG1-CZ3 3.9Å
194	F	89.2	Confident	86.9	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	124	176.2	-54.7	-94.3	0	0	0	109.4	L153 V157 V171 D174 R192 L196 V201 A203	L153-F194 HydrophobicContact CD1-CD1 3.81Å; L153-F194 HydrophobicContact CD1-CD2 4.29Å; L153-F194 HydrophobicContact CD1-CE1 3.9Å; L153-F194 HydrophobicContact CD1-CE2 4.37Å; L153-F194 HydrophobicContact CD1-CG 4.02Å; L153-F194 HydrophobicContact CD1-CZ 4.17Å; V157-F194 HydrophobicContact CG2-CE2 3.85Å; V157-F194 HydrophobicContact CG2-CZ 4.17Å; V171-F194 HydrophobicContact CG1-CB 4.48Å; V171-F194 HydrophobicContact CG1-CD1 4.3Å; D174-F194 HydrophobicContact CB-CD1 3.52Å; D174-F194 HydrophobicContact CB-CE1 3.86Å; D174-F194 HydrophobicContact CB-CG 4.36Å; R192-F194 HydrophobicContact CB-CE2 4.1Å; R192-F194 HydrophobicContact CB-CZ 4.41Å; R192-F194 HydrophobicContact CG-CD2 4.48Å; R192-F194 HydrophobicContact CG-CE1 4.28Å; R192-F194 HydrophobicContact CG-CE2 3.66Å; R192-F194 HydrophobicContact CG-CZ 3.54Å; F194-L196 HydrophobicContact CB-CD1 3.9Å; F194-V201 HydrophobicContact CB-CB 4.19Å; F194-V201 HydrophobicContact CD2-CG1 4.45Å; F194-V201 PolarHBondContact N-O 3.31Å; F194-V201 PolarHBondContact O-N 3.09Å; F194-A203 HydrophobicContact CE2-CB 4.33Å
195	V	89.4	Confident	87.1	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	111.4	175.4	-172	0	0	0	0	107.7	I172 F173 L200 W265 L268 L269 T272	I172-V195 PolarHBondContact N-O 3.4Å; F173-V195 HydrophobicContact CB-CB 4.42Å; F173-V195 PolarHBondContact N-O 3.35Å; F173-V195 PolarHBondContact O-N 2.86Å; V195-L200 HydrophobicContact CB-CD1 4.42Å; V195-L200 HydrophobicContact CG2-CD1 3.75Å; V195-W265 HydrophobicContact CG2-CH2 4.36Å; V195-W265 HydrophobicContact CG2-CZ3 3.66Å; V195-L268 HydrophobicContact CG2-CD2 4.45Å; V195-L269 HydrophobicContact CG1-CD2 4.34Å; V195-L269 HydrophobicContact CG2-CD2 3.84Å; V195-T272 HydrophobicContact CG1-CG2 3.72Å
196	L	88.4	Confident	86.8	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	176.7	174.1	-71.9	65	0	0	0	110.1	L153 L163 R169 R170 V171 F194 D198 T199 V201	L153-L196 HydrophobicContact CD2-CD1 4.07Å; L153-L196 HydrophobicContact CD2-CD2 4.18Å; L163-L196 HydrophobicContact CD1-CD2 4.48Å; R169-L196 HydrophobicContact CB-CD2 4.41Å; R170-L196 VanDerWaalsContact O-CA 3.26Å; R170-L196 WeakPolarHBondContact O-CA 3.36Å; V171-L196 HydrophobicContact CG2-CD1 4.03Å; V171-L196 HydrophobicContact CG2-CG 4.14Å; F194-L196 HydrophobicContact CB-CD1 3.9Å; L196-D198 PolarHBondContact O-N 3.06Å; L196-T199 WeakPolarHBondContact CA-O 3.36Å; L196-T199 VanDerWaalsContact CB-O 3.28Å; L196-T199 WeakPolarHBondContact CB-O 3.45Å; L196-T199 PolarHBondContact N-O 2.63Å; L196-V201 HydrophobicContact CD1-CB 4.41Å; L196-V201 HydrophobicContact CD1-CG2 3.83Å
197	T	83.8	Confident	85.7	Confident	50 Å²	50	37.2 Å²	37.2	31%	0.307	19%	0.185	S	C	.	.	S	Bend	trans	-59	-28.8	178.5	45.9	0	0	0	0	114.7	R170 I172 L222 Y276	R170-T197 PolarHBondContact O-N 2.88Å; I172-T197 HydrophobicContact CD1-CG2 4.26Å; I172-T197 HydrophobicContact CG1-CG2 4.33Å; T197-L222 WeakPolarHBondContact O-CD1 3.4Å; T197-Y276 VanDerWaalsContact O-CD2 3.29Å; T197-Y276 WeakPolarHBondContact O-CD2 3.4Å
198	D	82.9	Confident	84.5	Confident	18 Å²	18	36.2 Å²	36.2	10%	0.096	19%	0.193	C	C	.	.	S	Bend	trans	-132.9	-16.1	-174.7	58.9	-2.5	0	0	0	114	R169 L196 L222 Y276	R169-D198 WeakPolarHBondContact CG-OD2 3.49Å; R169-D198 IonicContact CZ-OD2 3.48Å; R169-D198 IonicContact NE-OD1 3.71Å; R169-D198 PolarHBondContact NE-OD1 3.41Å; R169-D198 IonicContact NE-OD2 3.77Å; R169-D198 PolarHBondContact NE-OD2 3.07Å; R169-D198 IonicContact NH2-OD2 2.68Å; L196-D198 PolarHBondContact O-N 3.06Å; D198-L222 VanDerWaalsContact C-CG 3.48Å; D198-L222 VanDerWaalsContact O-CG 3.3Å; D198-L222 WeakPolarHBondContact O-CG 3.31Å; D198-L222 PolarHBondContact O-N 3.49Å; D198-Y276 HydrophobicContact CB-CD2 3.86Å; D198-Y276 HydrophobicContact CB-CE2 3.32Å
199	T	85.8	Confident	83.4	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.012	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	141.1	-168.7	-44.1	0	0	0	0	111.3	L163 L196 V201 Y220	L163-T199 HydrophobicContact CD2-CG2 4.33Å; L196-T199 WeakPolarHBondContact CA-O 3.36Å; L196-T199 VanDerWaalsContact CB-O 3.28Å; L196-T199 WeakPolarHBondContact CB-O 3.45Å; L196-T199 PolarHBondContact N-O 2.63Å; T199-V201 HydrophobicContact CG2-CG2 4.31Å; T199-Y220 CarbonylContact C-O 3.56Å; T199-Y220 WeakPolarHBondContact CA-O 3.31Å; T199-Y220 WeakPolarHBondContact CG2-O 3.44Å
200	L	89.8	Confident	82.3	Confident	3 Å²	3	38.1 Å²	38.1	2%	0.016	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125.4	166.5	-176.8	70.8	0	0	0	109.5	V193 V195 T219 Y220 F225 L245 L269	V193-L200 HydrophobicContact CG1-CD1 3.54Å; V193-L200 HydrophobicContact CG1-CG 4.28Å; V195-L200 HydrophobicContact CB-CD1 4.42Å; V195-L200 HydrophobicContact CG2-CD1 3.75Å; L200-T219 CarbonylContact O-C 3.45Å; L200-T219 WeakPolarHBondContact O-CA 3.39Å; L200-Y220 HydrophobicContact CD2-CD2 4.48Å; L200-Y220 PolarHBondContact N-O 3.49Å; L200-Y220 PolarHBondContact O-N 3.28Å; L200-F225 HydrophobicContact CB-CD1 4.44Å; L200-F225 HydrophobicContact CB-CE1 3.51Å; L200-F225 HydrophobicContact CB-CZ 3.78Å; L200-F225 HydrophobicContact CD2-CD1 4.44Å; L200-F225 HydrophobicContact CD2-CE1 3.88Å; L200-F225 HydrophobicContact CD2-CE2 3.99Å; L200-F225 HydrophobicContact CD2-CZ 3.63Å; L200-F225 HydrophobicContact CG-CE1 4.32Å; L200-F225 HydrophobicContact CG-CZ 4.23Å; L200-L245 HydrophobicContact CD2-CD1 4.1Å; L200-L245 HydrophobicContact CD2-CD2 4.09Å; L200-L269 HydrophobicContact CD1-CD2 3.86Å
201	V	88	Confident	81.7	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.2	-177.5	178	0	0	0	0	109.3	L163 V193 F194 L196 T199 L216 T219	L163-V201 HydrophobicContact CD1-CG2 3.56Å; V193-V201 WeakPolarHBondContact CA-O 3.49Å; F194-V201 HydrophobicContact CB-CB 4.19Å; F194-V201 HydrophobicContact CD2-CG1 4.45Å; F194-V201 PolarHBondContact N-O 3.31Å; F194-V201 PolarHBondContact O-N 3.09Å; L196-V201 HydrophobicContact CD1-CB 4.41Å; L196-V201 HydrophobicContact CD1-CG2 3.83Å; T199-V201 HydrophobicContact CG2-CG2 4.31Å; V201-L216 HydrophobicContact CG1-CD1 3.41Å; V201-L216 VanDerWaalsContact CG1-CD1 3.41Å; V201-T219 HydrophobicContact CG2-CG2 4.26Å
202	I	91	Very high	81	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	119.5	176.4	-53	-171.1	0	0	0	108.5	A191 V193 Y204 Q217 S218 Y220 L245 F254	A191-I202 HydrophobicContact CB-CG2 4.04Å; V193-I202 HydrophobicContact CG1-CG1 4.43Å; V193-I202 HydrophobicContact CG2-CG1 4.15Å; V193-I202 HydrophobicContact CG2-CG2 4.25Å; I202-Y204 HydrophobicContact CG2-CE1 4.3Å; I202-Q217 PolarHBondContact O-N 3.07Å; I202-S218 PolarHBondContact N-O 3.46Å; I202-S218 PolarHBondContact O-N 3.17Å; I202-S218 VanDerWaalsContact O-N 3.16Å; I202-Y220 HydrophobicContact CD1-CD2 4.39Å; I202-Y220 HydrophobicContact CD1-CE2 3.93Å; I202-Y220 HydrophobicContact CG1-CE2 4.41Å; I202-L245 HydrophobicContact CD1-CD2 3.87Å; I202-F254 HydrophobicContact CD1-CE2 4.02Å; I202-F254 HydrophobicContact CD1-CZ 3.72Å; I202-F254 HydrophobicContact CG2-CZ 4.47Å
203	A	89.2	Confident	80.5	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	147.5	-179.7	0	0	0	0	0	110.5	V157 A191 R192 F194 R215	V157-A203 HydrophobicContact CG1-CB 3.8Å; V157-A203 HydrophobicContact CG2-CB 4.46Å; A191-A203 CarbonylContact C-O 3.57Å; A191-A203 WeakPolarHBondContact CA-O 3.4Å; R192-A203 PolarHBondContact N-O 2.96Å; R192-A203 PolarHBondContact O-N 3.47Å; F194-A203 HydrophobicContact CE2-CB 4.33Å; A203-R215 CarbonylContact C-O 3.56Å; A203-R215 VanDerWaalsContact CA-O 3.29Å; A203-R215 WeakPolarHBondContact CA-O 3.48Å; A203-R215 WeakPolarHBondContact CB-O 3.38Å
204	Y	88.8	Confident	80.2	Confident	57 Å²	57	47.1 Å²	47.1	22%	0.224	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	152.8	175.8	-61.4	-25.7	0	0	0	110.4	E179 C189 A191 I202 S206 Y214 R215 Q217 R252	E179-Y204 WeakPolarHBondContact OE2-CE1 3.25Å; E179-Y204 PolarHBondContact OE2-OH 2.93Å; C189-Y204 WeakPolarHBondContact SG-CE1 3.47Å; A191-Y204 HydrophobicContact CB-CD1 3.86Å; A191-Y204 HydrophobicContact CB-CE1 3.82Å; I202-Y204 HydrophobicContact CG2-CE1 4.3Å; Y204-S206 PolarHBondContact O-N 3.31Å; Y204-Y214 CarbonylContact O-C 3.54Å; Y204-Y214 VanDerWaalsContact O-CA 3.32Å; Y204-Y214 WeakPolarHBondContact O-CA 3.4Å; Y204-R215 PolarHBondContact N-O 3.23Å; Y204-R215 PolarHBondContact O-N 3.45Å; Y204-Q217 HydrophobicContact CD2-CB 4.1Å; Y204-Q217 HydrophobicContact CD2-CG 4.1Å; Y204-Q217 HydrophobicContact CE2-CB 4.03Å; Y204-Q217 HydrophobicContact CE2-CG 3.54Å; Y204-Q217 HydrophobicContact CG-CB 4.42Å; Y204-Q217 VanDerWaalsContact OH-CD 3.22Å; Y204-Q217 PolarHBondContact OH-NE2 3.4Å; Y204-Q217 PolarHBondContact OH-OE1 3.17Å; Y204-R252 PolarHBondContact OH-NH2 3.31Å
205	H	81.3	Confident	80	Confident	116 Å²	116	54.1 Å²	54.1	54%	0.537	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	129.9	175.3	-150	73	0	0	0	110.4	Q207 Y214	H205-Q207 PolarHBondContact O-N 3.41Å; H205-Y214 AromaticContact ND1-CD1 3.77Å; H205-Y214 AromaticContact ND1-CE1 3.35Å; H205-Y214 VanDerWaalsContact ND1-CE1 3.35Å; H205-Y214 WeakPolarHBondContact ND1-CE1 3.47Å
206	S	73.8	Confident	79.8	Confident	23 Å²	23	56 Å²	56	16%	0.161	31%	0.305	C	S	.	.			trans	-76.1	122.5	179.5	-174.3	0	0	0	0	110	Y204 S208 Y212 P213	Y204-S206 PolarHBondContact O-N 3.31Å; S206-S208 PolarHBondContact OG-O 2.74Å; S206-Y212 WeakPolarHBondContact CB-O 3.43Å; S206-P213 PolarHBondContact N-O 3.21Å
207	Q	65.4	Low	79.7	Confident	202 Å²	202	60 Å²	60	94%	0.944	32%	0.324	S	S	*	.			trans	-90	-12.2	173.7	-64.5	-167.1	-7	0	0	113.1	H205	H205-Q207 PolarHBondContact O-N 3.41Å
208	S	60.3	Low	79.8	Confident	94 Å²	94	58.7 Å²	58.7	66%	0.657	32%	0.316	S	S	*	.	S	Bend	trans	-86	156.7	178.6	-169	0	0	0	0	109.9	S206 S210	S206-S208 PolarHBondContact OG-O 2.74Å; S208-S210 PolarHBondContact O-N 2.82Å
209	A	61.5	Low	80	Confident	111 Å²	111	61 Å²	61	92%	0.917	33%	0.331	S	S	*	.	S	Bend	trans	-68.9	44.6	172.5	0	0	0	0	0	112.5
210	S	63.8	Low	79.9	Confident	34 Å²	34	62.7 Å²	62.7	24%	0.238	34%	0.338	C	S	.	.			trans	-73.6	145.1	170.8	-173.7	0	0	0	0	108.3	E158 S208 Y212	E158-S210 PolarHBondContact OE2-OG 3.08Å; S208-S210 PolarHBondContact O-N 2.82Å; S210-Y212 PolarHBondContact O-N 3Å; S210-Y212 VanDerWaalsContact O-N 3.14Å
211	P	73.3	Confident	79.6	Confident	118 Å²	118	66.1 Å²	66.1	77%	0.766	36%	0.356	S	S	*	.	S	Bend	trans	-63.5	-14.3	174.1	24.8	-33	0	0	0	113.1
212	Y	75.7	Confident	79.2	Confident	85 Å²	85	66.1 Å²	66.1	33%	0.333	36%	0.356	S	S	.	.	S	Bend	trans	-99.4	130.6	-178.5	-58.3	-80.7	0	0	0	111.6	A154 E155 E158 S206 S210 Y214	A154-Y212 WeakPolarHBondContact O-CE1 3.48Å; E155-Y212 WeakPolarHBondContact O-CD1 3.42Å; E155-Y212 WeakPolarHBondContact O-CE1 3.2Å; E158-Y212 HydrophobicContact CB-CD2 3.8Å; E158-Y212 HydrophobicContact CB-CG 3.88Å; E158-Y212 HydrophobicContact CG-CD2 3.96Å; E158-Y212 HydrophobicContact CG-CE2 4.5Å; S206-Y212 WeakPolarHBondContact CB-O 3.43Å; S210-Y212 PolarHBondContact O-N 3Å; S210-Y212 VanDerWaalsContact O-N 3.14Å; Y212-Y214 VanDerWaalsContact C-N 3.26Å; Y212-Y214 PolarHBondContact O-N 3.45Å
213	P	78.4	Confident	78.6	Confident	50 Å²	50	69.6 Å²	69.6	33%	0.325	37%	0.374	S	S	.	.	S	Bend	trans	-67.2	-26.1	177.4	24.4	-32.9	0	0	0	113.2	L156 S206	L156-P213 HydrophobicContact CD2-CG 4.49Å; L156-P213 VanDerWaalsContact O-CD 3.23Å; L156-P213 WeakPolarHBondContact O-CD 3.31Å; L156-P213 WeakPolarHBondContact O-CG 3.47Å; S206-P213 PolarHBondContact N-O 3.21Å
214	Y	84.6	Confident	77.9	Confident	26 Å²	26	74.6 Å²	74.6	10%	0.102	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	152.2	-177.5	-54.2	-77.6	0	0	0	111.7	L156 V157 E158 R192 Y204 H205 Y212	L156-Y214 PolarHBondContact O-N 3.35Å; V157-Y214 CarbonylContact C-O 3.24Å; V157-Y214 WeakPolarHBondContact CA-O 3.38Å; E158-Y214 PolarHBondContact N-O 2.86Å; R192-Y214 HydrophobicContact CB-CD1 3.84Å; R192-Y214 HydrophobicContact CB-CE1 3.66Å; R192-Y214 HydrophobicContact CG-CD1 4.42Å; R192-Y214 HydrophobicContact CG-CE1 3.96Å; Y204-Y214 CarbonylContact O-C 3.54Å; Y204-Y214 VanDerWaalsContact O-CA 3.32Å; Y204-Y214 WeakPolarHBondContact O-CA 3.4Å; H205-Y214 AromaticContact ND1-CD1 3.77Å; H205-Y214 AromaticContact ND1-CE1 3.35Å; H205-Y214 VanDerWaalsContact ND1-CE1 3.35Å; H205-Y214 WeakPolarHBondContact ND1-CE1 3.47Å; Y212-Y214 VanDerWaalsContact C-N 3.26Å; Y212-Y214 PolarHBondContact O-N 3.45Å
215	R	84.8	Confident	77.7	Confident	146 Å²	146	72.4 Å²	72.4	55%	0.551	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.9	127.7	174	-176.9	176.7	175.5	122.5	-8.4	110.4	E158 A203 Y204 Q217	E158-R215 HydrophobicContact CB-CB 4.48Å; E158-R215 HydrophobicContact CB-CG 4.48Å; E158-R215 IonicContact OE1-CZ 2.74Å; E158-R215 IonicContact OE1-NH1 2.71Å; E158-R215 PolarHBondContact OE1-NH1 2.97Å; A203-R215 CarbonylContact C-O 3.56Å; A203-R215 VanDerWaalsContact CA-O 3.29Å; A203-R215 WeakPolarHBondContact CA-O 3.48Å; A203-R215 WeakPolarHBondContact CB-O 3.38Å; Y204-R215 PolarHBondContact N-O 3.23Å; Y204-R215 PolarHBondContact O-N 3.45Å; R215-Q217 PolarHBondContact O-N 3.11Å
216	L	86.2	Confident	77.7	Confident	41 Å²	41	68.6 Å²	68.6	22%	0.215	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	128.5	178.9	-178.6	62.7	0	0	0	110.6	V157 E158 G159 V201 T219	V157-L216 HydrophobicContact CG1-CB 3.86Å; E158-L216 VanDerWaalsContact O-CB 3.25Å; E158-L216 WeakPolarHBondContact O-CB 3.36Å; E158-L216 PolarHBondContact O-N 2.89Å; G159-L216 WeakPolarHBondContact O-CD2 3.24Å; V201-L216 HydrophobicContact CG1-CD1 3.41Å; V201-L216 VanDerWaalsContact CG1-CD1 3.41Å; L216-T219 HydrophobicContact CD1-CG2 3.81Å; L216-T219 HydrophobicContact CD2-CG2 4.05Å; L216-T219 HydrophobicContact CG-CG2 4.4Å
217	Q	86	Confident	78.2	Confident	84 Å²	84	68.5 Å²	68.5	39%	0.393	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-47.9	177.2	-179.8	-122.9	-0.2	0	0	111.8	I202 Y204 R215	I202-Q217 PolarHBondContact O-N 3.07Å; Y204-Q217 HydrophobicContact CD2-CB 4.1Å; Y204-Q217 HydrophobicContact CD2-CG 4.1Å; Y204-Q217 HydrophobicContact CE2-CB 4.03Å; Y204-Q217 HydrophobicContact CE2-CG 3.54Å; Y204-Q217 HydrophobicContact CG-CB 4.42Å; Y204-Q217 VanDerWaalsContact OH-CD 3.22Å; Y204-Q217 PolarHBondContact OH-NE2 3.4Å; Y204-Q217 PolarHBondContact OH-OE1 3.17Å; R215-Q217 PolarHBondContact O-N 3.11Å
218	S	85.8	Confident	79	Confident	21 Å²	21	60.4 Å²	60.4	15%	0.147	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	147.2	179.4	60	0	0	0	0	112.5	I202 Y220 R252	I202-S218 PolarHBondContact N-O 3.46Å; I202-S218 PolarHBondContact O-N 3.17Å; I202-S218 VanDerWaalsContact O-N 3.16Å; S218-Y220 WeakPolarHBondContact CB-OH 3.38Å; S218-Y220 VanDerWaalsContact OG-CE2 3.22Å; S218-Y220 WeakPolarHBondContact OG-CE2 3.43Å; S218-Y220 PolarHBondContact OG-OH 3.05Å; S218-R252 PolarHBondContact OG-NH1 2.86Å
219	T	86.3	Confident	80.2	Confident	68 Å²	68	60.5 Å²	60.5	42%	0.417	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	131.6	174.6	54.1	0	0	0	0	109.3	L163 L200 V201 L216	L163-T219 HydrophobicContact CD2-CG2 4.26Å; L200-T219 CarbonylContact O-C 3.45Å; L200-T219 WeakPolarHBondContact O-CA 3.39Å; V201-T219 HydrophobicContact CG2-CG2 4.26Å; L216-T219 HydrophobicContact CD1-CG2 3.81Å; L216-T219 HydrophobicContact CD2-CG2 4.05Å; L216-T219 HydrophobicContact CG-CG2 4.4Å
220	Y	84.8	Confident	81.1	Confident	36 Å²	36	57.6 Å²	57.6	14%	0.141	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	126.2	176.9	-54.2	-77.8	0	0	0	109.8	T199 L200 I202 S218 L245 V247	T199-Y220 CarbonylContact C-O 3.56Å; T199-Y220 WeakPolarHBondContact CA-O 3.31Å; T199-Y220 WeakPolarHBondContact CG2-O 3.44Å; L200-Y220 HydrophobicContact CD2-CD2 4.48Å; L200-Y220 PolarHBondContact N-O 3.49Å; L200-Y220 PolarHBondContact O-N 3.28Å; I202-Y220 HydrophobicContact CD1-CD2 4.39Å; I202-Y220 HydrophobicContact CD1-CE2 3.93Å; I202-Y220 HydrophobicContact CG1-CE2 4.41Å; S218-Y220 WeakPolarHBondContact CB-OH 3.38Å; S218-Y220 VanDerWaalsContact OG-CE2 3.22Å; S218-Y220 WeakPolarHBondContact OG-CE2 3.43Å; S218-Y220 PolarHBondContact OG-OH 3.05Å; Y220-L245 HydrophobicContact CD2-CD2 4.22Å; Y220-L245 HydrophobicContact CE2-CD2 4.06Å; Y220-V247 HydrophobicContact CD1-CB 4.13Å; Y220-V247 HydrophobicContact CD1-CG1 3.52Å; Y220-V247 HydrophobicContact CD2-CG1 4.34Å; Y220-V247 HydrophobicContact CE1-CB 3.7Å; Y220-V247 HydrophobicContact CE1-CG1 3.55Å; Y220-V247 HydrophobicContact CE1-CG2 4.03Å; Y220-V247 HydrophobicContact CE2-CG1 4.38Å; Y220-V247 HydrophobicContact CG-CG1 3.94Å
221	D	83.2	Confident	81.6	Confident	76 Å²	76	59.4 Å²	59.4	41%	0.406	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	142.8	167.2	-60.3	-36.7	0	0	0	109.3	N223 N224 F225	D221-N223 PolarHBondContact O-N 2.93Å; D221-N224 HydrophobicContact CB-CB 4.41Å; D221-N224 PolarHBondContact O-N 2.95Å; D221-N224 PolarHBondContact OD2-ND2 3.43Å; D221-F225 VanDerWaalsContact O-CD1 3.31Å; D221-F225 WeakPolarHBondContact O-CD1 3.3Å
222	L	79.5	Confident	81.1	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-13.8	-179	-70.4	173.6	0	0	0	114.1	T197 D198 F225 T272 M273 Y276	T197-L222 WeakPolarHBondContact O-CD1 3.4Å; D198-L222 VanDerWaalsContact C-CG 3.48Å; D198-L222 VanDerWaalsContact O-CG 3.3Å; D198-L222 WeakPolarHBondContact O-CG 3.31Å; D198-L222 PolarHBondContact O-N 3.49Å; L222-F225 HydrophobicContact CD2-CE1 3.79Å; L222-F225 HydrophobicContact CD2-CZ 3.64Å; L222-T272 HydrophobicContact CD1-CG2 3.72Å; L222-T272 HydrophobicContact CD2-CG2 4.3Å; L222-M273 HydrophobicContact CB-CG 4.31Å; L222-M273 HydrophobicContact CD2-CG 4.11Å; L222-Y276 HydrophobicContact CB-CD1 3.79Å; L222-Y276 HydrophobicContact CB-CE1 4.3Å; L222-Y276 HydrophobicContact CB-CG 4.25Å; L222-Y276 HydrophobicContact CD1-CD1 4.27Å; L222-Y276 HydrophobicContact CD1-CD2 4.4Å; L222-Y276 HydrophobicContact CD1-CG 3.88Å
223	N	77	Confident	80.3	Confident	73 Å²	73	59 Å²	59	39%	0.39	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-15.1	174.5	-70.5	-23.4	0	0	0	114	D221 Y276	D221-N223 PolarHBondContact O-N 2.93Å; N223-Y276 WeakPolarHBondContact ND2-CE1 3.4Å
224	N	76.5	Confident	79.2	Confident	106 Å²	106	65 Å²	65	57%	0.567	35%	0.347	S	S	*	.	S	Bend	trans	-106.1	11.6	-168.1	-67.3	-12.8	0	0	0	113.6	D221	D221-N224 HydrophobicContact CB-CB 4.41Å; D221-N224 PolarHBondContact O-N 2.95Å; D221-N224 PolarHBondContact OD2-ND2 3.43Å
225	F	83.1	Confident	77.7	Confident	10 Å²	10	73.5 Å²	73.5	4%	0.044	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	161	173.8	71	-96.1	0	0	0	112.2	L200 D221 L222 V227 L245 I246 V247 L269 M273	L200-F225 HydrophobicContact CB-CD1 4.44Å; L200-F225 HydrophobicContact CB-CE1 3.51Å; L200-F225 HydrophobicContact CB-CZ 3.78Å; L200-F225 HydrophobicContact CD2-CD1 4.44Å; L200-F225 HydrophobicContact CD2-CE1 3.88Å; L200-F225 HydrophobicContact CD2-CE2 3.99Å; L200-F225 HydrophobicContact CD2-CZ 3.63Å; L200-F225 HydrophobicContact CG-CE1 4.32Å; L200-F225 HydrophobicContact CG-CZ 4.23Å; D221-F225 VanDerWaalsContact O-CD1 3.31Å; D221-F225 WeakPolarHBondContact O-CD1 3.3Å; L222-F225 HydrophobicContact CD2-CE1 3.79Å; L222-F225 HydrophobicContact CD2-CZ 3.64Å; F225-V227 HydrophobicContact CD2-CG2 3.9Å; F225-V227 HydrophobicContact CE2-CG2 3.67Å; F225-L245 HydrophobicContact CB-CD1 4.17Å; F225-L245 HydrophobicContact CD2-CD1 3.32Å; F225-L245 HydrophobicContact CE2-CD1 3.84Å; F225-L245 HydrophobicContact CG-CD1 3.94Å; F225-I246 WeakPolarHBondContact CA-O 3.29Å; F225-V247 HydrophobicContact CB-CG1 3.28Å; F225-V247 HydrophobicContact CG-CG1 4.4Å; F225-L269 HydrophobicContact CE2-CD2 4.47Å; F225-L269 HydrophobicContact CZ-CD2 4.4Å; F225-M273 HydrophobicContact CD2-SD 4.24Å; F225-M273 HydrophobicContact CE2-SD 3.81Å; F225-M273 HydrophobicContact CZ-CG 4.42Å; F225-M273 HydrophobicContact CZ-SD 4.24Å
226	A	81.6	Confident	76.3	Confident	36 Å²	36	75 Å²	75	30%	0.298	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	155.6	167.9	0	0	0	0	0	110.4	I246	A226-I246 HydrophobicContact CB-CB 4.24Å; A226-I246 PolarHBondContact N-O 2.97Å; A226-I246 PolarHBondContact O-N 3.4Å
227	V	83.9	Confident	75.1	Confident	22 Å²	22	80 Å²	80	13%	0.133	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.3	179.6	-168.7	0	0	0	0	107.9	F225 F243 L245 L266 L269 M273	F225-V227 HydrophobicContact CD2-CG2 3.9Å; F225-V227 HydrophobicContact CE2-CG2 3.67Å; V227-F243 HydrophobicContact CG1-CD2 3.65Å; V227-F243 HydrophobicContact CG1-CE2 4.11Å; V227-L245 HydrophobicContact CG2-CD1 4.04Å; V227-L266 HydrophobicContact CG1-CD2 3.52Å; V227-L269 HydrophobicContact CG1-CD1 4.13Å; V227-L269 HydrophobicContact CG2-CB 4.02Å; V227-L269 HydrophobicContact CG2-CD1 3.8Å; V227-L269 HydrophobicContact CG2-CG 4.45Å; V227-M273 HydrophobicContact CG2-CE 4.1Å
228	A	83.4	Confident	74	Confident	32 Å²	32	77.8 Å²	77.8	26%	0.264	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	134.3	-179.7	0	0	0	0	0	110.6	F230 F243 K244 I246	A228-F230 PolarHBondContact O-N 2.97Å; A228-F243 CarbonylContact O-C 3.55Å; A228-F243 WeakPolarHBondContact O-CA 3.5Å; A228-K244 HydrophobicContact CB-CB 4.48Å; A228-K244 PolarHBondContact N-O 3.16Å; A228-K244 PolarHBondContact O-N 3.44Å; A228-I246 HydrophobicContact CB-CD1 3.88Å; A228-I246 HydrophobicContact CB-CG1 4.43Å
229	N	84.7	Confident	73.3	Confident	95 Å²	95	77.4 Å²	77.4	51%	0.508	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	128.5	172.1	-178.2	4.6	0	0	0	109.9	P231 K262 L266	N229-P231 VanDerWaalsContact O-CD 3.27Å; N229-P231 WeakPolarHBondContact O-CD 3.29Å; N229-K262 WeakPolarHBondContact OD1-CE 3.42Å; N229-K262 PolarHBondContact OD1-NZ 2.87Å; N229-L266 HydrophobicContact CB-CD1 4.02Å
230	F	81.5	Confident	73	Confident	50 Å²	50	78.4 Å²	78.4	22%	0.219	41%	0.411	C	S	.	.			trans	-100.3	101.7	173.9	-161	-92.4	0	0	0	109	F185 A228 T238 P239 A242 L253 K262	F185-F230 HydrophobicContact CE1-CE1 4.04Å; F185-F230 AromaticContact CE1-CZ 3.77Å; F185-F230 HydrophobicContact CE1-CZ 3.77Å; F185-F230 HydrophobicContact CZ-CE1 4.26Å; F185-F230 AromaticContact CZ-CZ 3.9Å; F185-F230 HydrophobicContact CZ-CZ 3.9Å; A228-F230 PolarHBondContact O-N 2.97Å; F230-T238 HydrophobicContact CE1-CG2 4.42Å; F230-P239 HydrophobicContact CE1-CG 4.44Å; F230-A242 HydrophobicContact CB-CB 4.24Å; F230-A242 WeakPolarHBondContact CB-O 3.5Å; F230-A242 HydrophobicContact CD1-CB 4.39Å; F230-A242 PolarHBondContact N-O 3.15Å; F230-L253 HydrophobicContact CB-CD1 4.04Å; F230-L253 HydrophobicContact CD1-CD1 4.32Å; F230-L253 HydrophobicContact CD2-CD1 3.97Å; F230-L253 HydrophobicContact CG-CD1 3.85Å; F230-K262 PolarHBondContact O-NZ 3.33Å
231	P	72.8	Confident	73	Confident	73 Å²	73	77.9 Å²	77.9	47%	0.474	41%	0.411	S	S	.	.			trans	-73.9	145.9	-177.2	28.3	-32.9	0	0	0	111.3	N229 M233	N229-P231 VanDerWaalsContact O-CD 3.27Å; N229-P231 WeakPolarHBondContact O-CD 3.29Å; P231-M233 PolarHBondContact O-N 3.29Å
232	P	63.8	Low	73.2	Confident	79 Å²	79	74.2 Å²	74.2	51%	0.513	39%	0.392	S	S	.	.			trans	-65.5	124.7	168.8	27.2	-30.7	0	0	0	108.9
233	M	59	Low	73.7	Confident	115 Å²	115	74.4 Å²	74.4	57%	0.567	39%	0.392	S	S	*	.			trans	-107.5	136	170.6	-74.5	-77.3	-77.3	0	0	107.6	P231 R235 T238	P231-M233 PolarHBondContact O-N 3.29Å; M233-R235 PolarHBondContact O-N 2.77Å; M233-T238 HydrophobicContact CB-CG2 3.93Å; M233-T238 PolarHBondContact N-OG1 2.9Å; M233-T238 PolarHBondContact O-OG1 3.43Å
234	D	55.1	Low	74.3	Confident	176 Å²	176	73.1 Å²	73.1	94%	0.941	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	9.7	-173.2	-120.1	-7.1	0	0	0	115.5	L236	D234-L236 PolarHBondContact O-N 2.67Å; D234-L236 VanDerWaalsContact O-N 3.13Å
235	R	52	Low	74.8	Confident	205 Å²	205	68.2 Å²	68.2	77%	0.774	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	75.2	174.8	-60.8	-171.3	-170.9	-145.3	3.3	110	M233 Q237	M233-R235 PolarHBondContact O-N 2.77Å; R235-Q237 PolarHBondContact O-N 2.72Å
236	L	55.7	Low	74.7	Confident	177 Å²	177	71.3 Å²	71.3	93%	0.927	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	37.1	-7.6	160.6	-80.1	161.9	0	0	0	122.1	D234	D234-L236 PolarHBondContact O-N 2.67Å; D234-L236 VanDerWaalsContact O-N 3.13Å
237	Q	62.2	Low	74.5	Confident	146 Å²	146	69.9 Å²	69.9	68%	0.682	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147	4.1	-172.2	-75.4	-175.6	2.1	0	0	113.8	F185 R235	F185-Q237 WeakPolarHBondContact CD2-O 3.42Å; R235-Q237 PolarHBondContact O-N 2.72Å
238	T	63.3	Low	73.2	Confident	37 Å²	37	77.4 Å²	77.4	23%	0.227	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-74.5	131.9	175	58.8	0	0	0	0	111.2	F230 M233 N240	F230-T238 HydrophobicContact CE1-CG2 4.42Å; M233-T238 HydrophobicContact CB-CG2 3.93Å; M233-T238 PolarHBondContact N-OG1 2.9Å; M233-T238 PolarHBondContact O-OG1 3.43Å; T238-N240 PolarHBondContact O-N 2.78Å
239	P	70.7	Confident	72.1	Confident	13 Å²	13	80.8 Å²	80.8	8%	0.084	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-68.7	124.9	178.3	26.2	-32.5	0	0	0	110.5	L180 F185 F230 A242 L253	L180-P239 HydrophobicContact CD1-CB 3.3Å; L180-P239 HydrophobicContact CD1-CG 3.57Å; F185-P239 HydrophobicContact CB-CG 4.26Å; F185-P239 VanDerWaalsContact CD1-CD 3.47Å; F185-P239 HydrophobicContact CD1-CG 3.76Å; F185-P239 HydrophobicContact CE1-CG 4.35Å; F185-P239 HydrophobicContact CG-CG 4.12Å; F230-P239 HydrophobicContact CE1-CG 4.44Å; P239-A242 HydrophobicContact CB-CB 4.15Å; P239-A242 HydrophobicContact CG-CB 3.93Å; P239-L253 HydrophobicContact CG-CD2 3.94Å
240	N	79.8	Confident	71.2	Confident	90 Å²	90	80.9 Å²	80.9	48%	0.481	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	153.6	172.1	-164.5	11.5	0	0	0	110.3	T238 A242 Q255	T238-N240 PolarHBondContact O-N 2.78Å; N240-A242 PolarHBondContact O-N 3.39Å; N240-Q255 WeakPolarHBondContact O-CG 3.46Å; N240-Q255 PolarHBondContact O-NE2 2.9Å
241	N	84.8	Confident	71.3	Confident	24 Å²	24	81.5 Å²	81.5	13%	0.128	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	29.3	178.7	-53.8	-25.6	0	0	0	114.9	T256 E257 P259	N241-T256 WeakPolarHBondContact CB-O 3.49Å; N241-T256 PolarHBondContact O-N 3.28Å; N241-T256 PolarHBondContact O-OG1 3.06Å; N241-E257 PolarHBondContact ND2-O 3.41Å; N241-P259 WeakPolarHBondContact OD1-CB 3.29Å
242	A	87.5	Confident	71.9	Confident	0 Å²	0	78.5 Å²	78.5	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	151.2	178.6	0	0	0	0	0	114.1	F230 P239 N240 L253 F254 Q255 K262	F230-A242 HydrophobicContact CB-CB 4.24Å; F230-A242 WeakPolarHBondContact CB-O 3.5Å; F230-A242 HydrophobicContact CD1-CB 4.39Å; F230-A242 PolarHBondContact N-O 3.15Å; P239-A242 HydrophobicContact CB-CB 4.15Å; P239-A242 HydrophobicContact CG-CB 3.93Å; N240-A242 PolarHBondContact O-N 3.39Å; A242-L253 HydrophobicContact CB-CD1 4.09Å; A242-L253 HydrophobicContact CB-CG 4.46Å; A242-F254 CarbonylContact C-O 3.58Å; A242-F254 WeakPolarHBondContact CA-O 3.48Å; A242-F254 WeakPolarHBondContact CB-O 3.49Å; A242-Q255 HydrophobicContact CB-CB 4.49Å; A242-K262 WeakPolarHBondContact O-CE 3.43Å; A242-K262 PolarHBondContact O-NZ 3.35Å
243	F	90	Very high	73.1	Confident	3 Å²	3	74.7 Å²	74.7	1%	0.013	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	152.3	167.9	69.6	-92.1	0	0	0	109.8	L177 V227 A228 F254 T256 W265 L266 L269	L177-F243 HydrophobicContact CD1-CE1 4.13Å; L177-F243 HydrophobicContact CD1-CZ 3.67Å; L177-F243 HydrophobicContact CD2-CE1 4.17Å; V227-F243 HydrophobicContact CG1-CD2 3.65Å; V227-F243 HydrophobicContact CG1-CE2 4.11Å; A228-F243 CarbonylContact O-C 3.55Å; A228-F243 WeakPolarHBondContact O-CA 3.5Å; F243-F254 HydrophobicContact CE1-CB 4.05Å; F243-F254 HydrophobicContact CE2-CB 4.2Å; F243-F254 HydrophobicContact CE2-CD2 4.22Å; F243-F254 HydrophobicContact CZ-CB 3.89Å; F243-F254 HydrophobicContact CZ-CD2 4.49Å; F243-F254 HydrophobicContact CZ-CG 4.5Å; F243-F254 PolarHBondContact N-O 3.32Å; F243-F254 PolarHBondContact O-N 3.21Å; F243-T256 HydrophobicContact CD1-CG2 4.32Å; F243-T256 HydrophobicContact CE1-CG2 3.95Å; F243-W265 HydrophobicContact CE1-CB 3.99Å; F243-W265 HydrophobicContact CE1-CG 4.22Å; F243-W265 HydrophobicContact CZ-CB 4.25Å; F243-W265 HydrophobicContact CZ-CG 4.42Å; F243-L266 HydrophobicContact CB-CD2 3.97Å; F243-L266 HydrophobicContact CG-CD2 4.31Å; F243-L269 HydrophobicContact CE2-CD1 4.32Å
244	K	88.6	Confident	74.7	Confident	47 Å²	47	69.4 Å²	69.4	20%	0.204	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	128.3	-174.6	-176.5	-178.9	176	-174.6	0	110	M182 A228 I246 N251 R252 L253	M182-K244 HydrophobicContact CE-CD 4.19Å; A228-K244 HydrophobicContact CB-CB 4.48Å; A228-K244 PolarHBondContact N-O 3.16Å; A228-K244 PolarHBondContact O-N 3.44Å; K244-I246 HydrophobicContact CD-CG1 4.39Å; K244-I246 HydrophobicContact CG-CG1 4.34Å; K244-N251 VanDerWaalsContact CE-CG 3.46Å; K244-N251 PolarHBondContact NZ-ND2 2.97Å; K244-R252 CarbonylContact C-O 3.6Å; K244-R252 WeakPolarHBondContact CA-O 3.41Å; K244-L253 HydrophobicContact CB-CD1 4.22Å
245	L	86.5	Confident	76.4	Confident	3 Å²	3	63.2 Å²	63.2	2%	0.016	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	114.3	168	-170.4	70.5	0	0	0	108.4	L200 I202 Y220 F225 V227 V247 N251 R252 F254	L200-L245 HydrophobicContact CD2-CD1 4.1Å; L200-L245 HydrophobicContact CD2-CD2 4.09Å; I202-L245 HydrophobicContact CD1-CD2 3.87Å; Y220-L245 HydrophobicContact CD2-CD2 4.22Å; Y220-L245 HydrophobicContact CE2-CD2 4.06Å; F225-L245 HydrophobicContact CB-CD1 4.17Å; F225-L245 HydrophobicContact CD2-CD1 3.32Å; F225-L245 HydrophobicContact CE2-CD1 3.84Å; F225-L245 HydrophobicContact CG-CD1 3.94Å; V227-L245 HydrophobicContact CG2-CD1 4.04Å; L245-V247 HydrophobicContact CD2-CG1 4.03Å; L245-V247 HydrophobicContact CD2-CG2 4.28Å; L245-V247 HydrophobicContact CG-CG1 3.92Å; L245-V247 HydrophobicContact CG-CG2 4.29Å; L245-V247 PolarHBondContact O-N 2.95Å; L245-N251 WeakPolarHBondContact O-CA 3.44Å; L245-R252 HydrophobicContact CB-CB 4.41Å; L245-R252 PolarHBondContact N-O 3.47Å; L245-R252 PolarHBondContact O-N 2.88Å; L245-F254 HydrophobicContact CB-CD2 4.3Å; L245-F254 HydrophobicContact CB-CE2 4.07Å; L245-F254 HydrophobicContact CD2-CE2 4.17Å
246	I	82.3	Confident	78.1	Confident	74 Å²	74	53.8 Å²	53.8	38%	0.379	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	100.1	178.8	-56.5	175.1	0	0	0	107.4	F225 A226 A228 K244 N251	F225-I246 WeakPolarHBondContact CA-O 3.29Å; A226-I246 HydrophobicContact CB-CB 4.24Å; A226-I246 PolarHBondContact N-O 2.97Å; A226-I246 PolarHBondContact O-N 3.4Å; A228-I246 HydrophobicContact CB-CD1 3.88Å; A228-I246 HydrophobicContact CB-CG1 4.43Å; K244-I246 HydrophobicContact CD-CG1 4.39Å; K244-I246 HydrophobicContact CG-CG1 4.34Å; I246-N251 VanDerWaalsContact CA-OD1 3.32Å; I246-N251 WeakPolarHBondContact CA-OD1 3.12Å; I246-N251 WeakPolarHBondContact CG2-OD1 3.35Å
247	V	76.8	Confident	79.3	Confident	6 Å²	6	51.7 Å²	51.7	4%	0.036	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	142.9	-179.2	-80	0	0	0	0	109	Y220 F225 L245 T250 N251 R252	Y220-V247 HydrophobicContact CD1-CB 4.13Å; Y220-V247 HydrophobicContact CD1-CG1 3.52Å; Y220-V247 HydrophobicContact CD2-CG1 4.34Å; Y220-V247 HydrophobicContact CE1-CB 3.7Å; Y220-V247 HydrophobicContact CE1-CG1 3.55Å; Y220-V247 HydrophobicContact CE1-CG2 4.03Å; Y220-V247 HydrophobicContact CE2-CG1 4.38Å; Y220-V247 HydrophobicContact CG-CG1 3.94Å; F225-V247 HydrophobicContact CB-CG1 3.28Å; F225-V247 HydrophobicContact CG-CG1 4.4Å; L245-V247 HydrophobicContact CD2-CG1 4.03Å; L245-V247 HydrophobicContact CD2-CG2 4.28Å; L245-V247 HydrophobicContact CG-CG1 3.92Å; L245-V247 HydrophobicContact CG-CG2 4.29Å; L245-V247 PolarHBondContact O-N 2.95Å; V247-T250 WeakPolarHBondContact CG2-O 3.35Å; V247-T250 CarbonylContact O-C 3.56Å; V247-T250 VanDerWaalsContact O-C 3.24Å; V247-T250 PolarHBondContact O-N 3.21Å; V247-N251 PolarHBondContact N-OD1 3.35Å; V247-N251 PolarHBondContact O-N 3.32Å; V247-R252 HydrophobicContact CG2-CG 4.33Å
248	F	57.8	Low	80.3	Confident	181 Å²	181	47.2 Å²	47.2	79%	0.794	25%	0.248	S	C	*	.	S	Bend	trans	-85.1	138.7	167	-178	-92.1	0	0	0	109
249	P	58.6	Low	81.1	Confident	102 Å²	102	48.9 Å²	48.9	66%	0.662	26%	0.259	S	S	*	.	S	Bend	cis	-87.8	-17.3	7.1	33.1	-34.6	0	0	0	115.3
250	T	66.6	Low	81.6	Confident	97 Å²	97	51.8 Å²	51.8	60%	0.595	28%	0.28	S	S	*	.			trans	-134.2	119.3	-172.7	53.1	0	0	0	0	111.6	V247	V247-T250 WeakPolarHBondContact CG2-O 3.35Å; V247-T250 CarbonylContact O-C 3.56Å; V247-T250 VanDerWaalsContact O-C 3.24Å; V247-T250 PolarHBondContact O-N 3.21Å
251	N	83	Confident	81.9	Confident	63 Å²	63	50 Å²	50	34%	0.337	27%	0.271	S	S	.	.			trans	-59.3	147.2	173.1	-59.6	-47.1	0	0	0	112	M182 K244 L245 I246 V247	M182-N251 HydrophobicContact CE-CB 4.35Å; K244-N251 VanDerWaalsContact CE-CG 3.46Å; K244-N251 PolarHBondContact NZ-ND2 2.97Å; L245-N251 WeakPolarHBondContact O-CA 3.44Å; I246-N251 VanDerWaalsContact CA-OD1 3.32Å; I246-N251 WeakPolarHBondContact CA-OD1 3.12Å; I246-N251 WeakPolarHBondContact CG2-OD1 3.35Å; V247-N251 PolarHBondContact N-OD1 3.35Å; V247-N251 PolarHBondContact O-N 3.32Å
252	R	85.7	Confident	82	Confident	10 Å²	10	49.7 Å²	49.7	4%	0.038	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.6	-178.9	-57.5	177	67	177.2	3.3	111	E179 Y204 S218 K244 L245 V247 F254	E179-R252 IonicContact OE1-CZ 3.81Å; E179-R252 VanDerWaalsContact OE1-CZ 3.27Å; E179-R252 IonicContact OE1-NE 3.68Å; E179-R252 PolarHBondContact OE1-NE 3.44Å; E179-R252 IonicContact OE1-NH2 3.45Å; E179-R252 PolarHBondContact OE1-NH2 2.71Å; E179-R252 IonicContact OE2-CZ 2.61Å; E179-R252 IonicContact OE2-NE 3.47Å; E179-R252 IonicContact OE2-NH2 2.79Å; E179-R252 PolarHBondContact OE2-NH2 3.42Å; Y204-R252 PolarHBondContact OH-NH2 3.31Å; S218-R252 PolarHBondContact OG-NH1 2.86Å; K244-R252 CarbonylContact C-O 3.6Å; K244-R252 WeakPolarHBondContact CA-O 3.41Å; L245-R252 HydrophobicContact CB-CB 4.41Å; L245-R252 PolarHBondContact N-O 3.47Å; L245-R252 PolarHBondContact O-N 2.88Å; V247-R252 HydrophobicContact CG2-CG 4.33Å; R252-F254 HydrophobicContact CB-CE2 3.84Å; R252-F254 HydrophobicContact CB-CZ 4.17Å
253	L	89.7	Confident	81.9	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	123.5	-179.4	-174	66.2	0	0	0	109.6	E179 L180 M182 F185 F230 P239 A242 K244	E179-L253 WeakPolarHBondContact CA-O 3.24Å; L180-L253 HydrophobicContact CB-CB 4.42Å; L180-L253 HydrophobicContact CB-CD2 4.09Å; L180-L253 HydrophobicContact CB-CG 4.3Å; L180-L253 HydrophobicContact CD1-CD2 4.43Å; L180-L253 PolarHBondContact N-O 3.2Å; M182-L253 HydrophobicContact SD-CB 3.89Å; F185-L253 HydrophobicContact CD1-CD2 3.5Å; F185-L253 HydrophobicContact CE1-CD2 3.71Å; F230-L253 HydrophobicContact CB-CD1 4.04Å; F230-L253 HydrophobicContact CD1-CD1 4.32Å; F230-L253 HydrophobicContact CD2-CD1 3.97Å; F230-L253 HydrophobicContact CG-CD1 3.85Å; P239-L253 HydrophobicContact CG-CD2 3.94Å; A242-L253 HydrophobicContact CB-CD1 4.09Å; A242-L253 HydrophobicContact CB-CG 4.46Å; K244-L253 HydrophobicContact CB-CD1 4.22Å
254	F	92.3	Very high	81.6	Confident	3 Å²	3	59.4 Å²	59.4	1%	0.013	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	138.9	179.6	-66.9	-72.8	0	0	0	110.9	L177 R178 E179 A191 I202 A242 F243 L245 R252	L177-F254 HydrophobicContact CB-CB 4.33Å; L177-F254 HydrophobicContact CB-CD1 3.91Å; L177-F254 HydrophobicContact CB-CG 4.41Å; L177-F254 HydrophobicContact CD1-CB 4.15Å; L177-F254 HydrophobicContact CD1-CD1 4.34Å; L177-F254 HydrophobicContact CD1-CG 4.19Å; R178-F254 CarbonylContact O-C 3.6Å; R178-F254 WeakPolarHBondContact O-CA 3.41Å; E179-F254 HydrophobicContact CB-CD1 4.07Å; E179-F254 HydrophobicContact CB-CE1 3.84Å; E179-F254 HydrophobicContact CG-CD1 4.44Å; E179-F254 HydrophobicContact CG-CE1 4.03Å; A191-F254 HydrophobicContact CB-CE1 4.08Å; I202-F254 HydrophobicContact CD1-CE2 4.02Å; I202-F254 HydrophobicContact CD1-CZ 3.72Å; I202-F254 HydrophobicContact CG2-CZ 4.47Å; A242-F254 CarbonylContact C-O 3.58Å; A242-F254 WeakPolarHBondContact CA-O 3.48Å; A242-F254 WeakPolarHBondContact CB-O 3.49Å; F243-F254 HydrophobicContact CE1-CB 4.05Å; F243-F254 HydrophobicContact CE2-CB 4.2Å; F243-F254 HydrophobicContact CE2-CD2 4.22Å; F243-F254 HydrophobicContact CZ-CB 3.89Å; F243-F254 HydrophobicContact CZ-CD2 4.49Å; F243-F254 HydrophobicContact CZ-CG 4.5Å; F243-F254 PolarHBondContact N-O 3.32Å; F243-F254 PolarHBondContact O-N 3.21Å; L245-F254 HydrophobicContact CB-CD2 4.3Å; L245-F254 HydrophobicContact CB-CE2 4.07Å; L245-F254 HydrophobicContact CD2-CE2 4.17Å; R252-F254 HydrophobicContact CB-CE2 3.84Å; R252-F254 HydrophobicContact CB-CZ 4.17Å
255	Q	89.9	Confident	81.7	Confident	47 Å²	47	57.7 Å²	57.7	22%	0.22	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	132.7	175.7	-178.4	179.4	44.4	0	0	110.3	R178 L180 N240 A242	R178-Q255 HydrophobicContact CB-CB 4.28Å; R178-Q255 PolarHBondContact N-O 2.7Å; R178-Q255 VanDerWaalsContact N-O 3.07Å; R178-Q255 PolarHBondContact O-N 3Å; L180-Q255 HydrophobicContact CD1-CB 3.84Å; L180-Q255 HydrophobicContact CG-CB 4.19Å; N240-Q255 WeakPolarHBondContact O-CG 3.46Å; N240-Q255 PolarHBondContact O-NE2 2.9Å; A242-Q255 HydrophobicContact CB-CB 4.49Å
256	T	88.6	Confident	81.8	Confident	6 Å²	6	58.6 Å²	58.6	4%	0.037	31%	0.306	C	S	.	.			trans	-98.3	159.7	174	56.6	0	0	0	0	110.9	L177 N241 F243 T258 D261 K262	L177-T256 HydrophobicContact CD2-CG2 3.49Å; L177-T256 VanDerWaalsContact CD2-CG2 3.49Å; N241-T256 WeakPolarHBondContact CB-O 3.49Å; N241-T256 PolarHBondContact O-N 3.28Å; N241-T256 PolarHBondContact O-OG1 3.06Å; F243-T256 HydrophobicContact CD1-CG2 4.32Å; F243-T256 HydrophobicContact CE1-CG2 3.95Å; T256-T258 PolarHBondContact OG1-O 3.4Å; T256-D261 HydrophobicContact CG2-CB 4.38Å; T256-K262 HydrophobicContact CG2-CB 4.37Å; T256-K262 WeakPolarHBondContact OG1-CB 3.36Å; T256-K262 PolarHBondContact OG1-N 3.03Å
257	E	81.5	Confident	82	Confident	134 Å²	134	58.4 Å²	58.4	63%	0.626	31%	0.308	S	S	*	.	S	Bend	trans	-72.6	-46.1	179.8	-51.2	-147.3	124.9	0	0	111.6	R178 N241	R178-E257 IonicContact CZ-OE1 3.56Å; R178-E257 IonicContact NH1-OE1 2.78Å; R178-E257 IonicContact NH2-OE1 3.3Å; R178-E257 PolarHBondContact NH2-OE1 3.02Å; N241-E257 PolarHBondContact ND2-O 3.41Å
258	T	81.6	Confident	82.6	Confident	51 Å²	51	58.9 Å²	58.9	31%	0.313	31%	0.31	S	S	.	.	S	Bend	trans	-115.8	149.1	-179.3	75.4	0	0	0	0	112.3	T256 S260 D261 K262	T256-T258 PolarHBondContact OG1-O 3.4Å; T258-S260 WeakPolarHBondContact CB-OG 3.3Å; T258-S260 PolarHBondContact O-N 2.97Å; T258-S260 PolarHBondContact OG1-OG 2.92Å; T258-D261 PolarHBondContact O-N 3.36Å; T258-D261 VanDerWaalsContact O-N 3.08Å; T258-D261 PolarHBondContact OG1-N 2.89Å; T258-D261 VanDerWaalsContact OG1-N 3.07Å; T258-D261 PolarHBondContact OG1-OD1 3.4Å; T258-D261 PolarHBondContact OG1-OD2 3.32Å; T258-K262 PolarHBondContact O-N 3.05Å; T258-K262 VanDerWaalsContact O-N 3.1Å
259	P	80	Confident	84	Confident	72 Å²	72	50.4 Å²	50.4	47%	0.468	27%	0.273	S	S	.	.	H	α-helix	trans	-63.8	-25.2	174.3	25.6	-33.4	0	0	0	112.5	N241 K263	N241-P259 WeakPolarHBondContact OD1-CB 3.29Å; P259-K263 WeakPolarHBondContact O-CG 3.42Å; P259-K263 PolarHBondContact O-N 3.3Å; P259-K263 VanDerWaalsContact O-N 3.1Å
260	S	81.7	Confident	85.2	Confident	75 Å²	75	50 Å²	50	52%	0.524	26%	0.262	S	S	.	.	H	α-helix	trans	-63.8	-43.9	170.3	29.6	0	0	0	0	111.7	T258 K263 R264	T258-S260 WeakPolarHBondContact CB-OG 3.3Å; T258-S260 PolarHBondContact O-N 2.97Å; T258-S260 PolarHBondContact OG1-OG 2.92Å; S260-K263 PolarHBondContact O-N 3.35Å; S260-R264 WeakPolarHBondContact O-CB 3.2Å; S260-R264 PolarHBondContact O-N 3.28Å
261	D	85.7	Confident	86	Confident	53 Å²	53	49.1 Å²	49.1	28%	0.283	25%	0.252	S	S	.	.	H	α-helix	trans	-66.2	-39.3	177	-61.5	-35.2	0	0	0	111.3	T256 T258 K263 R264 W265	T256-D261 HydrophobicContact CG2-CB 4.38Å; T258-D261 PolarHBondContact O-N 3.36Å; T258-D261 VanDerWaalsContact O-N 3.08Å; T258-D261 PolarHBondContact OG1-N 2.89Å; T258-D261 VanDerWaalsContact OG1-N 3.07Å; T258-D261 PolarHBondContact OG1-OD1 3.4Å; T258-D261 PolarHBondContact OG1-OD2 3.32Å; D261-K263 PolarHBondContact O-N 2.96Å; D261-R264 WeakPolarHBondContact O-CB 3.46Å; D261-R264 PolarHBondContact O-N 2.99Å; D261-W265 VanDerWaalsContact O-CD1 3.27Å; D261-W265 PolarHBondContact O-N 2.99Å
262	K	87.4	Confident	86	Confident	17 Å²	17	46.3 Å²	46.3	7%	0.074	24%	0.237	C	C	.	.	H	α-helix	trans	-55.2	-52.1	172	179.4	171.8	168.5	174.1	0	111.9	N229 F230 A242 T256 T258 R264 W265 L266	N229-K262 WeakPolarHBondContact OD1-CE 3.42Å; N229-K262 PolarHBondContact OD1-NZ 2.87Å; F230-K262 PolarHBondContact O-NZ 3.33Å; A242-K262 WeakPolarHBondContact O-CE 3.43Å; A242-K262 PolarHBondContact O-NZ 3.35Å; T256-K262 HydrophobicContact CG2-CB 4.37Å; T256-K262 WeakPolarHBondContact OG1-CB 3.36Å; T256-K262 PolarHBondContact OG1-N 3.03Å; T258-K262 PolarHBondContact O-N 3.05Å; T258-K262 VanDerWaalsContact O-N 3.1Å; K262-R264 VanDerWaalsContact C-N 3.26Å; K262-R264 PolarHBondContact O-N 3.23Å; K262-W265 PolarHBondContact O-N 2.97Å; K262-L266 HydrophobicContact CG-CD1 4.16Å; K262-L266 WeakPolarHBondContact O-CG 3.37Å; K262-L266 PolarHBondContact O-N 2.85Å
263	K	84.6	Confident	85.8	Confident	152 Å²	152	46.4 Å²	46.4	66%	0.661	24%	0.238	S	C	*	.	H	α-helix	trans	-58.8	-44.2	178.3	-74.4	-179.2	178.9	-176.8	0	110.1	P259 S260 D261 W265 L266 T267	P259-K263 WeakPolarHBondContact O-CG 3.42Å; P259-K263 PolarHBondContact O-N 3.3Å; P259-K263 VanDerWaalsContact O-N 3.1Å; S260-K263 PolarHBondContact O-N 3.35Å; D261-K263 PolarHBondContact O-N 2.96Å; K263-W265 PolarHBondContact O-N 2.91Å; K263-L266 PolarHBondContact O-N 2.88Å; K263-T267 PolarHBondContact O-N 3.19Å; K263-T267 PolarHBondContact O-OG1 3.39Å
264	R	85.3	Confident	85.4	Confident	54 Å²	54	53.5 Å²	53.5	20%	0.204	27%	0.265	C	S	.	.	H	α-helix	trans	-58	-48	177.6	-173	-177.8	-178.2	178.5	6.9	112.8	L140 P141 S260 D261 K262 T267 L268	L140-R264 HydrophobicContact CD1-CG 4.12Å; P141-R264 PolarHBondContact O-NH2 2.94Å; S260-R264 WeakPolarHBondContact O-CB 3.2Å; S260-R264 PolarHBondContact O-N 3.28Å; D261-R264 WeakPolarHBondContact O-CB 3.46Å; D261-R264 PolarHBondContact O-N 2.99Å; K262-R264 VanDerWaalsContact C-N 3.26Å; K262-R264 PolarHBondContact O-N 3.23Å; R264-T267 PolarHBondContact O-N 2.9Å; R264-L268 WeakPolarHBondContact O-CB 3.43Å; R264-L268 PolarHBondContact O-N 3.13Å
265	W	90.6	Very high	84.9	Confident	12 Å²	12	59.4 Å²	59.4	5%	0.045	29%	0.29	C	S	.	.	H	α-helix	trans	-61.4	-43.9	177.4	-87.6	106.6	0	0	0	112.2	F173 L177 V193 V195 F243 D261 K262 K263 L269	F173-W265 AromaticContact CD1-CH2 3.9Å; F173-W265 HydrophobicContact CD1-CH2 3.9Å; F173-W265 HydrophobicContact CD1-CZ2 4.1Å; F173-W265 HydrophobicContact CD1-CZ3 4.17Å; F173-W265 HydrophobicContact CE1-CD2 4.43Å; F173-W265 AromaticContact CE1-CE2 3.97Å; F173-W265 HydrophobicContact CE1-CH2 4.1Å; F173-W265 AromaticContact CE1-CZ2 3.8Å; F173-W265 HydrophobicContact CE1-CZ2 3.8Å; L177-W265 HydrophobicContact CD1-CD2 4.34Å; L177-W265 HydrophobicContact CD1-CH2 4.48Å; L177-W265 HydrophobicContact CD1-CZ2 4.15Å; L177-W265 HydrophobicContact CG-CZ2 4.23Å; V193-W265 HydrophobicContact CB-CH2 3.79Å; V193-W265 HydrophobicContact CB-CZ3 4.33Å; V193-W265 HydrophobicContact CG1-CH2 3.85Å; V193-W265 HydrophobicContact CG1-CZ3 3.9Å; V195-W265 HydrophobicContact CG2-CH2 4.36Å; V195-W265 HydrophobicContact CG2-CZ3 3.66Å; F243-W265 HydrophobicContact CE1-CB 3.99Å; F243-W265 HydrophobicContact CE1-CG 4.22Å; F243-W265 HydrophobicContact CZ-CB 4.25Å; F243-W265 HydrophobicContact CZ-CG 4.42Å; D261-W265 VanDerWaalsContact O-CD1 3.27Å; D261-W265 PolarHBondContact O-N 2.99Å; K262-W265 PolarHBondContact O-N 2.97Å; K263-W265 PolarHBondContact O-N 2.91Å; W265-L269 HydrophobicContact CE3-CD1 4.09Å; W265-L269 HydrophobicContact CE3-CG 4.25Å; W265-L269 WeakPolarHBondContact O-CB 3.44Å; W265-L269 VanDerWaalsContact O-CG 3.26Å; W265-L269 WeakPolarHBondContact O-CG 3.47Å; W265-L269 PolarHBondContact O-N 3.48Å
266	L	87.8	Confident	84.4	Confident	22 Å²	22	59.7 Å²	59.7	12%	0.115	29%	0.29	C	S	.	.	H	α-helix	trans	-62	-52.1	177.7	-68.9	173.9	0	0	0	111.2	V227 N229 F243 K262 K263 L268 L269 E270	V227-L266 HydrophobicContact CG1-CD2 3.52Å; N229-L266 HydrophobicContact CB-CD1 4.02Å; F243-L266 HydrophobicContact CB-CD2 3.97Å; F243-L266 HydrophobicContact CG-CD2 4.31Å; K262-L266 HydrophobicContact CG-CD1 4.16Å; K262-L266 WeakPolarHBondContact O-CG 3.37Å; K262-L266 PolarHBondContact O-N 2.85Å; K263-L266 PolarHBondContact O-N 2.88Å; L266-L268 PolarHBondContact O-N 3.34Å; L266-L269 PolarHBondContact O-N 3.03Å; L266-E270 WeakPolarHBondContact O-CB 3.5Å; L266-E270 WeakPolarHBondContact O-CG 3.38Å; L266-E270 PolarHBondContact O-N 3.43Å
267	T	86.9	Confident	83.7	Confident	70 Å²	70	65 Å²	65	43%	0.429	31%	0.309	S	S	.	.	H	α-helix	trans	-61.8	-44.1	-179.8	-43.9	0	0	0	0	111.3	K263 R264 E270 E271	K263-T267 PolarHBondContact O-N 3.19Å; K263-T267 PolarHBondContact O-OG1 3.39Å; R264-T267 PolarHBondContact O-N 2.9Å; T267-E270 PolarHBondContact O-N 3.48Å; T267-E271 HydrophobicContact CG2-CG 4.48Å; T267-E271 WeakPolarHBondContact O-CB 3.31Å; T267-E271 VanDerWaalsContact O-CG 3.3Å; T267-E271 WeakPolarHBondContact O-CG 3.2Å; T267-E271 PolarHBondContact O-N 3.38Å
268	L	88.8	Confident	83.4	Confident	15 Å²	15	63 Å²	63	8%	0.079	30%	0.302	C	S	.	.	H	α-helix	trans	-65.2	-45	-179.2	178.1	77.4	0	0	0	112.8	I172 F173 V195 R264 L266 E270 E271 T272	I172-L268 HydrophobicContact CG2-CD1 4.37Å; F173-L268 HydrophobicContact CB-CD1 4.39Å; F173-L268 HydrophobicContact CB-CD2 3.37Å; F173-L268 HydrophobicContact CB-CG 4.41Å; F173-L268 HydrophobicContact CD1-CD2 3.17Å; F173-L268 HydrophobicContact CD2-CD2 4.13Å; F173-L268 HydrophobicContact CE1-CD2 3.96Å; F173-L268 HydrophobicContact CG-CD2 3.27Å; V195-L268 HydrophobicContact CG2-CD2 4.45Å; R264-L268 WeakPolarHBondContact O-CB 3.43Å; R264-L268 PolarHBondContact O-N 3.13Å; L266-L268 PolarHBondContact O-N 3.34Å; L268-E270 VanDerWaalsContact C-N 3.34Å; L268-E271 PolarHBondContact O-N 3.29Å; L268-T272 VanDerWaalsContact O-CB 3.29Å; L268-T272 WeakPolarHBondContact O-CB 3.42Å; L268-T272 PolarHBondContact O-N 2.94Å; L268-T272 PolarHBondContact O-OG1 3.46Å
269	L	86.7	Confident	82.8	Confident	3 Å²	3	64.9 Å²	64.9	2%	0.016	31%	0.314	C	S	.	.	H	α-helix	trans	-64.9	-42.5	178.6	-73.2	167.8	0	0	0	110	V195 L200 F225 V227 F243 W265 L266 T272 M273	V195-L269 HydrophobicContact CG1-CD2 4.34Å; V195-L269 HydrophobicContact CG2-CD2 3.84Å; L200-L269 HydrophobicContact CD1-CD2 3.86Å; F225-L269 HydrophobicContact CE2-CD2 4.47Å; F225-L269 HydrophobicContact CZ-CD2 4.4Å; V227-L269 HydrophobicContact CG1-CD1 4.13Å; V227-L269 HydrophobicContact CG2-CB 4.02Å; V227-L269 HydrophobicContact CG2-CD1 3.8Å; V227-L269 HydrophobicContact CG2-CG 4.45Å; F243-L269 HydrophobicContact CE2-CD1 4.32Å; W265-L269 HydrophobicContact CE3-CD1 4.09Å; W265-L269 HydrophobicContact CE3-CG 4.25Å; W265-L269 WeakPolarHBondContact O-CB 3.44Å; W265-L269 VanDerWaalsContact O-CG 3.26Å; W265-L269 WeakPolarHBondContact O-CG 3.47Å; W265-L269 PolarHBondContact O-N 3.48Å; L266-L269 PolarHBondContact O-N 3.03Å; L269-T272 PolarHBondContact O-N 3Å; L269-M273 HydrophobicContact CB-CE 4.43Å; L269-M273 WeakPolarHBondContact O-CB 3.4Å; L269-M273 WeakPolarHBondContact O-CE 3.48Å; L269-M273 VanDerWaalsContact O-CG 3.23Å; L269-M273 WeakPolarHBondContact O-CG 3.44Å; L269-M273 PolarHBondContact O-N 2.88Å
270	E	84.3	Confident	81.6	Confident	93 Å²	93	65.5 Å²	65.5	44%	0.435	31%	0.313	S	S	.	.	H	α-helix	trans	-62.3	-45.2	175.1	-75.4	178.7	-169.9	0	0	112.8	L266 T267 L268 M273 R274	L266-E270 WeakPolarHBondContact O-CB 3.5Å; L266-E270 WeakPolarHBondContact O-CG 3.38Å; L266-E270 PolarHBondContact O-N 3.43Å; T267-E270 PolarHBondContact O-N 3.48Å; L268-E270 VanDerWaalsContact C-N 3.34Å; E270-M273 HydrophobicContact CG-CE 4.31Å; E270-R274 VanDerWaalsContact O-CB 3.25Å; E270-R274 WeakPolarHBondContact O-CB 3.43Å; E270-R274 PolarHBondContact O-N 2.97Å
271	E	84.1	Confident	80.1	Confident	80 Å²	80	65.7 Å²	65.7	37%	0.374	32%	0.315	S	S	.	.	H	α-helix	trans	-63.3	-42.3	176.5	-79.5	-178.4	-163.7	0	0	112.2	T267 L268 R274 K275	T267-E271 HydrophobicContact CG2-CG 4.48Å; T267-E271 WeakPolarHBondContact O-CB 3.31Å; T267-E271 VanDerWaalsContact O-CG 3.3Å; T267-E271 WeakPolarHBondContact O-CG 3.2Å; T267-E271 PolarHBondContact O-N 3.38Å; L268-E271 PolarHBondContact O-N 3.29Å; E271-R274 PolarHBondContact O-N 3.26Å; E271-K275 WeakPolarHBondContact O-CB 3.28Å; E271-K275 WeakPolarHBondContact O-CG 3.07Å; E271-K275 PolarHBondContact O-N 3.04Å
272	T	83.1	Confident	78.1	Confident	3 Å²	3	70.7 Å²	70.7	2%	0.018	33%	0.331	C	S	.	.	H	α-helix	trans	-67.4	-45.2	180	-55.9	0	0	0	0	111	I172 V195 L222 L268 L269 R274 K275 Y276	I172-T272 HydrophobicContact CD1-CG2 3.62Å; V195-T272 HydrophobicContact CG1-CG2 3.72Å; L222-T272 HydrophobicContact CD1-CG2 3.72Å; L222-T272 HydrophobicContact CD2-CG2 4.3Å; L268-T272 VanDerWaalsContact O-CB 3.29Å; L268-T272 WeakPolarHBondContact O-CB 3.42Å; L268-T272 PolarHBondContact O-N 2.94Å; L268-T272 PolarHBondContact O-OG1 3.46Å; L269-T272 PolarHBondContact O-N 3Å; T272-R274 VanDerWaalsContact C-N 3.28Å; T272-R274 PolarHBondContact O-N 3.15Å; T272-K275 PolarHBondContact O-N 3.42Å; T272-Y276 WeakPolarHBondContact O-CB 3.4Å; T272-Y276 PolarHBondContact O-N 3.19Å
273	M	81.7	Confident	75.9	Confident	12 Å²	12	74.6 Å²	74.6	6%	0.059	36%	0.356	C	S	.	.	H	α-helix	trans	-59.4	-39.4	173	-73.1	-174.7	-68.3	0	0	111.6	L222 F225 V227 L269 E270 R277	L222-M273 HydrophobicContact CB-CG 4.31Å; L222-M273 HydrophobicContact CD2-CG 4.11Å; F225-M273 HydrophobicContact CD2-SD 4.24Å; F225-M273 HydrophobicContact CE2-SD 3.81Å; F225-M273 HydrophobicContact CZ-CG 4.42Å; F225-M273 HydrophobicContact CZ-SD 4.24Å; V227-M273 HydrophobicContact CG2-CE 4.1Å; L269-M273 HydrophobicContact CB-CE 4.43Å; L269-M273 WeakPolarHBondContact O-CB 3.4Å; L269-M273 WeakPolarHBondContact O-CE 3.48Å; L269-M273 VanDerWaalsContact O-CG 3.23Å; L269-M273 WeakPolarHBondContact O-CG 3.44Å; L269-M273 PolarHBondContact O-N 2.88Å; E270-M273 HydrophobicContact CG-CE 4.31Å; M273-R277 WeakPolarHBondContact O-CB 3.31Å; M273-R277 VanDerWaalsContact O-CG 3.28Å; M273-R277 WeakPolarHBondContact O-CG 3.41Å; M273-R277 PolarHBondContact O-N 3.4Å
274	R	80.2	Confident	73.6	Confident	149 Å²	149	71.4 Å²	71.4	56%	0.562	36%	0.358	S	S	*	.	H	α-helix	trans	-67.5	-45.3	177.7	-167.1	-176.4	-54.3	173.8	4.6	112.1	E270 E271 T272 R277 N278	E270-R274 VanDerWaalsContact O-CB 3.25Å; E270-R274 WeakPolarHBondContact O-CB 3.43Å; E270-R274 PolarHBondContact O-N 2.97Å; E271-R274 PolarHBondContact O-N 3.26Å; T272-R274 VanDerWaalsContact C-N 3.28Å; T272-R274 PolarHBondContact O-N 3.15Å; R274-R277 PolarHBondContact O-N 3.41Å; R274-N278 VanDerWaalsContact O-CG 3.28Å; R274-N278 PolarHBondContact O-N 3.06Å
275	K	82.4	Confident	71.1	Confident	127 Å²	127	71.9 Å²	71.9	55%	0.552	37%	0.37	S	S	*	.	H	α-helix	trans	-60.2	-47	176	-76.7	171.9	-178.6	166	0	111	E271 T272 R277 N278 T279	E271-K275 WeakPolarHBondContact O-CB 3.28Å; E271-K275 WeakPolarHBondContact O-CG 3.07Å; E271-K275 PolarHBondContact O-N 3.04Å; T272-K275 PolarHBondContact O-N 3.42Å; K275-R277 PolarHBondContact O-N 3.48Å; K275-N278 PolarHBondContact O-N 3.28Å; K275-T279 PolarHBondContact O-N 2.66Å; K275-T279 PolarHBondContact O-OG1 3.36Å; K275-T279 VanDerWaalsContact O-OG1 3.06Å
276	Y	78.9	Confident	68.2	Low	53 Å²	53	77.4 Å²	77.4	21%	0.208	40%	0.4	C	S	.	.	H	α-helix	trans	-60.4	-45.4	178	-179.2	-111.2	0	0	0	112.5	T197 D198 L222 N223 T272 N278 T279 N280	T197-Y276 VanDerWaalsContact O-CD2 3.29Å; T197-Y276 WeakPolarHBondContact O-CD2 3.4Å; D198-Y276 HydrophobicContact CB-CD2 3.86Å; D198-Y276 HydrophobicContact CB-CE2 3.32Å; L222-Y276 HydrophobicContact CB-CD1 3.79Å; L222-Y276 HydrophobicContact CB-CE1 4.3Å; L222-Y276 HydrophobicContact CB-CG 4.25Å; L222-Y276 HydrophobicContact CD1-CD1 4.27Å; L222-Y276 HydrophobicContact CD1-CD2 4.4Å; L222-Y276 HydrophobicContact CD1-CG 3.88Å; N223-Y276 WeakPolarHBondContact ND2-CE1 3.4Å; T272-Y276 WeakPolarHBondContact O-CB 3.4Å; T272-Y276 PolarHBondContact O-N 3.19Å; Y276-N278 VanDerWaalsContact C-N 3.35Å; Y276-N278 PolarHBondContact O-N 2.95Å; Y276-T279 PolarHBondContact O-N 2.91Å; Y276-N280 WeakPolarHBondContact O-CB 3.39Å; Y276-N280 PolarHBondContact O-N 3.19Å
277	R	74.3	Confident	65.5	Low	119 Å²	119	84.1 Å²	84.1	45%	0.449	44%	0.435	S	S	.	.	H	α-helix	trans	-61	-42.1	176.1	-74.3	174.7	-171.2	145.3	6.8	112.5	M273 R274 K275 S281	M273-R277 WeakPolarHBondContact O-CB 3.31Å; M273-R277 VanDerWaalsContact O-CG 3.28Å; M273-R277 WeakPolarHBondContact O-CG 3.41Å; M273-R277 PolarHBondContact O-N 3.4Å; R274-R277 PolarHBondContact O-N 3.41Å; K275-R277 PolarHBondContact O-N 3.48Å; R277-S281 WeakPolarHBondContact O-CB 3.39Å; R277-S281 PolarHBondContact O-N 3.17Å
278	N	75.5	Confident	62.9	Low	90 Å²	90	89.8 Å²	89.8	48%	0.481	45%	0.454	S	S	.	.	H	α-helix	trans	-65.5	-48	177.1	-70.3	-7	0	0	0	111.1	R274 K275 Y276 N280 S281 Y282	R274-N278 VanDerWaalsContact O-CG 3.28Å; R274-N278 PolarHBondContact O-N 3.06Å; K275-N278 PolarHBondContact O-N 3.28Å; Y276-N278 VanDerWaalsContact C-N 3.35Å; Y276-N278 PolarHBondContact O-N 2.95Å; N278-N280 VanDerWaalsContact C-N 3.33Å; N278-N280 PolarHBondContact O-N 3.43Å; N278-S281 WeakPolarHBondContact O-CB 3.49Å; N278-S281 PolarHBondContact O-N 3.21Å; N278-Y282 WeakPolarHBondContact O-CD2 3.39Å; N278-Y282 PolarHBondContact O-N 3Å; N278-Y282 VanDerWaalsContact O-N 3.12Å
279	T	68.5	Low	59.9	Low	92 Å²	92	94.7 Å²	94.7	56%	0.564	49%	0.49	S	S	*	.	H	α-helix	trans	-59.4	-42.8	177.4	-57.9	0	0	0	0	111.8	K275 Y276 S281 Y282 V283	K275-T279 PolarHBondContact O-N 2.66Å; K275-T279 PolarHBondContact O-OG1 3.36Å; K275-T279 VanDerWaalsContact O-OG1 3.06Å; Y276-T279 PolarHBondContact O-N 2.91Å; T279-S281 VanDerWaalsContact C-N 3.31Å; T279-S281 PolarHBondContact O-N 3.4Å; T279-Y282 PolarHBondContact O-N 2.91Å; T279-V283 PolarHBondContact O-N 3.39Å
280	N	54.7	Low	57.1	Low	84 Å²	84	101.4 Å²	101.4	45%	0.449	53%	0.525	S	S	.	.	H	α-helix	trans	-67.5	-32.7	178.8	-152.2	35.9	0	0	0	112.2	Y276 N278 V283 A284	Y276-N280 WeakPolarHBondContact O-CB 3.39Å; Y276-N280 PolarHBondContact O-N 3.19Å; N278-N280 VanDerWaalsContact C-N 3.33Å; N278-N280 PolarHBondContact O-N 3.43Å; N280-V283 PolarHBondContact O-N 2.99Å; N280-A284 PolarHBondContact O-N 3.38Å
281	S	50.6	Low	54.4	Low	79 Å²	79	101.9 Å²	101.9	55%	0.552	54%	0.537	S	S	*	.	H	α-helix	trans	-64.9	-37.7	172.8	-171.6	0	0	0	0	112.6	R277 N278 T279 A284 S285	R277-S281 WeakPolarHBondContact O-CB 3.39Å; R277-S281 PolarHBondContact O-N 3.17Å; N278-S281 WeakPolarHBondContact O-CB 3.49Å; N278-S281 PolarHBondContact O-N 3.21Å; T279-S281 VanDerWaalsContact C-N 3.31Å; T279-S281 PolarHBondContact O-N 3.4Å; S281-A284 PolarHBondContact O-N 3.35Å; S281-S285 PolarHBondContact O-N 2.86Å; S281-S285 PolarHBondContact O-OG 3.4Å
282	Y	43.9	Very low	51.8	Low	159 Å²	159	107 Å²	107	62%	0.624	56%	0.56	S	S	*	*	H	α-helix	trans	-69.5	-32.7	178.9	-77.9	-72.3	0	0	0	113	N278 T279 A284 S285 N286	N278-Y282 WeakPolarHBondContact O-CD2 3.39Å; N278-Y282 PolarHBondContact O-N 3Å; N278-Y282 VanDerWaalsContact O-N 3.12Å; T279-Y282 PolarHBondContact O-N 2.91Å; Y282-A284 VanDerWaalsContact C-N 3.34Å; Y282-S285 PolarHBondContact O-N 2.78Å; Y282-S285 PolarHBondContact O-OG 3.23Å; Y282-S285 VanDerWaalsContact O-OG 3.05Å; Y282-N286 PolarHBondContact O-N 2.84Å; Y282-N286 PolarHBondContact O-ND2 3.39Å
283	V	41.4	Very low	49	Very low	99 Å²	99	114.1 Å²	114.1	60%	0.6	60%	0.596	S	S	*	*	H	α-helix	trans	-68.5	-35.6	177.2	-177.8	0	0	0	0	111.1	T279 N280 S285	T279-V283 PolarHBondContact O-N 3.39Å; N280-V283 PolarHBondContact O-N 2.99Å; V283-S285 VanDerWaalsContact C-N 3.32Å; V283-S285 PolarHBondContact O-N 2.91Å
284	A	36.3	Very low	46.4	Very low	85 Å²	85	119.5 Å²	119.5	70%	0.702	63%	0.63	S	S	*	*	H	α-helix	trans	-68.3	-28.8	175.7	0	0	0	0	0	113.2	N280 S281 Y282	N280-A284 PolarHBondContact O-N 3.38Å; S281-A284 PolarHBondContact O-N 3.35Å; Y282-A284 VanDerWaalsContact C-N 3.34Å
285	S	32.8	Very low	43.7	Very low	64 Å²	64	117.9 Å²	117.9	45%	0.448	64%	0.637	S	S	.	*	H	α-helix	trans	-88	-18.4	-178.5	54.3	0	0	0	0	115	S281 Y282 V283 L287 K288	S281-S285 PolarHBondContact O-N 2.86Å; S281-S285 PolarHBondContact O-OG 3.4Å; Y282-S285 PolarHBondContact O-N 2.78Å; Y282-S285 PolarHBondContact O-OG 3.23Å; Y282-S285 VanDerWaalsContact O-OG 3.05Å; V283-S285 VanDerWaalsContact C-N 3.32Å; V283-S285 PolarHBondContact O-N 2.91Å; S285-L287 PolarHBondContact O-N 3.42Å; S285-L287 VanDerWaalsContact O-N 3.11Å; S285-K288 PolarHBondContact O-N 3.3Å
286	N	29.9	Very low	41.1	Very low	128 Å²	128	119.3 Å²	119.3	68%	0.684	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	8.9	-173.2	-80.9	-24.8	0	0	0	115.7	Y282 K288	Y282-N286 PolarHBondContact O-N 2.84Å; Y282-N286 PolarHBondContact O-ND2 3.39Å; N286-K288 VanDerWaalsContact C-N 3.26Å
287	L	30.9	Very low	38.4	Very low	162 Å²	162	120.9 Å²	120.9	85%	0.848	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	7	164.7	-90.2	153.3	0	0	0	113.8	S285	S285-L287 PolarHBondContact O-N 3.42Å; S285-L287 VanDerWaalsContact O-N 3.11Å
288	K	31.1	Very low	36.1	Very low	189 Å²	189	124.9 Å²	124.9	82%	0.822	69%	0.686	S	S	*	*			trans	-133.9	90.8	175	-67.5	-174	-178.8	178.8	0	112.1	S285 N286 N290	S285-K288 PolarHBondContact O-N 3.3Å; N286-K288 VanDerWaalsContact C-N 3.26Å; K288-N290 PolarHBondContact O-N 3Å
289	S	27.5	Very low	33.8	Very low	119 Å²	119	126.8 Å²	126.8	83%	0.832	70%	0.696	S	S	*	*			trans	-63.2	111.4	159.5	50.6	0	0	0	0	110.6
290	N	26.4	Very low	31.7	Very low	143 Å²	143	128.6 Å²	128.6	77%	0.765	71%	0.707	S	S	*	*				-167.6	127.7	125.3	-136.3	-2.4	0	0	0	110.5	K288	K288-N290 PolarHBondContact O-N 3Å
291	P	29.1	Very low	30.5	Very low	104 Å²	104	132.8 Å²	132.8	68%	0.675	73%	0.728	S	S	*	*			trans	-92.6	117	-175.7	33.8	-26.5	0	0	0	111.3
292	H	28.5	Very low	29.2	Very low	187 Å²	187	135.6 Å²	135.6	87%	0.866	74%	0.737	S	S	*	*			trans	-132.1	113.6	155.1	-86.9	-66	0	0	0	109.7
293	I	23.8	Very low	28.2	Very low	152 Å²	152	134.3 Å²	134.3	78%	0.779	74%	0.741	S	S	*	*			trans	-76.6	127.9	177	-65.8	163.3	0	0	0	109
294	T	28.7	Very low	27.4	Very low	126 Å²	126	137.1 Å²	137.1	77%	0.773	75%	0.752	S	S	*	*			trans	-163	97.1	146	42.3	0	0	0	0	107.2
295	T	22	Very low	26.7	Very low	114 Å²	114	139 Å²	139	70%	0.699	76%	0.761	S	S	*	*				43.6	98.2	98.2	61.9	0	0	0	0	115.8
296	N	28.3	Very low	26.3	Very low	158 Å²	158	144 Å²	144	85%	0.845	78%	0.779	S	S	*	*			trans	176.7	102.3	144	-90.8	-12.8	0	0	0	106.4
297	S	22.1	Very low	26	Very low	85 Å²	85	147.5 Å²	147.5	59%	0.594	79%	0.788	S	S	*	*				56.7	127.8	84.3	-167.1	0	0	0	0	113.8
298	Y	25.6	Very low	25.6	Very low	204 Å²	204	146.5 Å²	146.5	80%	0.8	78%	0.783	S	S	*	*			trans	107.3	120	165.8	-59.7	-73.4	0	0	0	118.5
299	D	27.6	Very low	25.3	Very low	130 Å²	130	143.7 Å²	143.7	70%	0.695	78%	0.782	S	S	*	*			trans	84.5	90	142.8	-56.3	-17.6	0	0	0	120.7	L301	D299-L301 PolarHBondContact O-N 3.27Å
300	V	24.6	Very low	25.2	Very low	130 Å²	130	144.4 Å²	144.4	79%	0.788	77%	0.774	S	S	*	*				7.8	107	122.6	-172.1	0	0	0	0	114.5
301	L	28.7	Very low	25.4	Very low	172 Å²	172	141.6 Å²	141.6	90%	0.901	76%	0.758	S	S	*	*			trans	-123.5	121	159	-81.9	169.7	0	0	0	109.9	D299	D299-L301 PolarHBondContact O-N 3.27Å
302	D	24.7	Very low	25.5	Very low	137 Å²	137	139.1 Å²	139.1	73%	0.733	74%	0.742	S	S	*	*			trans	-62.6	144.3	-178.5	-90.3	-48.6	0	0	0	114.6
303	N	23.3	Very low	25.6	Very low	133 Å²	133	134.7 Å²	134.7	71%	0.711	73%	0.73	S	S	*	*			trans	0.4	134.2	141.6	-66.8	-40.8	0	0	0	119.6
304	N	23.9	Very low	26	Very low	157 Å²	157	137.2 Å²	137.2	84%	0.84	74%	0.735	S	S	*	*			trans	140.8	37.3	133	-75.1	-24.8	0	0	0	117.1	M306	N304-M306 VanDerWaalsContact C-N 3.28Å; N304-M306 PolarHBondContact O-N 2.99Å; N304-M306 VanDerWaalsContact O-N 3.09Å
305	S	22.2	Very low	26.4	Very low	125 Å²	125	134.1 Å²	134.1	87%	0.874	71%	0.713	S	S	*	*			trans	-85	60.1	169.2	61.8	0	0	0	0	113.2
306	M	23.8	Very low	27.2	Very low	168 Å²	168	131.7 Å²	131.7	83%	0.828	70%	0.701	S	S	*	*			trans	-141	93	164.2	-78.5	-162.5	177.1	0	0	109.6	N304	N304-M306 VanDerWaalsContact C-N 3.28Å; N304-M306 PolarHBondContact O-N 2.99Å; N304-M306 VanDerWaalsContact O-N 3.09Å
307	K	23.2	Very low	27.7	Very low	203 Å²	203	127.8 Å²	127.8	88%	0.883	69%	0.691	S	S	*	*			trans	-160.1	131	163.8	-107.5	165.8	-171.8	-173.6	0	110.6
308	L	22.3	Very low	28.3	Very low	140 Å²	140	130.9 Å²	130.9	73%	0.733	70%	0.696	S	S	*	*			trans	70.4	83.8	155.9	-119.1	67.4	0	0	0	118.4
309	T	24.8	Very low	28.9	Very low	131 Å²	131	125 Å²	125	80%	0.804	68%	0.68	S	S	*	*			trans	-88.5	104.2	158.4	40.8	0	0	0	0	110
310	M	26.1	Very low	29.6	Very low	134 Å²	134	121.6 Å²	121.6	66%	0.66	66%	0.664	S	S	*	*			trans	-136.6	53	165.1	-67.2	-62.1	-70.1	0	0	111.3	R714	M310-R714 PolarHBondContact O-NH2 2.92Å; M310-R714 VanDerWaalsContact O-NH2 3.15Å
311	L	29.5	Very low	30.7	Very low	84 Å²	84	119.8 Å²	119.8	44%	0.44	65%	0.654	S	S	.	*	S	Bend	trans	-87.1	156.6	140.4	-130.5	94.8	0	0	0	107.3	P313 E686 R714	L311-P313 VanDerWaalsContact C-N 3.34Å; L311-P313 WeakPolarHBondContact O-CD 3.34Å; L311-E686 WeakPolarHBondContact CD1-O 3.43Å; L311-R714 VanDerWaalsContact CD1-CZ 3.48Å
312	P	31.4	Very low	31.6	Very low	52 Å²	52	114.2 Å²	114.2	34%	0.338	63%	0.632	S	S	.	*			trans	-65.7	95	141.4	-11.1	29.2	0	0	0	106.4	K314 I315	P312-K314 PolarHBondContact O-N 3.34Å; P312-I315 HydrophobicContact CB-CD1 3.4Å; P312-I315 VanDerWaalsContact CB-CD1 3.4Å; P312-I315 HydrophobicContact CB-CG1 3.51Å; P312-I315 HydrophobicContact CG-CD1 4.41Å
313	P	30.5	Very low	32.6	Very low	93 Å²	93	109.3 Å²	109.3	60%	0.604	61%	0.614	S	S	*	*			trans	-56.5	137.3	159.4	29.1	-32.8	0	0	0	104.7	L311 I315	L311-P313 VanDerWaalsContact C-N 3.34Å; L311-P313 WeakPolarHBondContact O-CD 3.34Å; P313-I315 WeakPolarHBondContact O-CA 3.44Å; P313-I315 WeakPolarHBondContact O-CB 3.43Å; P313-I315 WeakPolarHBondContact O-CG1 3.31Å; P313-I315 PolarHBondContact O-N 3.48Å
314	K	32.2	Very low	33.9	Very low	205 Å²	205	105.6 Å²	105.6	89%	0.891	59%	0.592	S	S	*	*	S	Bend	trans	-19.2	88.4	175.4	-83.1	-178.6	173.7	179.3	0	110.5	P312 S316	P312-K314 PolarHBondContact O-N 3.34Å; K314-S316 PolarHBondContact O-N 3.46Å
315	I	38.1	Very low	35.4	Very low	62 Å²	62	105.5 Å²	105.5	32%	0.318	58%	0.584	S	S	.	*			trans	-76.2	115.9	-157.2	-66.1	-173.1	0	0	0	102.1	P312 P313 A317 V319 V320	P312-I315 HydrophobicContact CB-CD1 3.4Å; P312-I315 VanDerWaalsContact CB-CD1 3.4Å; P312-I315 HydrophobicContact CB-CG1 3.51Å; P312-I315 HydrophobicContact CG-CD1 4.41Å; P313-I315 WeakPolarHBondContact O-CA 3.44Å; P313-I315 WeakPolarHBondContact O-CB 3.43Å; P313-I315 WeakPolarHBondContact O-CG1 3.31Å; P313-I315 PolarHBondContact O-N 3.48Å; I315-A317 PolarHBondContact O-N 3.35Å; I315-A317 VanDerWaalsContact O-N 3.17Å; I315-V319 HydrophobicContact CG2-CB 3.34Å; I315-V319 HydrophobicContact CG2-CG1 3.54Å; I315-V320 HydrophobicContact CB-CG2 3.71Å; I315-V320 HydrophobicContact CD1-CG2 4.31Å; I315-V320 HydrophobicContact CG2-CB 4.41Å; I315-V320 HydrophobicContact CG2-CG2 3.46Å; I315-V320 VanDerWaalsContact CG2-CG2 3.46Å
316	S	37.6	Very low	36.8	Very low	62 Å²	62	102.2 Å²	102.2	43%	0.434	57%	0.565	S	S	.	*			trans	-43.8	130.8	167.9	167	0	0	0	0	106.3	K314 E318 V319	K314-S316 PolarHBondContact O-N 3.46Å; S316-E318 CarbonylContact O-C 3.57Å; S316-E318 PolarHBondContact O-N 3.2Å; S316-E318 PolarHBondContact OG-OE2 2.88Å; S316-V319 PolarHBondContact O-N 2.94Å
317	A	39	Very low	38	Very low	77 Å²	77	95.4 Å²	95.4	64%	0.636	53%	0.532	S	S	*	.	H	α-helix	trans	-45.8	-29.7	-177.5	0	0	0	0	0	111.8	I315 V319 V320 V321	I315-A317 PolarHBondContact O-N 3.35Å; I315-A317 VanDerWaalsContact O-N 3.17Å; A317-V319 PolarHBondContact O-N 2.78Å; A317-V320 PolarHBondContact O-N 2.77Å; A317-V321 WeakPolarHBondContact O-CB 3.44Å; A317-V321 WeakPolarHBondContact O-CG2 3.5Å; A317-V321 PolarHBondContact O-N 3.06Å
318	E	36.4	Very low	39.4	Very low	150 Å²	150	86.7 Å²	86.7	70%	0.701	50%	0.497	S	S	*	.	H	α-helix	trans	-55.5	-41.9	172.5	-63.1	178	153.5	0	0	115.9	S316 V321 A322	S316-E318 CarbonylContact O-C 3.57Å; S316-E318 PolarHBondContact O-N 3.2Å; S316-E318 PolarHBondContact OG-OE2 2.88Å; E318-V321 CarbonylContact O-C 3.58Å; E318-V321 WeakPolarHBondContact O-CB 3.4Å; E318-V321 PolarHBondContact O-N 3.05Å; E318-A322 WeakPolarHBondContact O-CB 3.28Å; E318-A322 PolarHBondContact O-N 2.96Å
319	V	37.9	Very low	40.9	Very low	79 Å²	79	83.7 Å²	83.7	48%	0.479	49%	0.487	S	S	.	.	H	α-helix	trans	-79.6	-33.4	-177.9	168.5	0	0	0	0	111.1	I315 S316 A317 V321 A322 G323	I315-V319 HydrophobicContact CG2-CB 3.34Å; I315-V319 HydrophobicContact CG2-CG1 3.54Å; S316-V319 PolarHBondContact O-N 2.94Å; A317-V319 PolarHBondContact O-N 2.78Å; V319-V321 VanDerWaalsContact C-N 3.26Å; V319-V321 PolarHBondContact O-N 3.01Å; V319-A322 PolarHBondContact O-N 3.03Å; V319-G323 PolarHBondContact O-N 2.95Å
320	V	41.8	Very low	42.4	Very low	59 Å²	59	79.4 Å²	79.4	36%	0.358	46%	0.461	S	S	.	.	H	α-helix	trans	-61.5	-41.7	167.7	179.2	0	0	0	0	109.6	I315 A317 G323 H324	I315-V320 HydrophobicContact CB-CG2 3.71Å; I315-V320 HydrophobicContact CD1-CG2 4.31Å; I315-V320 HydrophobicContact CG2-CB 4.41Å; I315-V320 HydrophobicContact CG2-CG2 3.46Å; I315-V320 VanDerWaalsContact CG2-CG2 3.46Å; A317-V320 PolarHBondContact O-N 2.77Å; V320-G323 PolarHBondContact O-N 3.35Å; V320-H324 WeakPolarHBondContact O-CB 3.41Å; V320-H324 PolarHBondContact O-N 2.95Å; V320-H324 PolarHBondContact O-ND1 2.92Å
321	V	48.1	Very low	43.8	Very low	93 Å²	93	73.2 Å²	73.2	56%	0.564	43%	0.431	S	S	*	.	H	α-helix	trans	-63.8	-42.5	174.5	168.6	0	0	0	0	111.2	A317 E318 V319 H324 K325	A317-V321 WeakPolarHBondContact O-CB 3.44Å; A317-V321 WeakPolarHBondContact O-CG2 3.5Å; A317-V321 PolarHBondContact O-N 3.06Å; E318-V321 CarbonylContact O-C 3.58Å; E318-V321 WeakPolarHBondContact O-CB 3.4Å; E318-V321 PolarHBondContact O-N 3.05Å; V319-V321 VanDerWaalsContact C-N 3.26Å; V319-V321 PolarHBondContact O-N 3.01Å; V321-H324 PolarHBondContact O-N 3.47Å; V321-K325 VanDerWaalsContact O-CB 3.27Å; V321-K325 WeakPolarHBondContact O-CB 3.5Å; V321-K325 PolarHBondContact O-N 3.33Å
322	A	47	Very low	45.1	Very low	54 Å²	54	71.8 Å²	71.8	45%	0.446	43%	0.426	S	S	.	.	H	α-helix	trans	-65.5	-41.7	177.8	0	0	0	0	0	112.3	E318 V319 K325 A326	E318-A322 WeakPolarHBondContact O-CB 3.28Å; E318-A322 PolarHBondContact O-N 2.96Å; V319-A322 PolarHBondContact O-N 3.03Å; A322-K325 WeakPolarHBondContact O-CB 3.4Å; A322-K325 PolarHBondContact O-N 3.42Å; A322-A326 PolarHBondContact O-N 3.42Å
323	G	45.8	Very low	45.9	Very low	35 Å²	35	74 Å²	74	36%	0.361	44%	0.435	S	S	.	.	H	α-helix	trans	-61.8	-48.4	173.4	0	0	0	0	0	111.7	V319 V320 K325 A326 L327	V319-G323 PolarHBondContact O-N 2.95Å; V320-G323 PolarHBondContact O-N 3.35Å; G323-K325 VanDerWaalsContact C-N 3.26Å; G323-K325 PolarHBondContact O-N 2.91Å; G323-A326 PolarHBondContact O-N 3.27Å; G323-L327 VanDerWaalsContact O-CG 3.3Å; G323-L327 WeakPolarHBondContact O-CG 3.4Å; G323-L327 PolarHBondContact O-N 3.37Å
324	H	49.7	Very low	46.8	Very low	54 Å²	54	69.7 Å²	69.7	25%	0.25	41%	0.407	C	S	.	.	H	α-helix	trans	-59.4	-37.9	173.1	-76.3	127.2	0	0	0	112.3	V320 V321 L327 S328	V320-H324 WeakPolarHBondContact O-CB 3.41Å; V320-H324 PolarHBondContact O-N 2.95Å; V320-H324 PolarHBondContact O-ND1 2.92Å; V321-H324 PolarHBondContact O-N 3.47Å; H324-L327 PolarHBondContact O-N 2.89Å; H324-S328 WeakPolarHBondContact O-CB 3.47Å; H324-S328 PolarHBondContact O-N 3.36Å
325	K	55.6	Low	47.7	Very low	155 Å²	155	62.6 Å²	62.6	67%	0.674	38%	0.381	S	S	*	.	H	α-helix	trans	-65.1	-42.9	176.7	-170.4	176.8	-178.7	179.9	0	111.7	V321 A322 G323 S328 S329	V321-K325 VanDerWaalsContact O-CB 3.27Å; V321-K325 WeakPolarHBondContact O-CB 3.5Å; V321-K325 PolarHBondContact O-N 3.33Å; A322-K325 WeakPolarHBondContact O-CB 3.4Å; A322-K325 PolarHBondContact O-N 3.42Å; G323-K325 VanDerWaalsContact C-N 3.26Å; G323-K325 PolarHBondContact O-N 2.91Å; K325-S328 WeakPolarHBondContact O-CB 3.48Å; K325-S328 PolarHBondContact O-N 3.31Å; K325-S329 WeakPolarHBondContact O-CB 3.11Å; K325-S329 PolarHBondContact O-N 2.68Å; K325-S329 PolarHBondContact O-OG 2.64Å
326	A	51.4	Low	48.4	Very low	56 Å²	56	64.4 Å²	64.4	46%	0.463	39%	0.391	S	S	.	.	H	α-helix	trans	-68.2	-37.1	176.1	0	0	0	0	0	112.8	A322 G323 S329 T330	A322-A326 PolarHBondContact O-N 3.42Å; G323-A326 PolarHBondContact O-N 3.27Å; A326-S329 WeakPolarHBondContact CA-OG 3.17Å; A326-S329 PolarHBondContact O-OG 3.45Å; A326-T330 VanDerWaalsContact O-CG2 3.32Å; A326-T330 WeakPolarHBondContact O-CG2 3.3Å
327	L	49.2	Very low	49	Very low	26 Å²	26	64.6 Å²	64.6	14%	0.136	39%	0.387	C	S	.	.	H	α-helix	trans	-68	-40.4	172.9	-66.5	175.8	0	0	0	110.9	G323 H324 T330 Q613 R614 A617	G323-L327 VanDerWaalsContact O-CG 3.3Å; G323-L327 WeakPolarHBondContact O-CG 3.4Å; G323-L327 PolarHBondContact O-N 3.37Å; H324-L327 PolarHBondContact O-N 2.89Å; L327-T330 WeakPolarHBondContact O-CB 3.33Å; L327-T330 PolarHBondContact O-N 2.87Å; L327-T330 PolarHBondContact O-OG1 2.61Å; L327-Q613 HydrophobicContact CD1-CG 4.07Å; L327-R614 HydrophobicContact CD2-CG 4.24Å; L327-A617 HydrophobicContact CB-CB 3.64Å; L327-A617 HydrophobicContact CD1-CB 4.28Å
328	S	52.9	Low	49.5	Very low	20 Å²	20	63.5 Å²	63.5	14%	0.14	37%	0.37	C	S	.	.	H	α-helix	trans	-63.3	-41.8	177.1	173.5	0	0	0	0	112.1	H324 K325 T330 L331 K621	H324-S328 WeakPolarHBondContact O-CB 3.47Å; H324-S328 PolarHBondContact O-N 3.36Å; K325-S328 WeakPolarHBondContact O-CB 3.48Å; K325-S328 PolarHBondContact O-N 3.31Å; S328-T330 PolarHBondContact O-N 2.74Å; S328-L331 WeakPolarHBondContact O-CB 3.38Å; S328-L331 PolarHBondContact O-N 3.26Å; S328-L331 VanDerWaalsContact O-N 3.1Å; S328-K621 VanDerWaalsContact OG-CB 3.23Å; S328-K621 WeakPolarHBondContact OG-CB 3.13Å; S328-K621 VanDerWaalsContact OG-CD 3.29Å; S328-K621 WeakPolarHBondContact OG-CD 3.23Å; S328-K621 WeakPolarHBondContact OG-CG 3.45Å
329	S	53.4	Low	49.8	Very low	77 Å²	77	58.8 Å²	58.8	54%	0.538	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-6.2	178.5	64.1	0	0	0	0	114.6	K325 A326 L331	K325-S329 WeakPolarHBondContact O-CB 3.11Å; K325-S329 PolarHBondContact O-N 2.68Å; K325-S329 PolarHBondContact O-OG 2.64Å; A326-S329 WeakPolarHBondContact CA-OG 3.17Å; A326-S329 PolarHBondContact O-OG 3.45Å; S329-L331 CarbonylContact C-O 3.49Å
330	T	57.2	Low	50	Low	41 Å²	41	58.8 Å²	58.8	25%	0.252	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-20.5	174.9	68.5	0	0	0	0	113.3	A326 L327 S328 P332 L533 R614 H618	A326-T330 VanDerWaalsContact O-CG2 3.32Å; A326-T330 WeakPolarHBondContact O-CG2 3.3Å; L327-T330 WeakPolarHBondContact O-CB 3.33Å; L327-T330 PolarHBondContact O-N 2.87Å; L327-T330 PolarHBondContact O-OG1 2.61Å; S328-T330 PolarHBondContact O-N 2.74Å; T330-P332 WeakPolarHBondContact O-CD 3.42Å; T330-L533 WeakPolarHBondContact O-CD1 3.32Å; T330-R614 VanDerWaalsContact CG2-NH1 3.3Å; T330-R614 PolarHBondContact OG1-NH1 3.43Å; T330-R614 PolarHBondContact OG1-NH2 2.94Å; T330-H618 PolarHBondContact OG1-NE2 3.2Å
331	L	55.7	Low	50	Low	4 Å²	4	60.2 Å²	60.2	2%	0.021	36%	0.358	C	S	.	.	S	Bend	trans	-71.1	115.5	154.7	-168.7	65.2	0	0	0	104.1	S328 S329 D333 L533 H536 R537	S328-L331 WeakPolarHBondContact O-CB 3.38Å; S328-L331 PolarHBondContact O-N 3.26Å; S328-L331 VanDerWaalsContact O-N 3.1Å; S329-L331 CarbonylContact C-O 3.49Å; L331-D333 PolarHBondContact O-N 3.15Å; L331-L533 HydrophobicContact CD1-CD1 3.84Å; L331-H536 HydrophobicContact CD1-CB 4.01Å; L331-H536 HydrophobicContact CD2-CB 4.21Å; L331-R537 HydrophobicContact CD1-CB 4.01Å
332	P	55.2	Low	49.9	Very low	53 Å²	53	62.8 Å²	62.8	34%	0.344	37%	0.369	S	S	.	.			trans	-45.9	146.5	178.2	-25.7	33.1	0	0	0	109.3	T330 C334	T330-P332 WeakPolarHBondContact O-CD 3.42Å; P332-C334 PolarHBondContact O-N 2.85Å; P332-C334 PolarHBondContact O-SG 3.12Å
333	D	48.6	Very low	49.5	Very low	99 Å²	99	69 Å²	69	53%	0.529	39%	0.386	S	S	.	.			trans	-52.6	90.1	-177.8	-93.8	-35.5	0	0	0	110.1	L331 V335 D336	L331-D333 PolarHBondContact O-N 3.15Å; D333-V335 PolarHBondContact O-N 3.01Å; D333-V335 VanDerWaalsContact O-N 3.08Å; D333-D336 WeakPolarHBondContact O-CB 3.49Å; D333-D336 PolarHBondContact O-N 3.35Å
334	C	49.5	Very low	48.9	Very low	2 Å²	2	71.4 Å²	71.4	1%	0.014	39%	0.39	C	S	.	.	H	α-helix	trans	-67.4	-13.2	179.7	-67.1	0	0	0	0	109	P332 D336 L337 L338 A540 L625	P332-C334 PolarHBondContact O-N 2.85Å; P332-C334 PolarHBondContact O-SG 3.12Å; C334-D336 VanDerWaalsContact C-N 3.29Å; C334-L337 CarbonylContact O-C 3.54Å; C334-L337 WeakPolarHBondContact O-CB 3.41Å; C334-L337 PolarHBondContact O-N 3.34Å; C334-L337 VanDerWaalsContact O-N 3.13Å; C334-L338 WeakPolarHBondContact O-CB 3.13Å; C334-L338 VanDerWaalsContact O-CG 3.3Å; C334-L338 WeakPolarHBondContact O-CG 3.29Å; C334-L338 PolarHBondContact O-N 2.96Å; C334-A540 HydrophobicContact CB-CB 3.96Å; C334-A540 WeakPolarHBondContact SG-CB 3.5Å; C334-L625 HydrophobicContact CB-CD1 3.52Å
335	V	50.9	Low	48.2	Very low	56 Å²	56	75.3 Å²	75.3	34%	0.339	41%	0.413	S	S	.	.	H	α-helix	trans	-54.3	-45.4	165.1	-176.3	0	0	0	0	110.4	D333 L337 L338 T339 L625	D333-V335 PolarHBondContact O-N 3.01Å; D333-V335 VanDerWaalsContact O-N 3.08Å; V335-L337 PolarHBondContact O-N 3.36Å; V335-L338 PolarHBondContact O-N 2.89Å; V335-T339 HydrophobicContact CG1-CG2 4.08Å; V335-T339 WeakPolarHBondContact O-CB 3.47Å; V335-T339 VanDerWaalsContact O-CG2 3.23Å; V335-T339 WeakPolarHBondContact O-CG2 3.39Å; V335-T339 PolarHBondContact O-N 2.9Å; V335-T339 PolarHBondContact O-OG1 3.4Å; V335-L625 HydrophobicContact CG2-CD2 3.6Å
336	D	53.2	Low	47.5	Very low	100 Å²	100	73 Å²	73	54%	0.535	41%	0.407	S	S	.	.	H	α-helix	trans	-67.8	-27.3	177.8	-68.4	-15.1	0	0	0	111.9	D333 C334 T339	D333-D336 WeakPolarHBondContact O-CB 3.49Å; D333-D336 PolarHBondContact O-N 3.35Å; C334-D336 VanDerWaalsContact C-N 3.29Å; D336-T339 WeakPolarHBondContact CA-OG1 3.45Å; D336-T339 PolarHBondContact O-OG1 3.43Å
337	L	50.2	Low	47	Very low	66 Å²	66	74.9 Å²	74.9	35%	0.346	42%	0.416	S	S	.	.	H	α-helix	trans	-76	-39.9	175.1	-59.9	176.6	0	0	0	111.5	C334 V335 E541 V544	C334-L337 CarbonylContact O-C 3.54Å; C334-L337 WeakPolarHBondContact O-CB 3.41Å; C334-L337 PolarHBondContact O-N 3.34Å; C334-L337 VanDerWaalsContact O-N 3.13Å; V335-L337 PolarHBondContact O-N 3.36Å; L337-E541 HydrophobicContact CD1-CG 4.38Å; L337-V544 VanDerWaalsContact C-CG2 3.41Å; L337-V544 HydrophobicContact CB-CG2 3.86Å; L337-V544 WeakPolarHBondContact O-CG1 3.4Å; L337-V544 WeakPolarHBondContact O-CG2 3.44Å
338	L	49.5	Very low	46.5	Very low	55 Å²	55	78 Å²	78	29%	0.288	45%	0.447	S	S	.	.	H	α-helix	trans	-87.6	-18.2	-176.2	-69.5	166.8	0	0	0	113.6	C334 V335 A543 V544 L625 L626	C334-L338 WeakPolarHBondContact O-CB 3.13Å; C334-L338 VanDerWaalsContact O-CG 3.3Å; C334-L338 WeakPolarHBondContact O-CG 3.29Å; C334-L338 PolarHBondContact O-N 2.96Å; V335-L338 PolarHBondContact O-N 2.89Å; L338-A543 HydrophobicContact CD2-CB 3.92Å; L338-V544 HydrophobicContact CD2-CG2 3.73Å; L338-V544 HydrophobicContact CG-CG2 4.13Å; L338-L625 HydrophobicContact CD1-CB 3.75Å; L338-L625 HydrophobicContact CD1-CD1 4.28Å; L338-L625 HydrophobicContact CD1-CD2 4.5Å; L338-L625 HydrophobicContact CD1-CG 4.41Å; L338-L626 HydrophobicContact CD1-CD2 4.13Å; L338-L626 HydrophobicContact CD2-CD2 4.1Å
339	T	43.5	Very low	45.7	Very low	50 Å²	50	86.2 Å²	86.2	31%	0.307	48%	0.479	S	S	.	.	S	Bend	trans	-63.8	132.3	173.9	39.5	0	0	0	0	109	V335 D336 I341	V335-T339 HydrophobicContact CG1-CG2 4.08Å; V335-T339 WeakPolarHBondContact O-CB 3.47Å; V335-T339 VanDerWaalsContact O-CG2 3.23Å; V335-T339 WeakPolarHBondContact O-CG2 3.39Å; V335-T339 PolarHBondContact O-N 2.9Å; V335-T339 PolarHBondContact O-OG1 3.4Å; D336-T339 WeakPolarHBondContact CA-OG1 3.45Å; D336-T339 PolarHBondContact O-OG1 3.43Å; T339-I341 PolarHBondContact O-N 3.25Å; T339-I341 VanDerWaalsContact O-N 3.14Å
340	P	41.5	Very low	44.8	Very low	80 Å²	80	91.9 Å²	91.9	52%	0.519	49%	0.494	S	S	.	.			trans	-54.5	124.9	173.8	-24.4	33.1	0	0	0	109.4	D342 K343	P340-D342 PolarHBondContact O-N 2.98Å; P340-K343 PolarHBondContact O-N 3.45Å
341	I	42.9	Very low	43.8	Very low	88 Å²	88	94 Å²	94	45%	0.451	50%	0.504	S	S	.	.	G	3₁₀ helix	trans	-51.3	-21	179.4	-69.8	170.3	0	0	0	112.2	T339 K343 L344 L346	T339-I341 PolarHBondContact O-N 3.25Å; T339-I341 VanDerWaalsContact O-N 3.14Å; I341-K343 PolarHBondContact O-N 3.34Å; I341-L344 PolarHBondContact O-N 3.22Å; I341-L346 HydrophobicContact CG2-CD1 4.06Å
342	D	46	Very low	43.2	Very low	147 Å²	147	99.3 Å²	99.3	79%	0.786	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-59.4	-15.6	173.9	-59.8	-32.5	0	0	0	114	P340	P340-D342 PolarHBondContact O-N 2.98Å
343	K	38.3	Very low	42.4	Very low	186 Å²	186	105.1 Å²	105.1	81%	0.809	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-104.8	-3.8	174.2	-71	-170	177.9	-177.2	0	114.9	P340 I341	P340-K343 PolarHBondContact O-N 3.45Å; I341-K343 PolarHBondContact O-N 3.34Å
344	L	33.5	Very low	41.7	Very low	85 Å²	85	106.4 Å²	106.4	45%	0.445	57%	0.566	S	S	.	*	S	Bend	trans	-90.9	111.1	175.5	-142.8	76	0	0	0	108.1	I341 L346	I341-L344 PolarHBondContact O-N 3.22Å; L344-L346 HydrophobicContact CB-CG 4.4Å; L344-L346 HydrophobicContact CD2-CD1 4.42Å; L344-L346 HydrophobicContact CD2-CD2 4.4Å; L344-L346 HydrophobicContact CD2-CG 4.3Å; L344-L346 PolarHBondContact O-N 3.09Å
345	D	34.1	Very low	41.1	Very low	136 Å²	136	113.2 Å²	113.2	73%	0.727	60%	0.603	S	S	*	*			trans	-67.1	76.7	178.9	-168.7	0.3	0	0	0	110.6	S347	D345-S347 PolarHBondContact O-N 2.84Å; D345-S347 VanDerWaalsContact OD1-CB 3.29Å; D345-S347 WeakPolarHBondContact OD1-CB 3.39Å; D345-S347 PolarHBondContact OD1-OG 3.39Å
346	L	40.3	Very low	40.4	Very low	106 Å²	106	115.8 Å²	115.8	56%	0.555	62%	0.62	S	S	*	*			trans	-84.1	18.6	178.2	-74.8	167.8	0	0	0	112.2	I341 L344 A348 K349	I341-L346 HydrophobicContact CG2-CD1 4.06Å; L344-L346 HydrophobicContact CB-CG 4.4Å; L344-L346 HydrophobicContact CD2-CD1 4.42Å; L344-L346 HydrophobicContact CD2-CD2 4.4Å; L344-L346 HydrophobicContact CD2-CG 4.3Å; L344-L346 PolarHBondContact O-N 3.09Å; L346-A348 PolarHBondContact O-N 2.83Å; L346-K349 PolarHBondContact O-N 3.47Å
347	S	40.6	Very low	39.5	Very low	95 Å²	95	119.6 Å²	119.6	66%	0.664	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	-8.9	-179.5	63.2	0	0	0	0	114.1	D345	D345-S347 PolarHBondContact O-N 2.84Å; D345-S347 VanDerWaalsContact OD1-CB 3.29Å; D345-S347 WeakPolarHBondContact OD1-CB 3.39Å; D345-S347 PolarHBondContact OD1-OG 3.39Å
348	A	39.8	Very low	38.4	Very low	93 Å²	93	124.9 Å²	124.9	77%	0.769	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	-0.5	-176.7	0	0	0	0	0	117.1	L346	L346-A348 PolarHBondContact O-N 2.83Å
349	K	35.3	Very low	37.4	Very low	191 Å²	191	128.5 Å²	128.5	83%	0.83	68%	0.682	S	S	*	*			trans	-123.7	76.7	177	-81.7	-178.3	178.7	172.9	0	112.6	L346 N351	L346-K349 PolarHBondContact O-N 3.47Å; K349-N351 PolarHBondContact O-N 3.2Å
350	K	35.6	Very low	36.7	Very low	196 Å²	196	133.7 Å²	133.7	85%	0.852	71%	0.706	S	S	*	*			trans	-66.7	117.3	160.7	-73.4	-177	177.3	179.7	0	108.6	P352	K350-P352 WeakPolarHBondContact O-CD 3.31Å
351	N	36.9	Very low	36	Very low	85 Å²	85	139 Å²	139	46%	0.455	72%	0.721	S	S	.	*			trans	-61.5	120.1	170.7	178.4	13.4	0	0	0	108.7	K349 F353 D354	K349-N351 PolarHBondContact O-N 3.2Å; N351-F353 PolarHBondContact O-N 3.48Å; N351-F353 VanDerWaalsContact O-N 3.08Å; N351-F353 WeakPolarHBondContact OD1-CD2 3.36Å; N351-F353 PolarHBondContact OD1-N 3.23Å; N351-D354 PolarHBondContact O-N 2.94Å
352	P	43.1	Very low	35.2	Very low	117 Å²	117	139.7 Å²	139.7	76%	0.76	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	1.2	-179.7	28.1	-33.7	0	0	0	114	K350	K350-P352 WeakPolarHBondContact O-CD 3.31Å
353	F	37	Very low	34.3	Very low	175 Å²	175	138.4 Å²	138.4	77%	0.768	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.6	5.3	176.8	-60.3	-73.8	0	0	0	114.6	N351 D355	N351-F353 PolarHBondContact O-N 3.48Å; N351-F353 VanDerWaalsContact O-N 3.08Å; N351-F353 WeakPolarHBondContact OD1-CD2 3.36Å; N351-F353 PolarHBondContact OD1-N 3.23Å; F353-D355 PolarHBondContact O-N 3.21Å
354	D	33.7	Very low	33.7	Very low	125 Å²	125	136.3 Å²	136.3	67%	0.668	74%	0.736	S	S	*	*			trans	-79.5	80.3	168.5	-83.7	-16.4	0	0	0	109.1	N351	N351-D354 PolarHBondContact O-N 2.94Å
355	D	37	Very low	33.5	Very low	146 Å²	146	136.9 Å²	136.9	78%	0.781	75%	0.754	S	S	*	*			trans	-63.5	129.8	158.9	-104.7	-34.6	0	0	0	108	F353 H357	F353-D355 PolarHBondContact O-N 3.21Å; D355-H357 PolarHBondContact O-N 3.27Å
356	P	37.6	Very low	33.2	Very low	110 Å²	110	140 Å²	140	71%	0.714	76%	0.761	S	S	*	*			trans	-60.1	114.2	178.9	23.8	-30.9	0	0	0	108.1	E358	P356-E358 PolarHBondContact O-N 3.5Å
357	H	32.6	Very low	32.5	Very low	180 Å²	180	142.4 Å²	142.4	83%	0.833	78%	0.779	S	S	*	*			trans	-37.4	101.4	177.7	-78.4	-75.4	0	0	0	111.1	D355 T359	D355-H357 PolarHBondContact O-N 3.27Å; H357-T359 PolarHBondContact O-N 3.15Å
358	E	28.7	Very low	31.8	Very low	176 Å²	176	140.6 Å²	140.6	82%	0.822	78%	0.776	S	S	*	*			trans	-54.8	118	167.2	-92.1	-168.9	150.7	0	0	106.6	P356 I360	P356-E358 PolarHBondContact O-N 3.5Å; E358-I360 VanDerWaalsContact C-N 3.28Å; E358-I360 PolarHBondContact O-N 2.95Å
359	T	28.7	Very low	31.4	Very low	131 Å²	131	140.4 Å²	140.4	80%	0.804	77%	0.769	S	S	*	*			trans	-64.7	94.3	178.4	-26.3	0	0	0	0	106.4	H357 K361	H357-T359 PolarHBondContact O-N 3.15Å; T359-K361 VanDerWaalsContact C-N 3.3Å; T359-K361 PolarHBondContact O-N 3.18Å
360	I	28	Very low	31.2	Very low	159 Å²	159	141.1 Å²	141.1	82%	0.815	78%	0.775	S	S	*	*			trans	-62.1	99.3	174.2	-61.6	175.7	0	0	0	106.2	E358 S362	E358-I360 VanDerWaalsContact C-N 3.28Å; E358-I360 PolarHBondContact O-N 2.95Å; I360-S362 PolarHBondContact O-N 3Å
361	K	27	Very low	31.5	Very low	193 Å²	193	140 Å²	140	84%	0.839	77%	0.77	S	S	*	*			trans	-61.5	104.4	168.4	-70.7	177.8	179.5	175.3	0	106.5	T359	T359-K361 VanDerWaalsContact C-N 3.3Å; T359-K361 PolarHBondContact O-N 3.18Å
362	S	26.4	Very low	32.3	Very low	101 Å²	101	137.2 Å²	137.2	71%	0.706	76%	0.757	S	S	*	*			trans	-57.9	130.8	171.5	45	0	0	0	0	108.9	I360 T364	I360-S362 PolarHBondContact O-N 3Å; S362-T364 PolarHBondContact O-N 3.3Å
363	P	27.1	Very low	33.4	Very low	121 Å²	121	140.1 Å²	140.1	79%	0.786	75%	0.753	S	S	*	*			trans	-68.5	130.3	-178.4	26.8	-32.3	0	0	0	109.5	A365	P363-A365 VanDerWaalsContact C-N 3.32Å; P363-A365 PolarHBondContact O-N 3.49Å
364	T	24.8	Very low	34.9	Very low	141 Å²	141	133 Å²	133	87%	0.865	72%	0.722	S	S	*	*			trans	-60.9	90.8	169.9	38.8	0	0	0	0	109.6	S362 K366	S362-T364 PolarHBondContact O-N 3.3Å; T364-K366 PolarHBondContact O-N 2.79Å
365	A	29.9	Very low	36.9	Very low	98 Å²	98	129.6 Å²	129.6	81%	0.81	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-68.8	122	172.6	0	0	0	0	0	109.2	P363	P363-A365 VanDerWaalsContact C-N 3.32Å; P363-A365 PolarHBondContact O-N 3.49Å
366	K	27.4	Very low	39.2	Very low	202 Å²	202	127.2 Å²	127.2	88%	0.878	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-58.7	132.6	-176.3	-71.7	175.1	174.8	177.3	0	111.8	T364 G368	T364-K366 PolarHBondContact O-N 2.79Å; K366-G368 PolarHBondContact O-N 2.71Å
367	V	25.2	Very low	41.4	Very low	155 Å²	155	122 Å²	122	94%	0.939	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-47	118.4	166.7	177.9	0	0	0	0	110.3
368	G	26.2	Very low	43.9	Very low	58 Å²	58	116.3 Å²	116.3	60%	0.598	62%	0.621	S	S	*	*			trans	-149.6	105.1	176.6	0	0	0	0	0	111.1	K366	K366-G368 PolarHBondContact O-N 2.71Å
369	S	31.3	Very low	46.6	Very low	89 Å²	89	112.4 Å²	112.4	62%	0.622	61%	0.606	S	S	*	*			trans	53.9	104.3	158.6	68.6	0	0	0	0	119	K371	S369-K371 VanDerWaalsContact C-N 3.3Å; S369-K371 PolarHBondContact O-N 2.86Å
370	H	31.3	Very low	49.5	Very low	206 Å²	206	106.2 Å²	106.2	95%	0.954	57%	0.568	S	S	*	*			trans	29.3	43.6	135.5	-58.5	-76.1	0	0	0	119.7
371	K	42	Very low	52.3	Low	172 Å²	172	98.8 Å²	98.8	75%	0.748	53%	0.53	S	S	*	.			trans	-84.1	129.9	169.5	-75.6	178	177.8	-173.9	0	108.4	S369	S369-K371 VanDerWaalsContact C-N 3.3Å; S369-K371 PolarHBondContact O-N 2.86Å
372	S	53.2	Low	55.2	Low	27 Å²	27	95.8 Å²	95.8	19%	0.189	52%	0.519	C	S	.	.			trans	-52.1	143.5	179.4	68.3	0	0	0	0	110.6	H374 N375 D440	S372-H374 PolarHBondContact O-N 3.47Å; S372-N375 PolarHBondContact O-N 3.03Å; S372-N375 PolarHBondContact OG-ND2 3.31Å; S372-N375 VanDerWaalsContact OG-ND2 3.16Å; S372-N375 PolarHBondContact OG-OD1 2.96Å; S372-D440 PolarHBondContact OG-OD1 2.68Å
373	R	66.2	Low	58.3	Low	177 Å²	177	94.1 Å²	94.1	67%	0.668	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-24.3	-173.3	-171.4	172.6	71.4	171.6	2.9	113.1
374	H	69.7	Low	61.1	Low	27 Å²	27	88.4 Å²	88.4	13%	0.125	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	6.1	-174.2	-56.7	-70.1	0	0	0	114.4	S372 W376 L377 I410 W447	S372-H374 PolarHBondContact O-N 3.47Å; H374-W376 VanDerWaalsContact C-N 3.31Å; H374-W376 PolarHBondContact O-N 3.47Å; H374-L377 VanDerWaalsContact O-CB 3.29Å; H374-L377 WeakPolarHBondContact O-CB 3.41Å; H374-L377 PolarHBondContact O-N 3.37Å; H374-I410 HydrophobicContact CB-CD1 4.25Å; H374-W447 HydrophobicContact CB-CH2 3.9Å
375	N	73.9	Confident	64.1	Low	52 Å²	52	84.4 Å²	84.4	28%	0.278	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-33.8	-178.2	-96.9	-19.3	0	0	0	113.9	S372 L377 W378	S372-N375 PolarHBondContact O-N 3.03Å; S372-N375 PolarHBondContact OG-ND2 3.31Å; S372-N375 VanDerWaalsContact OG-ND2 3.16Å; S372-N375 PolarHBondContact OG-OD1 2.96Å; N375-L377 PolarHBondContact O-N 2.89Å; N375-L377 VanDerWaalsContact O-N 3.15Å; N375-W378 PolarHBondContact O-N 3.5Å
376	W	86.3	Confident	67	Low	96 Å²	96	83.1 Å²	83.1	36%	0.364	42%	0.42	S	S	.	.	H	α-helix	trans	-59.6	-26.3	178.9	71.5	-87.4	0	0	0	112.8	H374 W378 D379 V380 K402 A403	H374-W376 VanDerWaalsContact C-N 3.31Å; H374-W376 PolarHBondContact O-N 3.47Å; W376-W378 PolarHBondContact O-N 3.41Å; W376-D379 PolarHBondContact O-N 3.15Å; W376-D379 VanDerWaalsContact O-N 3.14Å; W376-V380 HydrophobicContact CE3-CG2 3.39Å; W376-V380 HydrophobicContact CH2-CG2 4.38Å; W376-V380 HydrophobicContact CZ3-CG2 3.29Å; W376-V380 WeakPolarHBondContact O-CG2 3.38Å; W376-V380 PolarHBondContact O-N 3.28Å; W376-K402 HydrophobicContact CH2-CB 4.02Å; W376-A403 HydrophobicContact CH2-CB 4.45Å
377	L	84.6	Confident	69.8	Low	0 Å²	0	73.5 Å²	73.5	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-64.9	-24.2	-177.5	-167	58.9	0	0	0	112.5	H374 N375 V380 A403 L407 I410 W447 L450 I454	H374-L377 VanDerWaalsContact O-CB 3.29Å; H374-L377 WeakPolarHBondContact O-CB 3.41Å; H374-L377 PolarHBondContact O-N 3.37Å; N375-L377 PolarHBondContact O-N 2.89Å; N375-L377 VanDerWaalsContact O-N 3.15Å; L377-V380 HydrophobicContact CD1-CG2 4.24Å; L377-V380 WeakPolarHBondContact O-CB 3Å; L377-A403 HydrophobicContact CD1-CB 3.52Å; L377-L407 HydrophobicContact CD1-CG 4.49Å; L377-L407 HydrophobicContact CD2-CD2 3.64Å; L377-L407 HydrophobicContact CD2-CG 3.73Å; L377-I410 HydrophobicContact CD2-CD1 4.16Å; L377-W447 HydrophobicContact CD2-CE3 4.24Å; L377-W447 HydrophobicContact CD2-CH2 4.5Å; L377-W447 HydrophobicContact CD2-CZ3 3.58Å; L377-W447 HydrophobicContact CG-CZ3 4.49Å; L377-L450 HydrophobicContact CB-CD2 4.35Å; L377-L450 HydrophobicContact CD2-CD2 4.04Å; L377-L450 HydrophobicContact CG-CD2 3.74Å; L377-I454 HydrophobicContact CD1-CD1 4.1Å
378	W	83.6	Confident	72.7	Confident	61 Å²	61	67.1 Å²	67.1	23%	0.231	34%	0.339	C	S	.	.	H	α-helix	trans	-78.3	-26.4	177.2	-60.5	99.5	0	0	0	113.1	N375 W376 P381 D446 W447 L450	N375-W378 PolarHBondContact O-N 3.5Å; W376-W378 PolarHBondContact O-N 3.41Å; W378-P381 WeakPolarHBondContact O-CD 3.39Å; W378-D446 HydrophobicContact CH2-CB 4.15Å; W378-W447 HydrophobicContact CH2-CE3 4.32Å; W378-W447 HydrophobicContact CZ2-CD2 4.2Å; W378-W447 AromaticContact CZ2-CE3 3.85Å; W378-W447 HydrophobicContact CZ2-CE3 3.85Å; W378-W447 AromaticContact CZ2-CH2 3.9Å; W378-W447 HydrophobicContact CZ2-CH2 3.9Å; W378-W447 HydrophobicContact CZ2-CZ2 4.26Å; W378-W447 AromaticContact CZ2-CZ3 3.67Å; W378-W447 HydrophobicContact CZ2-CZ3 3.67Å; W378-W447 AromaticContact NE1-CH2 3.89Å; W378-L450 HydrophobicContact CD2-CD2 3.83Å; W378-L450 HydrophobicContact CE3-CB 4.39Å; W378-L450 HydrophobicContact CE3-CD1 3.95Å; W378-L450 HydrophobicContact CE3-CD2 3.68Å; W378-L450 HydrophobicContact CE3-CG 4.22Å; W378-L450 HydrophobicContact CH2-CB 4.08Å; W378-L450 HydrophobicContact CH2-CD2 3.87Å; W378-L450 HydrophobicContact CZ2-CD2 4Å; W378-L450 HydrophobicContact CZ3-CB 3.77Å; W378-L450 HydrophobicContact CZ3-CD1 4.18Å; W378-L450 HydrophobicContact CZ3-CD2 3.72Å; W378-L450 HydrophobicContact CZ3-CG 4.1Å
379	D	86.9	Confident	75.6	Confident	95 Å²	95	69.1 Å²	69.1	51%	0.508	34%	0.344	S	S	.	.	H	α-helix	trans	-82.1	-19.4	176.1	-56.4	-34.5	0	0	0	111.1	W376 E382 D383	W376-D379 PolarHBondContact O-N 3.15Å; W376-D379 VanDerWaalsContact O-N 3.14Å; D379-E382 PolarHBondContact O-N 3.49Å; D379-D383 PolarHBondContact O-N 3.02Å
380	V	88.8	Confident	78.3	Confident	1 Å²	1	70.4 Å²	70.4	1%	0.006	34%	0.34	C	S	.	.	H	α-helix	trans	-53	-47.1	-177.5	172.1	0	0	0	0	113.9	W376 L377 E382 D383 L384 A403 I454	W376-V380 HydrophobicContact CE3-CG2 3.39Å; W376-V380 HydrophobicContact CH2-CG2 4.38Å; W376-V380 HydrophobicContact CZ3-CG2 3.29Å; W376-V380 WeakPolarHBondContact O-CG2 3.38Å; W376-V380 PolarHBondContact O-N 3.28Å; L377-V380 HydrophobicContact CD1-CG2 4.24Å; L377-V380 WeakPolarHBondContact O-CB 3Å; V380-E382 VanDerWaalsContact C-N 3.29Å; V380-E382 PolarHBondContact O-N 3.38Å; V380-D383 PolarHBondContact O-N 3.42Å; V380-L384 WeakPolarHBondContact O-CB 3.35Å; V380-L384 PolarHBondContact O-N 2.96Å; V380-A403 HydrophobicContact CG1-CB 4.01Å; V380-A403 HydrophobicContact CG2-CB 4.49Å; V380-I454 HydrophobicContact CG1-CG1 4.47Å
381	P	86.9	Confident	80.9	Confident	3 Å²	3	67.5 Å²	67.5	2%	0.019	32%	0.321	C	S	.	.	H	α-helix	trans	-58.9	-38.3	-179.2	-26.3	36.6	0	0	0	113.6	W378 D385 L450 R453 I454	W378-P381 WeakPolarHBondContact O-CD 3.39Å; P381-D385 PolarHBondContact O-N 2.79Å; P381-D385 VanDerWaalsContact O-N 3.09Å; P381-L450 HydrophobicContact CG-CD1 3.79Å; P381-R453 HydrophobicContact CB-CG 3.97Å; P381-R453 HydrophobicContact CG-CG 4.18Å; P381-I454 HydrophobicContact CG-CG1 4.4Å
382	E	87.8	Confident	83.1	Confident	130 Å²	130	62.6 Å²	62.6	61%	0.607	30%	0.303	S	S	*	.	H	α-helix	trans	-74	-46.2	179.2	-63.1	-176.9	-178.1	0	0	110.9	D379 V380 L384 D385 V386	D379-E382 PolarHBondContact O-N 3.49Å; V380-E382 VanDerWaalsContact C-N 3.29Å; V380-E382 PolarHBondContact O-N 3.38Å; E382-L384 PolarHBondContact O-N 3.42Å; E382-D385 PolarHBondContact O-N 3.41Å; E382-V386 WeakPolarHBondContact O-CG2 3.33Å; E382-V386 PolarHBondContact O-N 3.41Å
383	D	90.3	Very high	85	Confident	66 Å²	66	62.8 Å²	62.8	35%	0.353	30%	0.3	S	S	.	.	H	α-helix	trans	-57.8	-34.2	174.2	-88.7	-7.2	0	0	0	112.4	D379 V380 A387 L399	D379-D383 PolarHBondContact O-N 3.02Å; V380-D383 PolarHBondContact O-N 3.42Å; D383-A387 WeakPolarHBondContact O-CB 3.35Å; D383-A387 PolarHBondContact O-N 2.96Å; D383-L399 HydrophobicContact CB-CD1 4.19Å
384	L	87.7	Confident	86.2	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-74.5	-42	179.3	-177.1	54.8	0	0	0	111.8	V380 E382 V386 A387 I388 A396 I400 N457	V380-L384 WeakPolarHBondContact O-CB 3.35Å; V380-L384 PolarHBondContact O-N 2.96Å; E382-L384 PolarHBondContact O-N 3.42Å; L384-V386 VanDerWaalsContact C-N 3.29Å; L384-V386 PolarHBondContact O-N 3.12Å; L384-A387 PolarHBondContact O-N 2.88Å; L384-I388 HydrophobicContact CD1-CD1 4.09Å; L384-I388 HydrophobicContact CD1-CG1 4.24Å; L384-I388 HydrophobicContact CG-CD1 3.99Å; L384-I388 WeakPolarHBondContact O-CB 3.38Å; L384-I388 WeakPolarHBondContact O-CG1 3.39Å; L384-I388 PolarHBondContact O-N 3.49Å; L384-A396 HydrophobicContact CD1-CB 3.48Å; L384-A396 VanDerWaalsContact CD1-CB 3.48Å; L384-I400 HydrophobicContact CD1-CD1 3.89Å; L384-I400 HydrophobicContact CD1-CG1 3.92Å; L384-I400 HydrophobicContact CD2-CD1 3.76Å; L384-I400 HydrophobicContact CD2-CG1 3.39Å; L384-I400 HydrophobicContact CG-CD1 4.43Å; L384-I400 HydrophobicContact CG-CG1 4.33Å; L384-N457 HydrophobicContact CD2-CB 3.16Å; L384-N457 HydrophobicContact CG-CB 3.8Å
385	D	87.5	Confident	87.2	Confident	58 Å²	58	61.9 Å²	61.9	31%	0.31	30%	0.299	S	S	.	.	H	α-helix	trans	-62.1	-38.7	173.5	-74.8	-26.7	0	0	0	111.2	P381 E382 S389 N457	P381-D385 PolarHBondContact O-N 2.79Å; P381-D385 VanDerWaalsContact O-N 3.09Å; E382-D385 PolarHBondContact O-N 3.41Å; D385-S389 WeakPolarHBondContact O-CB 3.47Å; D385-S389 PolarHBondContact O-N 3.4Å; D385-S389 PolarHBondContact O-OG 3.04Å; D385-N457 PolarHBondContact OD1-ND2 2.97Å
386	V	90	Very high	88.1	Confident	70 Å²	70	59.4 Å²	59.4	42%	0.424	29%	0.286	S	S	.	.	H	α-helix	trans	-63.1	-49.7	171.8	174.4	0	0	0	0	110.9	E382 L384 I388 S389 E390	E382-V386 WeakPolarHBondContact O-CG2 3.33Å; E382-V386 PolarHBondContact O-N 3.41Å; L384-V386 VanDerWaalsContact C-N 3.29Å; L384-V386 PolarHBondContact O-N 3.12Å; V386-I388 VanDerWaalsContact C-N 3.33Å; V386-I388 PolarHBondContact O-N 3.1Å; V386-S389 WeakPolarHBondContact O-CB 3.3Å; V386-S389 PolarHBondContact O-N 2.78Å; V386-S389 VanDerWaalsContact O-N 3.12Å; V386-E390 HydrophobicContact CG1-CG 4.29Å; V386-E390 WeakPolarHBondContact O-CG 3.39Å; V386-E390 PolarHBondContact O-N 3.14Å
387	A	87.6	Confident	88.4	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.3	-36.7	-178.6	0	0	0	0	0	113.2	D383 L384 R391 N392 R395 A396	D383-A387 WeakPolarHBondContact O-CB 3.35Å; D383-A387 PolarHBondContact O-N 2.96Å; L384-A387 PolarHBondContact O-N 2.88Å; A387-R391 PolarHBondContact O-N 2.93Å; A387-N392 PolarHBondContact O-N 3.39Å; A387-R395 HydrophobicContact CB-CG 4.4Å; A387-A396 HydrophobicContact CB-CB 4Å
388	I	85.7	Confident	88.8	Confident	22 Å²	22	58.1 Å²	58.1	11%	0.113	29%	0.286	C	S	.	.	H	α-helix	trans	-66.3	-43.3	173.8	-67.6	164.9	0	0	0	110	L384 V386 E390 R391 A396 N460 L461	L384-I388 HydrophobicContact CD1-CD1 4.09Å; L384-I388 HydrophobicContact CD1-CG1 4.24Å; L384-I388 HydrophobicContact CG-CD1 3.99Å; L384-I388 WeakPolarHBondContact O-CB 3.38Å; L384-I388 WeakPolarHBondContact O-CG1 3.39Å; L384-I388 PolarHBondContact O-N 3.49Å; V386-I388 VanDerWaalsContact C-N 3.33Å; V386-I388 PolarHBondContact O-N 3.1Å; I388-E390 VanDerWaalsContact C-N 3.35Å; I388-E390 PolarHBondContact O-N 3.02Å; I388-R391 PolarHBondContact O-N 2.86Å; I388-A396 HydrophobicContact CG1-CB 4.27Å; I388-N460 HydrophobicContact CD1-CB 4.46Å; I388-L461 HydrophobicContact CD1-CB 3.98Å; I388-L461 HydrophobicContact CG1-CB 4.26Å; I388-L461 HydrophobicContact CG1-CD1 4.08Å
389	S	86.6	Confident	89.1	Confident	100 Å²	100	56.7 Å²	56.7	70%	0.699	28%	0.283	S	S	*	.	H	α-helix	trans	-64	-38.4	178.1	-58.9	0	0	0	0	112.4	D385 V386 R391	D385-S389 WeakPolarHBondContact O-CB 3.47Å; D385-S389 PolarHBondContact O-N 3.4Å; D385-S389 PolarHBondContact O-OG 3.04Å; V386-S389 WeakPolarHBondContact O-CB 3.3Å; V386-S389 PolarHBondContact O-N 2.78Å; V386-S389 VanDerWaalsContact O-N 3.12Å; S389-R391 PolarHBondContact O-N 2.74Å
390	E	88.4	Confident	89.3	Confident	116 Å²	116	52.2 Å²	52.2	54%	0.542	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-4.7	173.5	-69.9	178.8	166.1	0	0	113.4	V386 I388 N392	V386-E390 HydrophobicContact CG1-CG 4.29Å; V386-E390 WeakPolarHBondContact O-CG 3.39Å; V386-E390 PolarHBondContact O-N 3.14Å; I388-E390 VanDerWaalsContact C-N 3.35Å; I388-E390 PolarHBondContact O-N 3.02Å; E390-N392 HydrophobicContact CB-CB 4.45Å; E390-N392 PolarHBondContact O-N 3.05Å
391	R	84.9	Confident	89.4	Confident	145 Å²	145	53.9 Å²	53.9	55%	0.547	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	24.1	-170.3	-63.7	-172.6	165.6	165	-4.3	113.9	A387 I388 S389 F393 E468	A387-R391 PolarHBondContact O-N 2.93Å; I388-R391 PolarHBondContact O-N 2.86Å; S389-R391 PolarHBondContact O-N 2.74Å; R391-F393 HydrophobicContact CB-CE1 4.49Å; R391-F393 HydrophobicContact CB-CE2 4.04Å; R391-F393 HydrophobicContact CB-CZ 3.91Å; R391-F393 HydrophobicContact CG-CE2 4.48Å; R391-F393 HydrophobicContact CG-CZ 3.97Å; R391-F393 WeakPolarHBondContact O-CD2 3.37Å; R391-F393 PolarHBondContact O-N 2.95Å; R391-E468 IonicContact CZ-OE1 2.69Å; R391-E468 IonicContact NE-OE1 3.71Å; R391-E468 IonicContact NH2-OE1 3.11Å
392	N	89.7	Confident	89.5	Confident	69 Å²	69	59.8 Å²	59.8	37%	0.369	29%	0.294	S	S	.	.			trans	-84.8	70.9	172.8	-167.8	-19.7	0	0	0	109.9	A387 E390 Q394 R395 A396	A387-N392 PolarHBondContact O-N 3.39Å; E390-N392 HydrophobicContact CB-CB 4.45Å; E390-N392 PolarHBondContact O-N 3.05Å; N392-Q394 PolarHBondContact O-N 2.88Å; N392-R395 HydrophobicContact CB-CB 4.33Å; N392-R395 PolarHBondContact O-N 2.75Å; N392-R395 WeakPolarHBondContact OD1-CB 3.47Å; N392-R395 PolarHBondContact OD1-N 2.73Å; N392-A396 PolarHBondContact O-N 3Å; N392-A396 VanDerWaalsContact O-N 3.09Å
393	F	91.7	Very high	89.6	Confident	30 Å²	30	53.6 Å²	53.6	13%	0.132	27%	0.265	C	S	.	.	H	α-helix	trans	-64.4	-27.1	-174.6	-54.7	-56.3	0	0	0	113.3	R391 T397 L461 L465 E468 Q488	R391-F393 HydrophobicContact CB-CE1 4.49Å; R391-F393 HydrophobicContact CB-CE2 4.04Å; R391-F393 HydrophobicContact CB-CZ 3.91Å; R391-F393 HydrophobicContact CG-CE2 4.48Å; R391-F393 HydrophobicContact CG-CZ 3.97Å; R391-F393 WeakPolarHBondContact O-CD2 3.37Å; R391-F393 PolarHBondContact O-N 2.95Å; F393-T397 VanDerWaalsContact O-CB 3.31Å; F393-T397 WeakPolarHBondContact O-CB 3.47Å; F393-T397 PolarHBondContact O-N 3.41Å; F393-T397 PolarHBondContact O-OG1 2.88Å; F393-L461 HydrophobicContact CB-CD1 4.29Å; F393-L461 HydrophobicContact CD1-CD1 3.51Å; F393-L461 HydrophobicContact CE1-CD1 4.32Å; F393-L461 HydrophobicContact CG-CD1 4.32Å; F393-L465 HydrophobicContact CB-CD2 3.87Å; F393-L465 HydrophobicContact CD1-CD2 4.27Å; F393-L465 HydrophobicContact CD2-CD2 3.97Å; F393-L465 HydrophobicContact CG-CD2 3.76Å; F393-L465 HydrophobicContact CG-CG 4.47Å; F393-E468 HydrophobicContact CE2-CG 3.67Å; F393-E468 HydrophobicContact CZ-CG 3.8Å; F393-Q488 HydrophobicContact CB-CG 4.47Å
394	Q	91.8	Very high	89.6	Confident	87 Å²	87	54 Å²	54	41%	0.407	26%	0.264	S	S	.	.	H	α-helix	trans	-64.9	-47.9	175.1	-178.2	65.3	63	0	0	111.3	N392 T397 N398	N392-Q394 PolarHBondContact O-N 2.88Å; Q394-T397 PolarHBondContact O-N 2.62Å; Q394-N398 PolarHBondContact NE2-ND2 3.48Å; Q394-N398 PolarHBondContact NE2-OD1 2.99Å; Q394-N398 VanDerWaalsContact NE2-OD1 3.09Å; Q394-N398 WeakPolarHBondContact O-CB 3.28Å; Q394-N398 VanDerWaalsContact O-CG 3.24Å; Q394-N398 PolarHBondContact O-N 2.63Å; Q394-N398 PolarHBondContact O-ND2 2.78Å
395	R	91.2	Very high	89.5	Confident	98 Å²	98	59.2 Å²	59.2	37%	0.37	29%	0.289	S	S	.	.	H	α-helix	trans	-61.9	-46.8	176	-178.5	-178.3	173.6	-167.5	-3.7	110.6	A387 N392 T397 N398 L399	A387-R395 HydrophobicContact CB-CG 4.4Å; N392-R395 HydrophobicContact CB-CB 4.33Å; N392-R395 PolarHBondContact O-N 2.75Å; N392-R395 WeakPolarHBondContact OD1-CB 3.47Å; N392-R395 PolarHBondContact OD1-N 2.73Å; R395-T397 PolarHBondContact O-N 2.89Å; R395-N398 PolarHBondContact O-N 3.34Å; R395-L399 HydrophobicContact CG-CD1 4.12Å; R395-L399 WeakPolarHBondContact O-CG 3.49Å; R395-L399 PolarHBondContact O-N 2.92Å
396	A	92.6	Very high	89.5	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-56.8	-48	178.8	0	0	0	0	0	112.2	L384 A387 I388 N392 L399 I400 L461	L384-A396 HydrophobicContact CD1-CB 3.48Å; L384-A396 VanDerWaalsContact CD1-CB 3.48Å; A387-A396 HydrophobicContact CB-CB 4Å; I388-A396 HydrophobicContact CG1-CB 4.27Å; N392-A396 PolarHBondContact O-N 3Å; N392-A396 VanDerWaalsContact O-N 3.09Å; A396-L399 PolarHBondContact O-N 3.29Å; A396-I400 WeakPolarHBondContact O-CG1 3.46Å; A396-I400 PolarHBondContact O-N 2.78Å; A396-L461 HydrophobicContact CB-CD1 3.94Å; A396-L461 HydrophobicContact CB-CD2 3.95Å
397	T	92.1	Very high	89.3	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.5	-46.5	179.7	-56.8	0	0	0	0	111.5	F393 Q394 R395 L399 I400 V401 Q488 L491 L492	F393-T397 VanDerWaalsContact O-CB 3.31Å; F393-T397 WeakPolarHBondContact O-CB 3.47Å; F393-T397 PolarHBondContact O-N 3.41Å; F393-T397 PolarHBondContact O-OG1 2.88Å; Q394-T397 PolarHBondContact O-N 2.62Å; R395-T397 PolarHBondContact O-N 2.89Å; T397-L399 VanDerWaalsContact C-N 3.29Å; T397-L399 PolarHBondContact O-N 3.39Å; T397-I400 PolarHBondContact O-N 2.93Å; T397-V401 HydrophobicContact CG2-CG2 4.35Å; T397-V401 WeakPolarHBondContact O-CG2 3.29Å; T397-V401 PolarHBondContact O-N 2.89Å; T397-Q488 HydrophobicContact CG2-CB 4.32Å; T397-Q488 PolarHBondContact OG1-OE1 3.24Å; T397-L491 HydrophobicContact CG2-CB 3.72Å; T397-L491 HydrophobicContact CG2-CD1 4.08Å; T397-L492 HydrophobicContact CG2-CD2 3.95Å; T397-L492 HydrophobicContact CG2-CG 4.09Å
398	N	92.3	Very high	89.1	Confident	70 Å²	70	59.1 Å²	59.1	37%	0.374	29%	0.287	S	S	.	.	H	α-helix	trans	-60.8	-38.7	178.5	-72.7	-10.7	0	0	0	112.3	Q394 R395 K402	Q394-N398 PolarHBondContact NE2-ND2 3.48Å; Q394-N398 PolarHBondContact NE2-OD1 2.99Å; Q394-N398 VanDerWaalsContact NE2-OD1 3.09Å; Q394-N398 WeakPolarHBondContact O-CB 3.28Å; Q394-N398 VanDerWaalsContact O-CG 3.24Å; Q394-N398 PolarHBondContact O-N 2.63Å; Q394-N398 PolarHBondContact O-ND2 2.78Å; R395-N398 PolarHBondContact O-N 3.34Å; N398-K402 WeakPolarHBondContact O-CB 3.07Å; N398-K402 VanDerWaalsContact O-CG 3.31Å; N398-K402 WeakPolarHBondContact O-CG 3.47Å; N398-K402 PolarHBondContact O-N 2.84Å
399	L	90.9	Very high	89	Confident	31 Å²	31	63.4 Å²	63.4	16%	0.162	31%	0.307	C	S	.	.	H	α-helix	trans	-65	-45.8	175.5	-73.3	172.8	0	0	0	111.4	D383 R395 A396 T397 A403	D383-L399 HydrophobicContact CB-CD1 4.19Å; R395-L399 HydrophobicContact CG-CD1 4.12Å; R395-L399 WeakPolarHBondContact O-CG 3.49Å; R395-L399 PolarHBondContact O-N 2.92Å; A396-L399 PolarHBondContact O-N 3.29Å; T397-L399 VanDerWaalsContact C-N 3.29Å; T397-L399 PolarHBondContact O-N 3.39Å; L399-A403 WeakPolarHBondContact O-CB 3.43Å; L399-A403 PolarHBondContact O-N 3.03Å
400	I	91.1	Very high	88.7	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-62.1	-47.5	178.4	-69.3	166.3	0	0	0	111.4	L384 A396 T397 K402 A403 K404 E458 L461 L492	L384-I400 HydrophobicContact CD1-CD1 3.89Å; L384-I400 HydrophobicContact CD1-CG1 3.92Å; L384-I400 HydrophobicContact CD2-CD1 3.76Å; L384-I400 HydrophobicContact CD2-CG1 3.39Å; L384-I400 HydrophobicContact CG-CD1 4.43Å; L384-I400 HydrophobicContact CG-CG1 4.33Å; A396-I400 WeakPolarHBondContact O-CG1 3.46Å; A396-I400 PolarHBondContact O-N 2.78Å; T397-I400 PolarHBondContact O-N 2.93Å; I400-K402 PolarHBondContact O-N 3.49Å; I400-A403 PolarHBondContact O-N 3.18Å; I400-K404 HydrophobicContact CG2-CD 3.82Å; I400-K404 HydrophobicContact CG2-CG 4.25Å; I400-K404 WeakPolarHBondContact O-CB 3.26Å; I400-K404 WeakPolarHBondContact O-CG 3.03Å; I400-K404 PolarHBondContact O-N 3.42Å; I400-E458 HydrophobicContact CD1-CB 4.23Å; I400-E458 HydrophobicContact CD1-CG 4.49Å; I400-E458 HydrophobicContact CG2-CB 4.36Å; I400-E458 HydrophobicContact CG2-CG 4.26Å; I400-L461 HydrophobicContact CD1-CB 4.28Å; I400-L461 HydrophobicContact CD1-CD2 3.4Å; I400-L461 VanDerWaalsContact CD1-CD2 3.4Å; I400-L461 HydrophobicContact CD1-CG 4.47Å; I400-L492 HydrophobicContact CB-CD2 4.2Å; I400-L492 HydrophobicContact CD1-CD2 4.15Å; I400-L492 HydrophobicContact CG2-CD2 3.88Å
401	V	90.6	Very high	88.2	Confident	36 Å²	36	56.8 Å²	56.8	22%	0.218	27%	0.267	C	S	.	.	H	α-helix	trans	-59.1	-50.6	-178.6	172.2	0	0	0	0	110.2	T397 A403 K404 E405 L491	T397-V401 HydrophobicContact CG2-CG2 4.35Å; T397-V401 WeakPolarHBondContact O-CG2 3.29Å; T397-V401 PolarHBondContact O-N 2.89Å; V401-A403 VanDerWaalsContact C-N 3.33Å; V401-A403 PolarHBondContact O-N 3.47Å; V401-K404 PolarHBondContact O-N 3.4Å; V401-E405 WeakPolarHBondContact CG1-OE1 3.43Å; V401-E405 WeakPolarHBondContact O-CG 3.49Å; V401-E405 PolarHBondContact O-N 3.43Å; V401-L491 HydrophobicContact CG2-CB 4.33Å
402	K	90.3	Very high	87.6	Confident	126 Å²	126	54.2 Å²	54.2	55%	0.548	27%	0.267	S	S	.	.	H	α-helix	trans	-61.8	-39.7	177.1	-71.4	179.8	178.8	-174.3	0	112.8	W376 N398 I400 S406	W376-K402 HydrophobicContact CH2-CB 4.02Å; N398-K402 WeakPolarHBondContact O-CB 3.07Å; N398-K402 VanDerWaalsContact O-CG 3.31Å; N398-K402 WeakPolarHBondContact O-CG 3.47Å; N398-K402 PolarHBondContact O-N 2.84Å; I400-K402 PolarHBondContact O-N 3.49Å; K402-S406 WeakPolarHBondContact O-CB 3.41Å; K402-S406 PolarHBondContact O-N 2.92Å; K402-S406 PolarHBondContact O-OG 2.9Å
403	A	89.9	Confident	86.3	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-66.1	-43.3	179.9	0	0	0	0	0	111.6	W376 L377 V380 L399 I400 V401 S406 L407 I454	W376-A403 HydrophobicContact CH2-CB 4.45Å; L377-A403 HydrophobicContact CD1-CB 3.52Å; V380-A403 HydrophobicContact CG1-CB 4.01Å; V380-A403 HydrophobicContact CG2-CB 4.49Å; L399-A403 WeakPolarHBondContact O-CB 3.43Å; L399-A403 PolarHBondContact O-N 3.03Å; I400-A403 PolarHBondContact O-N 3.18Å; V401-A403 VanDerWaalsContact C-N 3.33Å; V401-A403 PolarHBondContact O-N 3.47Å; A403-S406 PolarHBondContact O-N 3.43Å; A403-L407 WeakPolarHBondContact O-CB 3.3Å; A403-L407 WeakPolarHBondContact O-CG 3.49Å; A403-L407 PolarHBondContact O-N 3.21Å; A403-I454 HydrophobicContact CB-CD1 4.05Å
404	K	89.5	Confident	84.4	Confident	75 Å²	75	61.4 Å²	61.4	33%	0.326	30%	0.303	S	S	.	.	H	α-helix	trans	-67.3	-41.9	176.7	-71.4	-179.4	75.5	168.4	0	112.2	I400 V401 S406 L407 N408 I454 E458	I400-K404 HydrophobicContact CG2-CD 3.82Å; I400-K404 HydrophobicContact CG2-CG 4.25Å; I400-K404 WeakPolarHBondContact O-CB 3.26Å; I400-K404 WeakPolarHBondContact O-CG 3.03Å; I400-K404 PolarHBondContact O-N 3.42Å; V401-K404 PolarHBondContact O-N 3.4Å; K404-S406 VanDerWaalsContact C-N 3.33Å; K404-S406 PolarHBondContact O-N 3.37Å; K404-L407 PolarHBondContact O-N 3.05Å; K404-N408 WeakPolarHBondContact O-CB 3.37Å; K404-N408 PolarHBondContact O-N 2.96Å; K404-N408 PolarHBondContact O-ND2 3.44Å; K404-I454 HydrophobicContact CG-CG2 4.3Å; K404-E458 WeakPolarHBondContact CD-OE2 3.42Å; K404-E458 IonicContact NZ-OE1 2.7Å; K404-E458 IonicContact NZ-OE2 3.1Å; K404-E458 PolarHBondContact NZ-OE2 3.27Å
405	E	86.1	Confident	82.4	Confident	110 Å²	110	63.7 Å²	63.7	51%	0.514	32%	0.317	S	S	.	.	H	α-helix	trans	-59.8	-45.3	174.6	-74.9	171	-173.5	0	0	111.4	V401 N408 Q409	V401-E405 WeakPolarHBondContact CG1-OE1 3.43Å; V401-E405 WeakPolarHBondContact O-CG 3.49Å; V401-E405 PolarHBondContact O-N 3.43Å; E405-N408 PolarHBondContact O-N 3.4Å; E405-Q409 WeakPolarHBondContact O-CG 3.49Å; E405-Q409 PolarHBondContact O-N 2.9Å
406	S	86.4	Confident	80	Confident	22 Å²	22	63.5 Å²	63.5	15%	0.154	33%	0.331	C	S	.	.	H	α-helix	trans	-66.6	-42.1	178.4	-56.5	0	0	0	0	112.1	K402 A403 K404 Q409 I410	K402-S406 WeakPolarHBondContact O-CB 3.41Å; K402-S406 PolarHBondContact O-N 2.92Å; K402-S406 PolarHBondContact O-OG 2.9Å; A403-S406 PolarHBondContact O-N 3.43Å; K404-S406 VanDerWaalsContact C-N 3.33Å; K404-S406 PolarHBondContact O-N 3.37Å; S406-Q409 PolarHBondContact O-N 3.42Å; S406-I410 WeakPolarHBondContact O-CD1 3.38Å; S406-I410 VanDerWaalsContact O-CG1 3.26Å; S406-I410 WeakPolarHBondContact O-CG1 3.46Å; S406-I410 PolarHBondContact O-N 3.26Å; S406-I410 VanDerWaalsContact O-N 3.08Å
407	L	86.3	Confident	77.3	Confident	3 Å²	3	72.8 Å²	72.8	2%	0.016	37%	0.371	C	S	.	.	H	α-helix	trans	-62.4	-45	174.8	-82.3	172.5	0	0	0	111.5	L377 A403 K404 Q409 I410 L411 W447 I454	L377-L407 HydrophobicContact CD1-CG 4.49Å; L377-L407 HydrophobicContact CD2-CD2 3.64Å; L377-L407 HydrophobicContact CD2-CG 3.73Å; A403-L407 WeakPolarHBondContact O-CB 3.3Å; A403-L407 WeakPolarHBondContact O-CG 3.49Å; A403-L407 PolarHBondContact O-N 3.21Å; K404-L407 PolarHBondContact O-N 3.05Å; L407-Q409 VanDerWaalsContact C-N 3.27Å; L407-Q409 PolarHBondContact O-N 3.17Å; L407-I410 PolarHBondContact O-N 3.24Å; L407-I410 VanDerWaalsContact O-N 3.17Å; L407-L411 HydrophobicContact CB-CD1 4.12Å; L407-L411 HydrophobicContact CD2-CD1 4Å; L407-L411 WeakPolarHBondContact O-CB 3.36Å; L407-L411 WeakPolarHBondContact O-CD1 3.23Å; L407-L411 PolarHBondContact O-N 2.96Å; L407-W447 HydrophobicContact CD2-CE3 3.89Å; L407-W447 HydrophobicContact CD2-CZ3 4.49Å; L407-I454 HydrophobicContact CD1-CD1 3.58Å
408	N	83	Confident	74.5	Confident	100 Å²	100	78.3 Å²	78.3	54%	0.535	41%	0.407	S	S	.	.	H	α-helix	trans	-60.5	-39.2	178	-73.6	-19.7	0	0	0	111.5	K404 E405 T412	K404-N408 WeakPolarHBondContact O-CB 3.37Å; K404-N408 PolarHBondContact O-N 2.96Å; K404-N408 PolarHBondContact O-ND2 3.44Å; E405-N408 PolarHBondContact O-N 3.4Å; N408-T412 WeakPolarHBondContact O-CB 3.35Å; N408-T412 PolarHBondContact O-N 3.38Å; N408-T412 VanDerWaalsContact O-N 3.08Å; N408-T412 PolarHBondContact O-OG1 3.17Å
409	Q	83.5	Confident	71.8	Confident	112 Å²	112	80 Å²	80	52%	0.523	42%	0.424	S	S	.	.	H	α-helix	trans	-61.2	-48.7	173.9	-71.8	171.1	15.4	0	0	111.4	E405 S406 L407 T412 E413	E405-Q409 WeakPolarHBondContact O-CG 3.49Å; E405-Q409 PolarHBondContact O-N 2.9Å; S406-Q409 PolarHBondContact O-N 3.42Å; L407-Q409 VanDerWaalsContact C-N 3.27Å; L407-Q409 PolarHBondContact O-N 3.17Å; Q409-T412 PolarHBondContact O-N 3.1Å; Q409-E413 WeakPolarHBondContact O-CG 3.36Å; Q409-E413 PolarHBondContact O-N 2.96Å; Q409-E413 VanDerWaalsContact O-N 3.07Å
410	I	80.3	Confident	68.9	Low	25 Å²	25	86.9 Å²	86.9	13%	0.128	46%	0.458	C	S	.	.	H	α-helix	trans	-63.9	-46.3	-179.6	-63	162	0	0	0	111.7	H374 L377 S406 L407 T412 W447	H374-I410 HydrophobicContact CB-CD1 4.25Å; L377-I410 HydrophobicContact CD2-CD1 4.16Å; S406-I410 WeakPolarHBondContact O-CD1 3.38Å; S406-I410 VanDerWaalsContact O-CG1 3.26Å; S406-I410 WeakPolarHBondContact O-CG1 3.46Å; S406-I410 PolarHBondContact O-N 3.26Å; S406-I410 VanDerWaalsContact O-N 3.08Å; L407-I410 PolarHBondContact O-N 3.24Å; L407-I410 VanDerWaalsContact O-N 3.17Å; I410-T412 VanDerWaalsContact C-N 3.28Å; I410-T412 PolarHBondContact O-N 3.06Å; I410-W447 HydrophobicContact CD1-CE3 4.33Å; I410-W447 HydrophobicContact CD1-CH2 3.92Å; I410-W447 HydrophobicContact CD1-CZ2 4.33Å; I410-W447 HydrophobicContact CD1-CZ3 3.93Å; I410-W447 HydrophobicContact CG2-CD2 4.14Å; I410-W447 HydrophobicContact CG2-CG 4.36Å; I410-W447 HydrophobicContact CG2-CZ2 4.41Å
411	L	78.3	Confident	66.1	Low	52 Å²	52	94.5 Å²	94.5	27%	0.272	50%	0.498	S	S	.	.	H	α-helix	trans	-71.1	-21.4	-178.5	-82.5	97.5	0	0	0	113.2	L407 W447	L407-L411 HydrophobicContact CB-CD1 4.12Å; L407-L411 HydrophobicContact CD2-CD1 4Å; L407-L411 WeakPolarHBondContact O-CB 3.36Å; L407-L411 WeakPolarHBondContact O-CD1 3.23Å; L407-L411 PolarHBondContact O-N 2.96Å; L411-W447 HydrophobicContact CD1-CB 4.45Å
412	T	72.5	Confident	63.4	Low	92 Å²	92	98.6 Å²	98.6	56%	0.564	52%	0.524	S	S	*	.	H	α-helix	trans	-91.3	-32.1	-179.3	-51.8	0	0	0	0	112.7	N408 Q409 I410 D414 I415	N408-T412 WeakPolarHBondContact O-CB 3.35Å; N408-T412 PolarHBondContact O-N 3.38Å; N408-T412 VanDerWaalsContact O-N 3.08Å; N408-T412 PolarHBondContact O-OG1 3.17Å; Q409-T412 PolarHBondContact O-N 3.1Å; I410-T412 VanDerWaalsContact C-N 3.28Å; I410-T412 PolarHBondContact O-N 3.06Å; T412-D414 PolarHBondContact O-N 3.4Å; T412-D414 VanDerWaalsContact O-N 3.14Å; T412-I415 PolarHBondContact O-N 3.23Å
413	E	62.9	Low	60.4	Low	120 Å²	120	99.9 Å²	99.9	56%	0.561	54%	0.536	S	S	*	.	H	α-helix	trans	-59.9	-23.3	-178.2	-86.8	-177.6	167.1	0	0	113.9	Q409 I415	Q409-E413 WeakPolarHBondContact O-CG 3.36Å; Q409-E413 PolarHBondContact O-N 2.96Å; Q409-E413 VanDerWaalsContact O-N 3.07Å; E413-I415 VanDerWaalsContact C-N 3.32Å; E413-I415 PolarHBondContact O-N 3.25Å
414	D	51.4	Low	57.8	Low	129 Å²	129	107.4 Å²	107.4	69%	0.69	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-11.5	179.7	-84.3	-14.1	0	0	0	114.9	T412	T412-D414 PolarHBondContact O-N 3.4Å; T412-D414 VanDerWaalsContact O-N 3.14Å
415	I	49.9	Very low	55	Low	135 Å²	135	111.4 Å²	111.4	69%	0.692	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-20.2	-176.6	-58.2	176.9	0	0	0	112.4	T412 E413 K417	T412-I415 PolarHBondContact O-N 3.23Å; E413-I415 VanDerWaalsContact C-N 3.32Å; E413-I415 PolarHBondContact O-N 3.25Å; I415-K417 PolarHBondContact O-N 3.3Å
416	S	40.9	Very low	52.2	Low	94 Å²	94	111.2 Å²	111.2	66%	0.657	61%	0.606	S	S	*	*	S	Bend	trans	-95.3	19.6	-170.1	57.6	0	0	0	0	115.9
417	K	35.9	Very low	49.6	Very low	195 Å²	195	115.6 Å²	115.6	85%	0.848	64%	0.636	S	S	*	*			trans	-119.1	81.8	166.8	-75.9	-175.5	179.7	174.8	0	113.3	I415	I415-K417 PolarHBondContact O-N 3.3Å
418	P	33.4	Very low	46.8	Very low	117 Å²	117	123.3 Å²	123.3	76%	0.76	68%	0.678	S	S	*	*			trans	-107.5	82.9	150.4	35.1	-21.7	0	0	0	108
419	S	34.3	Very low	44.2	Very low	105 Å²	105	124.1 Å²	124.1	73%	0.734	69%	0.691	S	S	*	*			trans	-123.6	91.6	164.4	74.3	0	0	0	0	109.2
420	M	30	Very low	41.5	Very low	175 Å²	175	123.6 Å²	123.6	86%	0.862	70%	0.7	S	S	*	*			trans	23.3	101.3	146.5	-79.6	-72.3	-175.3	0	0	116.3	T422	M420-T422 PolarHBondContact O-N 3.42Å
421	D	32.6	Very low	39	Very low	161 Å²	161	129.1 Å²	129.1	86%	0.861	74%	0.735	S	S	*	*			trans	-61.4	109.8	156.3	-68.3	-52.6	0	0	0	110.7
422	T	34.6	Very low	36.6	Very low	122 Å²	122	131.7 Å²	131.7	75%	0.748	76%	0.757	S	S	*	*			trans	-142.9	75.7	152.9	35.7	0	0	0	0	111.2	M420	M420-T422 PolarHBondContact O-N 3.42Å
423	N	27.8	Very low	34.4	Very low	153 Å²	153	130.9 Å²	130.9	82%	0.818	77%	0.767	S	S	*	*				48.7	84.9	114.1	-147.4	12.2	0	0	0	117.7
424	I	34.1	Very low	32.8	Very low	158 Å²	158	133.2 Å²	133.2	81%	0.81	78%	0.778	S	S	*	*			trans	-136.3	95.5	150.5	-58.5	-177.6	0	0	0	109.8
425	Q	31.9	Very low	31.8	Very low	159 Å²	159	134 Å²	134	74%	0.743	78%	0.781	S	S	*	*			trans	29	109.6	135.5	-71.5	171.7	-6.5	0	0	119.7
426	S	26.8	Very low	31	Very low	107 Å²	107	132.2 Å²	132.2	75%	0.748	78%	0.781	S	S	*	*				29.9	109	124.5	60.1	0	0	0	0	119
427	S	32.2	Very low	30.9	Very low	113 Å²	113	134 Å²	134	79%	0.79	78%	0.783	S	S	*	*			trans	-173.5	114	131.8	17.8	0	0	0	0	112.4
428	N	26.5	Very low	31.1	Very low	166 Å²	166	130 Å²	130	89%	0.888	77%	0.774	S	S	*	*			trans	6.7	108.4	145.4	-59	-20.1	0	0	0	117.7
429	S	28.4	Very low	31.6	Very low	116 Å²	116	129.3 Å²	129.3	81%	0.811	77%	0.768	S	S	*	*			trans	-154.7	130.8	135.5	53.1	0	0	0	0	110.7
430	S	26.7	Very low	32.5	Very low	102 Å²	102	126.4 Å²	126.4	71%	0.713	74%	0.744	S	S	*	*			trans	-53.2	165.7	167.4	41	0	0	0	0	112.7
431	T	28.3	Very low	33.5	Very low	140 Å²	140	127 Å²	127	86%	0.859	75%	0.745	S	S	*	*			trans	72.9	75.1	164.4	44.5	0	0	0	0	117.3
432	S	27.2	Very low	35.1	Very low	107 Å²	107	124.3 Å²	124.3	75%	0.748	72%	0.722	S	S	*	*			trans	-161.2	137.6	135.1	-157.6	0	0	0	0	109.8	Q434	S432-Q434 VanDerWaalsContact C-N 3.33Å; S432-Q434 PolarHBondContact O-N 2.96Å
433	G	26.6	Very low	36.9	Very low	75 Å²	75	121.1 Å²	121.1	77%	0.773	71%	0.705	S	S	*	*			trans	-61.6	93.7	173.2	0	0	0	0	0	110
434	Q	29.1	Very low	39.3	Very low	169 Å²	169	119.3 Å²	119.3	79%	0.79	69%	0.69	S	S	*	*			trans	-97.2	97.4	167.7	-79.7	-177.9	-11.6	0	0	107.3	S432 S436	S432-Q434 VanDerWaalsContact C-N 3.33Å; S432-Q434 PolarHBondContact O-N 2.96Å; Q434-S436 VanDerWaalsContact C-N 3.26Å; Q434-S436 PolarHBondContact O-N 3.23Å
435	I	31.6	Very low	41.5	Very low	144 Å²	144	115.4 Å²	115.4	74%	0.738	67%	0.673	S	S	*	*			trans	10.3	78.9	130.5	-53.2	160	0	0	0	110.7	D437	I435-D437 PolarHBondContact O-N 3.32Å; I435-D437 VanDerWaalsContact O-N 3.14Å
436	S	32.5	Very low	44	Very low	99 Å²	99	110.2 Å²	110.2	69%	0.692	65%	0.651	S	S	*	*			trans	-78.9	93.5	157.7	39.1	0	0	0	0	103.6	Q434 T438	Q434-S436 VanDerWaalsContact C-N 3.26Å; Q434-S436 PolarHBondContact O-N 3.23Å; S436-T438 PolarHBondContact O-N 3.44Å
437	D	38.5	Very low	46.6	Very low	132 Å²	132	106 Å²	106	71%	0.706	62%	0.619	S	S	*	*			trans	-48.2	99.2	152.6	-76.3	-34.4	0	0	0	105.4	I435 V439	I435-D437 PolarHBondContact O-N 3.32Å; I435-D437 VanDerWaalsContact O-N 3.14Å; D437-V439 WeakPolarHBondContact O-CG2 3.06Å; D437-V439 PolarHBondContact O-N 2.91Å
438	T	39.3	Very low	49.2	Very low	109 Å²	109	104.2 Å²	104.2	67%	0.669	60%	0.598	S	S	*	*			trans	-68	86	174	50.3	0	0	0	0	105.6	S436 D440	S436-T438 PolarHBondContact O-N 3.44Å; T438-D440 PolarHBondContact O-N 3.46Å; T438-D440 VanDerWaalsContact O-N 3.09Å
439	V	44.7	Very low	52.1	Low	103 Å²	103	102.4 Å²	102.4	62%	0.624	58%	0.582	S	S	*	*			trans	-50.2	113.2	170.3	178.6	0	0	0	0	105.8	D437 H441	D437-V439 WeakPolarHBondContact O-CG2 3.06Å; D437-V439 PolarHBondContact O-N 2.91Å; V439-H441 PolarHBondContact O-N 2.86Å
440	D	52.7	Low	54.8	Low	45 Å²	45	97.4 Å²	97.4	24%	0.241	55%	0.546	C	S	.	.			trans	-56.2	104.8	173.5	-97.9	-43.4	0	0	0	106.7	S372 T438 R442 W447	S372-D440 PolarHBondContact OG-OD1 2.68Å; T438-D440 PolarHBondContact O-N 3.46Å; T438-D440 VanDerWaalsContact O-N 3.09Å; D440-R442 PolarHBondContact O-N 3.43Å; D440-W447 HydrophobicContact CB-CZ2 4.39Å
441	H	51.8	Low	57.8	Low	188 Å²	188	93.8 Å²	93.8	87%	0.87	52%	0.521	S	S	*	.			trans	-67.8	22.5	-177	-74.9	-63.7	0	0	0	114	V439	V439-H441 PolarHBondContact O-N 2.86Å
442	R	64.9	Low	60.7	Low	103 Å²	103	93.6 Å²	93.6	39%	0.389	51%	0.508	S	S	.	.			trans	-87.3	132.5	179.6	-60	-169.3	-165.6	-132.8	12.7	109.4	D440	D440-R442 PolarHBondContact O-N 3.43Å
443	S	73.5	Confident	63.8	Low	55 Å²	55	94.8 Å²	94.8	39%	0.385	50%	0.496	S	S	.	.			trans	-64.4	151.6	-177	55.2	0	0	0	0	111.2	T445 D446 W447	S443-T445 WeakPolarHBondContact CB-OG1 3.45Å; S443-T445 PolarHBondContact O-N 2.89Å; S443-T445 VanDerWaalsContact O-N 3.07Å; S443-T445 PolarHBondContact OG-OG1 3.08Å; S443-D446 PolarHBondContact O-N 3.25Å; S443-D446 PolarHBondContact OG-OD2 3.33Å; S443-W447 PolarHBondContact O-N 3.13Å
444	K	78.6	Confident	66.8	Low	116 Å²	116	91.2 Å²	91.2	50%	0.504	46%	0.46	S	S	.	.	H	α-helix	trans	-48.6	-35.5	170	-175.9	172.6	178.7	170.5	0	112.6	D446 W447 E448	K444-D446 VanDerWaalsContact C-N 3.31Å; K444-D446 PolarHBondContact O-N 2.82Å; K444-W447 PolarHBondContact O-N 3.16Å; K444-E448 WeakPolarHBondContact O-CG 3.35Å; K444-E448 PolarHBondContact O-N 2.76Å
445	T	79	Confident	69.7	Low	75 Å²	75	87 Å²	87	46%	0.46	44%	0.44	S	S	.	.	H	α-helix	trans	-63.1	-30.7	176.3	55.6	0	0	0	0	113.9	S443 K449	S443-T445 WeakPolarHBondContact CB-OG1 3.45Å; S443-T445 PolarHBondContact O-N 2.89Å; S443-T445 VanDerWaalsContact O-N 3.07Å; S443-T445 PolarHBondContact OG-OG1 3.08Å; T445-K449 VanDerWaalsContact O-CG 3.3Å; T445-K449 WeakPolarHBondContact O-CG 3.36Å; T445-K449 PolarHBondContact O-N 2.72Å; T445-K449 VanDerWaalsContact O-N 3.09Å
446	D	84.6	Confident	72.6	Confident	51 Å²	51	87.2 Å²	87.2	27%	0.273	43%	0.431	S	S	.	.	H	α-helix	trans	-78.5	-37	177.6	-70.4	-26	0	0	0	111.6	W378 S443 K444 E448 K449 L450	W378-D446 HydrophobicContact CH2-CB 4.15Å; S443-D446 PolarHBondContact O-N 3.25Å; S443-D446 PolarHBondContact OG-OD2 3.33Å; K444-D446 VanDerWaalsContact C-N 3.31Å; K444-D446 PolarHBondContact O-N 2.82Å; D446-E448 VanDerWaalsContact C-N 3.34Å; D446-K449 PolarHBondContact O-N 3.13Å; D446-K449 IonicContact OD1-NZ 2.64Å; D446-K449 PolarHBondContact OD1-NZ 3.09Å; D446-L450 PolarHBondContact O-N 3.29Å
447	W	82.2	Confident	75.3	Confident	18 Å²	18	82.7 Å²	82.7	7%	0.068	40%	0.399	C	S	.	.	H	α-helix	trans	-62.9	-40.4	170.1	-68.1	115.1	0	0	0	111.9	H374 L377 W378 L407 I410 L411 D440 S443 K444 L450 S451	H374-W447 HydrophobicContact CB-CH2 3.9Å; L377-W447 HydrophobicContact CD2-CE3 4.24Å; L377-W447 HydrophobicContact CD2-CH2 4.5Å; L377-W447 HydrophobicContact CD2-CZ3 3.58Å; L377-W447 HydrophobicContact CG-CZ3 4.49Å; W378-W447 HydrophobicContact CH2-CE3 4.32Å; W378-W447 HydrophobicContact CZ2-CD2 4.2Å; W378-W447 AromaticContact CZ2-CE3 3.85Å; W378-W447 HydrophobicContact CZ2-CE3 3.85Å; W378-W447 AromaticContact CZ2-CH2 3.9Å; W378-W447 HydrophobicContact CZ2-CH2 3.9Å; W378-W447 HydrophobicContact CZ2-CZ2 4.26Å; W378-W447 AromaticContact CZ2-CZ3 3.67Å; W378-W447 HydrophobicContact CZ2-CZ3 3.67Å; W378-W447 AromaticContact NE1-CH2 3.89Å; L407-W447 HydrophobicContact CD2-CE3 3.89Å; L407-W447 HydrophobicContact CD2-CZ3 4.49Å; I410-W447 HydrophobicContact CD1-CE3 4.33Å; I410-W447 HydrophobicContact CD1-CH2 3.92Å; I410-W447 HydrophobicContact CD1-CZ2 4.33Å; I410-W447 HydrophobicContact CD1-CZ3 3.93Å; I410-W447 HydrophobicContact CG2-CD2 4.14Å; I410-W447 HydrophobicContact CG2-CG 4.36Å; I410-W447 HydrophobicContact CG2-CZ2 4.41Å; L411-W447 HydrophobicContact CD1-CB 4.45Å; D440-W447 HydrophobicContact CB-CZ2 4.39Å; S443-W447 PolarHBondContact O-N 3.13Å; K444-W447 PolarHBondContact O-N 3.16Å; W447-L450 HydrophobicContact CE3-CD2 4.01Å; W447-L450 HydrophobicContact CZ3-CD2 3.94Å; W447-L450 PolarHBondContact O-N 2.95Å; W447-S451 PolarHBondContact O-N 2.9Å
448	E	85.5	Confident	77.9	Confident	75 Å²	75	77.3 Å²	77.3	35%	0.35	37%	0.37	S	S	.	.	H	α-helix	trans	-63.7	-39.7	174.1	-74	171.8	-174.4	0	0	112.3	K444 D446 S451 K452	K444-E448 WeakPolarHBondContact O-CG 3.35Å; K444-E448 PolarHBondContact O-N 2.76Å; D446-E448 VanDerWaalsContact C-N 3.34Å; E448-S451 PolarHBondContact O-N 2.97Å; E448-K452 WeakPolarHBondContact O-CG 3.47Å; E448-K452 PolarHBondContact O-N 3.31Å
449	K	87.9	Confident	80.4	Confident	129 Å²	129	77.3 Å²	77.3	56%	0.561	36%	0.358	S	S	*	.	H	α-helix	trans	-63.1	-42.1	173.1	-73.3	170.1	-161.8	157	0	111.6	T445 D446 K452 R453	T445-K449 VanDerWaalsContact O-CG 3.3Å; T445-K449 WeakPolarHBondContact O-CG 3.36Å; T445-K449 PolarHBondContact O-N 2.72Å; T445-K449 VanDerWaalsContact O-N 3.09Å; D446-K449 PolarHBondContact O-N 3.13Å; D446-K449 IonicContact OD1-NZ 2.64Å; D446-K449 PolarHBondContact OD1-NZ 3.09Å; K449-K452 PolarHBondContact O-N 2.62Å; K449-R453 PolarHBondContact O-N 2.82Å
450	L	86.3	Confident	82.6	Confident	10 Å²	10	74.6 Å²	74.6	5%	0.052	34%	0.339	C	S	.	.	H	α-helix	trans	-64.7	-43.6	177.4	-175.5	59.6	0	0	0	111.3	L377 W378 P381 D446 W447 K452 R453 I454	L377-L450 HydrophobicContact CB-CD2 4.35Å; L377-L450 HydrophobicContact CD2-CD2 4.04Å; L377-L450 HydrophobicContact CG-CD2 3.74Å; W378-L450 HydrophobicContact CD2-CD2 3.83Å; W378-L450 HydrophobicContact CE3-CB 4.39Å; W378-L450 HydrophobicContact CE3-CD1 3.95Å; W378-L450 HydrophobicContact CE3-CD2 3.68Å; W378-L450 HydrophobicContact CE3-CG 4.22Å; W378-L450 HydrophobicContact CH2-CB 4.08Å; W378-L450 HydrophobicContact CH2-CD2 3.87Å; W378-L450 HydrophobicContact CZ2-CD2 4Å; W378-L450 HydrophobicContact CZ3-CB 3.77Å; W378-L450 HydrophobicContact CZ3-CD1 4.18Å; W378-L450 HydrophobicContact CZ3-CD2 3.72Å; W378-L450 HydrophobicContact CZ3-CG 4.1Å; P381-L450 HydrophobicContact CG-CD1 3.79Å; D446-L450 PolarHBondContact O-N 3.29Å; W447-L450 HydrophobicContact CE3-CD2 4.01Å; W447-L450 HydrophobicContact CZ3-CD2 3.94Å; W447-L450 PolarHBondContact O-N 2.95Å; L450-K452 PolarHBondContact O-N 3.04Å; L450-R453 WeakPolarHBondContact O-CB 3.44Å; L450-R453 PolarHBondContact O-N 2.97Å; L450-R453 VanDerWaalsContact O-N 3.11Å; L450-I454 HydrophobicContact CD1-CD1 4.26Å; L450-I454 HydrophobicContact CG-CD1 4.01Å; L450-I454 PolarHBondContact O-N 3.44Å
451	S	89.2	Confident	84.5	Confident	26 Å²	26	72.4 Å²	72.4	18%	0.182	33%	0.328	C	S	.	.	H	α-helix	trans	-56.2	-49.2	173.3	-169.3	0	0	0	0	111.2	W447 E448 R453 I454 E455	W447-S451 PolarHBondContact O-N 2.9Å; E448-S451 PolarHBondContact O-N 2.97Å; S451-R453 PolarHBondContact O-N 2.89Å; S451-I454 PolarHBondContact O-N 3.31Å; S451-E455 WeakPolarHBondContact O-CB 3.5Å; S451-E455 VanDerWaalsContact O-CG 3.31Å; S451-E455 WeakPolarHBondContact O-CG 3.47Å; S451-E455 PolarHBondContact O-N 2.7Å; S451-E455 PolarHBondContact OG-OE1 2.99Å; S451-E455 VanDerWaalsContact OG-OE1 3.04Å
452	K	89.9	Confident	86.4	Confident	137 Å²	137	63.7 Å²	63.7	60%	0.596	29%	0.288	S	S	*	.	H	α-helix	trans	-59.6	-34.4	176.8	-73.8	176.2	-177.9	177.1	0	112.9	E448 K449 L450 R456	E448-K452 WeakPolarHBondContact O-CG 3.47Å; E448-K452 PolarHBondContact O-N 3.31Å; K449-K452 PolarHBondContact O-N 2.62Å; L450-K452 PolarHBondContact O-N 3.04Å; K452-R456 WeakPolarHBondContact O-CB 3.37Å; K452-R456 PolarHBondContact O-N 3.36Å
453	R	90.6	Very high	87.7	Confident	131 Å²	131	64.6 Å²	64.6	49%	0.494	30%	0.296	S	S	.	.	H	α-helix	trans	-70.2	-47.2	176.3	-166.8	168.1	177.1	132.6	-4.9	111.1	P381 K449 L450 S451 E455 R456 N457	P381-R453 HydrophobicContact CB-CG 3.97Å; P381-R453 HydrophobicContact CG-CG 4.18Å; K449-R453 PolarHBondContact O-N 2.82Å; L450-R453 WeakPolarHBondContact O-CB 3.44Å; L450-R453 PolarHBondContact O-N 2.97Å; L450-R453 VanDerWaalsContact O-N 3.11Å; S451-R453 PolarHBondContact O-N 2.89Å; R453-E455 VanDerWaalsContact C-N 3.34Å; R453-E455 PolarHBondContact O-N 3.27Å; R453-R456 WeakPolarHBondContact O-CA 3.34Å; R453-R456 WeakPolarHBondContact O-CB 3.47Å; R453-R456 PolarHBondContact O-N 3.26Å; R453-N457 PolarHBondContact O-N 3.43Å; R453-N457 PolarHBondContact O-OD1 3.47Å
454	I	90	Very high	88.5	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-61.1	-41.8	175.5	-71.5	160.3	0	0	0	111.3	L377 V380 P381 A403 K404 L407 L450 S451 R456 N457 E458	L377-I454 HydrophobicContact CD1-CD1 4.1Å; V380-I454 HydrophobicContact CG1-CG1 4.47Å; P381-I454 HydrophobicContact CG-CG1 4.4Å; A403-I454 HydrophobicContact CB-CD1 4.05Å; K404-I454 HydrophobicContact CG-CG2 4.3Å; L407-I454 HydrophobicContact CD1-CD1 3.58Å; L450-I454 HydrophobicContact CD1-CD1 4.26Å; L450-I454 HydrophobicContact CG-CD1 4.01Å; L450-I454 PolarHBondContact O-N 3.44Å; S451-I454 PolarHBondContact O-N 3.31Å; I454-R456 VanDerWaalsContact C-N 3.27Å; I454-R456 PolarHBondContact O-N 3.05Å; I454-N457 PolarHBondContact O-N 3.47Å; I454-E458 PolarHBondContact O-N 2.84Å
455	E	90.5	Very high	89.1	Confident	80 Å²	80	58.2 Å²	58.2	37%	0.374	27%	0.266	S	S	.	.	H	α-helix	trans	-61.2	-35.4	173.2	-74.3	165.1	-151.5	0	0	112.4	S451 R453 E458 R459	S451-E455 WeakPolarHBondContact O-CB 3.5Å; S451-E455 VanDerWaalsContact O-CG 3.31Å; S451-E455 WeakPolarHBondContact O-CG 3.47Å; S451-E455 PolarHBondContact O-N 2.7Å; S451-E455 PolarHBondContact OG-OE1 2.99Å; S451-E455 VanDerWaalsContact OG-OE1 3.04Å; R453-E455 VanDerWaalsContact C-N 3.34Å; R453-E455 PolarHBondContact O-N 3.27Å; E455-E458 PolarHBondContact O-N 2.94Å; E455-R459 PolarHBondContact O-N 2.84Å
456	R	91.6	Very high	89.7	Confident	148 Å²	148	57.7 Å²	57.7	56%	0.558	26%	0.259	S	S	*	.	H	α-helix	trans	-66.7	-44.8	173	178.5	178.6	173.1	79.5	7.3	111.4	K452 R453 I454 E458 R459 N460	K452-R456 WeakPolarHBondContact O-CB 3.37Å; K452-R456 PolarHBondContact O-N 3.36Å; R453-R456 WeakPolarHBondContact O-CA 3.34Å; R453-R456 WeakPolarHBondContact O-CB 3.47Å; R453-R456 PolarHBondContact O-N 3.26Å; I454-R456 VanDerWaalsContact C-N 3.27Å; I454-R456 PolarHBondContact O-N 3.05Å; R456-E458 VanDerWaalsContact C-N 3.31Å; R456-E458 PolarHBondContact O-N 3.44Å; R456-R459 WeakPolarHBondContact O-CB 3.38Å; R456-R459 PolarHBondContact O-N 3.27Å; R456-N460 PolarHBondContact O-N 2.89Å; R456-N460 PolarHBondContact O-OD1 3.47Å
457	N	90.3	Very high	89.9	Confident	5 Å²	5	62.2 Å²	62.2	3%	0.027	27%	0.273	C	S	.	.	H	α-helix	trans	-66.2	-34.5	176.2	-58.5	115	0	0	0	111.7	L384 D385 R453 I454 R459 N460 L461	L384-N457 HydrophobicContact CD2-CB 3.16Å; L384-N457 HydrophobicContact CG-CB 3.8Å; D385-N457 PolarHBondContact OD1-ND2 2.97Å; R453-N457 PolarHBondContact O-N 3.43Å; R453-N457 PolarHBondContact O-OD1 3.47Å; I454-N457 PolarHBondContact O-N 3.47Å; N457-R459 VanDerWaalsContact C-N 3.35Å; N457-R459 PolarHBondContact O-N 2.88Å; N457-N460 PolarHBondContact O-N 3.5Å; N457-L461 WeakPolarHBondContact O-CB 3.39Å; N457-L461 PolarHBondContact O-N 2.99Å
458	E	92.3	Very high	90.1	Very high	18 Å²	18	62.6 Å²	62.6	8%	0.084	28%	0.276	C	S	.	.	H	α-helix	trans	-60.4	-43.4	172.2	-172.9	-167.3	140.8	0	0	111.5	I400 K404 I454 E455 R456 L461 T462 L492 K494	I400-E458 HydrophobicContact CD1-CB 4.23Å; I400-E458 HydrophobicContact CD1-CG 4.49Å; I400-E458 HydrophobicContact CG2-CB 4.36Å; I400-E458 HydrophobicContact CG2-CG 4.26Å; K404-E458 WeakPolarHBondContact CD-OE2 3.42Å; K404-E458 IonicContact NZ-OE1 2.7Å; K404-E458 IonicContact NZ-OE2 3.1Å; K404-E458 PolarHBondContact NZ-OE2 3.27Å; I454-E458 PolarHBondContact O-N 2.84Å; E455-E458 PolarHBondContact O-N 2.94Å; R456-E458 VanDerWaalsContact C-N 3.31Å; R456-E458 PolarHBondContact O-N 3.44Å; E458-L461 PolarHBondContact O-N 3.4Å; E458-T462 WeakPolarHBondContact O-CB 3.32Å; E458-T462 PolarHBondContact O-N 2.94Å; E458-T462 PolarHBondContact O-OG1 3.42Å; E458-L492 HydrophobicContact CG-CD2 4.27Å; E458-K494 WeakPolarHBondContact OE1-CE 3.4Å; E458-K494 IonicContact OE1-NZ 2.78Å
459	R	91.7	Very high	90.2	Very high	110 Å²	110	59.1 Å²	59.1	42%	0.415	26%	0.259	S	S	.	.	H	α-helix	trans	-59.9	-48.8	173.3	-80.6	-178.2	-91.8	99.6	0.3	111.5	E455 R456 N457 L461 T462 E463	E455-R459 PolarHBondContact O-N 2.84Å; R456-R459 WeakPolarHBondContact O-CB 3.38Å; R456-R459 PolarHBondContact O-N 3.27Å; N457-R459 VanDerWaalsContact C-N 3.35Å; N457-R459 PolarHBondContact O-N 2.88Å; R459-L461 VanDerWaalsContact C-N 3.35Å; R459-L461 PolarHBondContact O-N 3.39Å; R459-T462 WeakPolarHBondContact O-CB 3.43Å; R459-T462 PolarHBondContact O-N 2.91Å; R459-T462 VanDerWaalsContact O-N 3.11Å; R459-E463 WeakPolarHBondContact O-CG 3.46Å; R459-E463 PolarHBondContact O-N 3.36Å
460	N	91.3	Very high	90.2	Very high	45 Å²	45	55.8 Å²	55.8	24%	0.241	25%	0.25	C	C	.	.	H	α-helix	trans	-59.6	-42.6	177.5	-63.5	-6.3	0	0	0	112.6	I388 R456 N457 T462 E463 S464	I388-N460 HydrophobicContact CD1-CB 4.46Å; R456-N460 PolarHBondContact O-N 2.89Å; R456-N460 PolarHBondContact O-OD1 3.47Å; N457-N460 PolarHBondContact O-N 3.5Å; N460-T462 VanDerWaalsContact C-N 3.34Å; N460-E463 PolarHBondContact O-N 3.39Å; N460-S464 WeakPolarHBondContact O-CB 3.47Å; N460-S464 PolarHBondContact O-N 3.25Å; N460-S464 PolarHBondContact O-OG 2.92Å
461	L	92.1	Very high	90.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.4	-41.9	175.4	176.1	62.7	0	0	0	111	I388 F393 A396 I400 N457 E458 R459 S464 L465 L492	I388-L461 HydrophobicContact CD1-CB 3.98Å; I388-L461 HydrophobicContact CG1-CB 4.26Å; I388-L461 HydrophobicContact CG1-CD1 4.08Å; F393-L461 HydrophobicContact CB-CD1 4.29Å; F393-L461 HydrophobicContact CD1-CD1 3.51Å; F393-L461 HydrophobicContact CE1-CD1 4.32Å; F393-L461 HydrophobicContact CG-CD1 4.32Å; A396-L461 HydrophobicContact CB-CD1 3.94Å; A396-L461 HydrophobicContact CB-CD2 3.95Å; I400-L461 HydrophobicContact CD1-CB 4.28Å; I400-L461 HydrophobicContact CD1-CD2 3.4Å; I400-L461 VanDerWaalsContact CD1-CD2 3.4Å; I400-L461 HydrophobicContact CD1-CG 4.47Å; N457-L461 WeakPolarHBondContact O-CB 3.39Å; N457-L461 PolarHBondContact O-N 2.99Å; E458-L461 PolarHBondContact O-N 3.4Å; R459-L461 VanDerWaalsContact C-N 3.35Å; R459-L461 PolarHBondContact O-N 3.39Å; L461-S464 WeakPolarHBondContact O-CB 3.37Å; L461-S464 PolarHBondContact O-N 3.48Å; L461-L465 HydrophobicContact CD1-CD1 4.16Å; L461-L465 HydrophobicContact CD1-CG 4.23Å; L461-L465 HydrophobicContact CG-CD1 3.99Å; L461-L465 HydrophobicContact CG-CG 4.47Å; L461-L465 WeakPolarHBondContact O-CB 3.39Å; L461-L465 WeakPolarHBondContact O-CG 3.38Å; L461-L465 PolarHBondContact O-N 3.15Å; L461-L492 HydrophobicContact CD2-CD1 3.92Å; L461-L492 HydrophobicContact CD2-CD2 4.33Å; L461-L492 HydrophobicContact CG-CD1 4.27Å
462	T	92.1	Very high	89.7	Confident	4 Å²	4	55.1 Å²	55.1	3%	0.025	25%	0.246	C	C	.	.	H	α-helix	trans	-65.6	-41	178.9	-53	0	0	0	0	111.5	E458 R459 N460 S464 L465 Q466 L489 K494 L497	E458-T462 WeakPolarHBondContact O-CB 3.32Å; E458-T462 PolarHBondContact O-N 2.94Å; E458-T462 PolarHBondContact O-OG1 3.42Å; R459-T462 WeakPolarHBondContact O-CB 3.43Å; R459-T462 PolarHBondContact O-N 2.91Å; R459-T462 VanDerWaalsContact O-N 3.11Å; N460-T462 VanDerWaalsContact C-N 3.34Å; T462-S464 VanDerWaalsContact C-N 3.34Å; T462-L465 PolarHBondContact O-N 2.77Å; T462-Q466 WeakPolarHBondContact O-CB 3.47Å; T462-Q466 VanDerWaalsContact O-CG 3.31Å; T462-Q466 WeakPolarHBondContact O-CG 3.2Å; T462-Q466 PolarHBondContact O-N 3.01Å; T462-Q466 PolarHBondContact O-NE2 3.07Å; T462-L489 HydrophobicContact CG2-CD2 3.93Å; T462-K494 HydrophobicContact CG2-CD 3.51Å; T462-K494 PolarHBondContact OG1-NZ 3.4Å; T462-L497 HydrophobicContact CG2-CD2 4.04Å
463	E	92.6	Very high	88.9	Confident	122 Å²	122	49.4 Å²	49.4	57%	0.57	23%	0.225	S	C	*	.	H	α-helix	trans	-62.9	-41.5	173.6	-73.6	172.4	-164.2	0	0	111.3	R459 N460 Q466 Y467	R459-E463 WeakPolarHBondContact O-CG 3.46Å; R459-E463 PolarHBondContact O-N 3.36Å; N460-E463 PolarHBondContact O-N 3.39Å; E463-Q466 WeakPolarHBondContact O-CB 3.3Å; E463-Q466 PolarHBondContact O-N 3.47Å; E463-Y467 PolarHBondContact O-N 3.24Å
464	S	89.7	Confident	88	Confident	37 Å²	37	47.6 Å²	47.6	26%	0.259	23%	0.231	S	C	.	.	H	α-helix	trans	-63.2	-44.9	175.8	-58.2	0	0	0	0	111.7	N460 L461 T462 Y467 E468	N460-S464 WeakPolarHBondContact O-CB 3.47Å; N460-S464 PolarHBondContact O-N 3.25Å; N460-S464 PolarHBondContact O-OG 2.92Å; L461-S464 WeakPolarHBondContact O-CB 3.37Å; L461-S464 PolarHBondContact O-N 3.48Å; T462-S464 VanDerWaalsContact C-N 3.34Å; S464-Y467 PolarHBondContact O-N 3.35Å; S464-E468 WeakPolarHBondContact O-CG 3.36Å; S464-E468 PolarHBondContact O-N 3.04Å
465	L	90.8	Very high	87	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.7	-37.5	176.6	-75	170.6	0	0	0	112.5	F393 L461 T462 E468 L469 A485 Q488 L489 L492	F393-L465 HydrophobicContact CB-CD2 3.87Å; F393-L465 HydrophobicContact CD1-CD2 4.27Å; F393-L465 HydrophobicContact CD2-CD2 3.97Å; F393-L465 HydrophobicContact CG-CD2 3.76Å; F393-L465 HydrophobicContact CG-CG 4.47Å; L461-L465 HydrophobicContact CD1-CD1 4.16Å; L461-L465 HydrophobicContact CD1-CG 4.23Å; L461-L465 HydrophobicContact CG-CD1 3.99Å; L461-L465 HydrophobicContact CG-CG 4.47Å; L461-L465 WeakPolarHBondContact O-CB 3.39Å; L461-L465 WeakPolarHBondContact O-CG 3.38Å; L461-L465 PolarHBondContact O-N 3.15Å; T462-L465 PolarHBondContact O-N 2.77Å; L465-E468 PolarHBondContact O-N 3.26Å; L465-L469 PolarHBondContact O-N 2.86Å; L465-A485 HydrophobicContact CD2-CB 4.04Å; L465-Q488 HydrophobicContact CD1-CB 3.94Å; L465-Q488 HydrophobicContact CD2-CB 4.4Å; L465-L489 HydrophobicContact CB-CD1 4.47Å; L465-L489 HydrophobicContact CB-CD2 3.85Å; L465-L489 HydrophobicContact CB-CG 4.13Å; L465-L489 HydrophobicContact CD1-CD2 3.75Å; L465-L489 HydrophobicContact CD1-CG 4.02Å; L465-L489 HydrophobicContact CG-CD2 4.46Å; L465-L492 HydrophobicContact CD1-CD1 4.14Å
466	Q	91.8	Very high	85.4	Confident	65 Å²	65	57.2 Å²	57.2	30%	0.304	27%	0.272	S	S	.	.	H	α-helix	trans	-58.8	-49.8	172.1	-84.9	172.4	85	0	0	111.3	T462 E463 E468 L469 V470 L497 L501	T462-Q466 WeakPolarHBondContact O-CB 3.47Å; T462-Q466 VanDerWaalsContact O-CG 3.31Å; T462-Q466 WeakPolarHBondContact O-CG 3.2Å; T462-Q466 PolarHBondContact O-N 3.01Å; T462-Q466 PolarHBondContact O-NE2 3.07Å; E463-Q466 WeakPolarHBondContact O-CB 3.3Å; E463-Q466 PolarHBondContact O-N 3.47Å; Q466-E468 VanDerWaalsContact C-N 3.29Å; Q466-E468 PolarHBondContact O-N 2.85Å; Q466-L469 PolarHBondContact O-N 2.94Å; Q466-V470 WeakPolarHBondContact O-CB 3.32Å; Q466-V470 VanDerWaalsContact O-CG2 3.31Å; Q466-V470 WeakPolarHBondContact O-CG2 3.08Å; Q466-V470 PolarHBondContact O-N 2.75Å; Q466-L497 HydrophobicContact CG-CD2 4.41Å; Q466-L501 HydrophobicContact CB-CD1 4.35Å; Q466-L501 HydrophobicContact CG-CD1 3.52Å; Q466-L501 HydrophobicContact CG-CD2 4.19Å; Q466-L501 HydrophobicContact CG-CG 4.47Å
467	Y	89	Confident	83.8	Confident	145 Å²	145	52.9 Å²	52.9	57%	0.569	27%	0.274	S	S	*	.	H	α-helix	trans	-60.7	-39.4	177.1	-178.8	-95.7	0	0	0	112.1	E463 S464 S471	E463-Y467 PolarHBondContact O-N 3.24Å; S464-Y467 PolarHBondContact O-N 3.35Å; Y467-S471 VanDerWaalsContact O-CB 3.24Å; Y467-S471 WeakPolarHBondContact O-CB 3.33Å; Y467-S471 PolarHBondContact O-N 2.87Å; Y467-S471 PolarHBondContact O-OG 3.1Å
468	E	86.7	Confident	82.7	Confident	27 Å²	27	53.1 Å²	53.1	13%	0.126	28%	0.276	C	S	.	.	H	α-helix	trans	-64.3	-43	176.5	-72.5	-63.6	136.2	0	0	112.4	R391 F393 S464 L465 Q466 A472 R475	R391-E468 IonicContact CZ-OE1 2.69Å; R391-E468 IonicContact NE-OE1 3.71Å; R391-E468 IonicContact NH2-OE1 3.11Å; F393-E468 HydrophobicContact CE2-CG 3.67Å; F393-E468 HydrophobicContact CZ-CG 3.8Å; S464-E468 WeakPolarHBondContact O-CG 3.36Å; S464-E468 PolarHBondContact O-N 3.04Å; L465-E468 PolarHBondContact O-N 3.26Å; Q466-E468 VanDerWaalsContact C-N 3.29Å; Q466-E468 PolarHBondContact O-N 2.85Å; E468-A472 WeakPolarHBondContact O-CA 3.02Å; E468-A472 VanDerWaalsContact O-CB 3.3Å; E468-A472 WeakPolarHBondContact O-CB 3.14Å; E468-A472 PolarHBondContact O-N 3.1Å; E468-R475 IonicContact OE1-CZ 3.57Å; E468-R475 IonicContact OE1-NH1 3.59Å; E468-R475 PolarHBondContact OE1-NH1 2.84Å; E468-R475 VanDerWaalsContact OE1-NH1 3.16Å; E468-R475 IonicContact OE1-NH2 3.59Å; E468-R475 PolarHBondContact OE1-NH2 2.86Å; E468-R475 IonicContact OE2-CZ 3.64Å; E468-R475 VanDerWaalsContact OE2-CZ 3.3Å; E468-R475 IonicContact OE2-NH1 3.81Å; E468-R475 PolarHBondContact OE2-NH1 2.6Å; E468-R475 IonicContact OE2-NH2 2.87Å; E468-R475 PolarHBondContact OE2-NH2 3.34Å
469	L	87.7	Confident	81.7	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-67.7	-45	176.5	-76.1	172	0	0	0	112.4	L465 Q466 S471 A472 V482 A485 V486 L489 L501	L465-L469 PolarHBondContact O-N 2.86Å; Q466-L469 PolarHBondContact O-N 2.94Å; L469-S471 VanDerWaalsContact C-N 3.29Å; L469-S471 PolarHBondContact O-N 3.49Å; L469-A472 WeakPolarHBondContact O-CB 3.42Å; L469-A472 PolarHBondContact O-N 2.89Å; L469-V482 HydrophobicContact CD2-CB 4.13Å; L469-V482 HydrophobicContact CD2-CG1 3.8Å; L469-V482 HydrophobicContact CD2-CG2 4.06Å; L469-A485 HydrophobicContact CD1-CB 4.34Å; L469-A485 HydrophobicContact CD2-CB 3.89Å; L469-A485 HydrophobicContact CG-CB 3.94Å; L469-V486 HydrophobicContact CD2-CG2 4.29Å; L469-L489 HydrophobicContact CD1-CD1 3.56Å; L469-L501 HydrophobicContact CB-CB 4.15Å; L469-L501 HydrophobicContact CD1-CB 3.69Å; L469-L501 HydrophobicContact CD1-CD1 3.92Å; L469-L501 HydrophobicContact CD1-CG 4.48Å
470	V	87.2	Confident	81	Confident	60 Å²	60	59.3 Å²	59.3	36%	0.364	31%	0.313	S	S	.	.	H	α-helix	trans	-67.7	-29.5	179.3	173.9	0	0	0	0	111.9	Q466 L501 V504 Q508	Q466-V470 WeakPolarHBondContact O-CB 3.32Å; Q466-V470 VanDerWaalsContact O-CG2 3.31Å; Q466-V470 WeakPolarHBondContact O-CG2 3.08Å; Q466-V470 PolarHBondContact O-N 2.75Å; V470-L501 HydrophobicContact CG2-CD2 3.95Å; V470-V504 HydrophobicContact CG2-CG1 4.46Å; V470-Q508 PolarHBondContact O-NE2 3.05Å; V470-Q508 PolarHBondContact O-OE1 2.93Å
471	S	84.3	Confident	80.5	Confident	18 Å²	18	59.9 Å²	59.9	13%	0.126	32%	0.321	C	S	.	.	H	α-helix	trans	-93.1	-7.2	177.3	66.9	0	0	0	0	114	Y467 L469 A473 C474 R475	Y467-S471 VanDerWaalsContact O-CB 3.24Å; Y467-S471 WeakPolarHBondContact O-CB 3.33Å; Y467-S471 PolarHBondContact O-N 2.87Å; Y467-S471 PolarHBondContact O-OG 3.1Å; L469-S471 VanDerWaalsContact C-N 3.29Å; L469-S471 PolarHBondContact O-N 3.49Å; S471-A473 VanDerWaalsContact C-N 3.25Å; S471-A473 PolarHBondContact O-N 3.18Å; S471-C474 WeakPolarHBondContact O-CB 3.47Å; S471-C474 PolarHBondContact O-N 2.58Å; S471-R475 PolarHBondContact OG-NH2 2.99Å
472	A	81.4	Confident	80.3	Confident	3 Å²	3	60 Å²	60	3%	0.025	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-60	-33.8	-174.4	0	0	0	0	0	112.9	E468 L469 C474 R475 A478 V482 Y505	E468-A472 WeakPolarHBondContact O-CA 3.02Å; E468-A472 VanDerWaalsContact O-CB 3.3Å; E468-A472 WeakPolarHBondContact O-CB 3.14Å; E468-A472 PolarHBondContact O-N 3.1Å; L469-A472 WeakPolarHBondContact O-CB 3.42Å; L469-A472 PolarHBondContact O-N 2.89Å; A472-C474 PolarHBondContact O-N 3.48Å; A472-R475 PolarHBondContact O-N 3.44Å; A472-A478 HydrophobicContact CB-CB 4.39Å; A472-A478 WeakPolarHBondContact O-CB 3.44Å; A472-V482 HydrophobicContact CB-CG2 3.55Å; A472-Y505 HydrophobicContact CB-CD2 3.65Å; A472-Y505 HydrophobicContact CB-CE2 3.76Å
473	A	74	Confident	80.1	Confident	18 Å²	18	64.5 Å²	64.5	15%	0.149	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-62.8	-13.7	178.7	0	0	0	0	0	113.5	S471 Y505 Q508 V509 K512	S471-A473 VanDerWaalsContact C-N 3.25Å; S471-A473 PolarHBondContact O-N 3.18Å; A473-Y505 HydrophobicContact CB-CD2 4.11Å; A473-Y505 HydrophobicContact CB-CE2 4.27Å; A473-Q508 HydrophobicContact CB-CB 3.67Å; A473-V509 HydrophobicContact CB-CG2 3.88Å; A473-K512 VanDerWaalsContact C-NZ 3.29Å; A473-K512 PolarHBondContact O-NZ 3.01Å
474	C	70.9	Confident	79.9	Confident	93 Å²	93	61 Å²	61	63%	0.628	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-93.4	-9.1	175.4	-61	0	0	0	0	113.8	S471 A472 K512	S471-C474 WeakPolarHBondContact O-CB 3.47Å; S471-C474 PolarHBondContact O-N 2.58Å; A472-C474 PolarHBondContact O-N 3.48Å; C474-K512 PolarHBondContact SG-NZ 3.42Å
475	R	69.3	Low	79.9	Confident	87 Å²	87	59.6 Å²	59.6	33%	0.328	32%	0.323	S	S	.	.	S	Bend	trans	-110.6	149.7	-165.5	-58.1	-173.5	-171.4	-169.8	12.6	112.3	E468 S471 A472	E468-R475 IonicContact OE1-CZ 3.57Å; E468-R475 IonicContact OE1-NH1 3.59Å; E468-R475 PolarHBondContact OE1-NH1 2.84Å; E468-R475 VanDerWaalsContact OE1-NH1 3.16Å; E468-R475 IonicContact OE1-NH2 3.59Å; E468-R475 PolarHBondContact OE1-NH2 2.86Å; E468-R475 IonicContact OE2-CZ 3.64Å; E468-R475 VanDerWaalsContact OE2-CZ 3.3Å; E468-R475 IonicContact OE2-NH1 3.81Å; E468-R475 PolarHBondContact OE2-NH1 2.6Å; E468-R475 IonicContact OE2-NH2 2.87Å; E468-R475 PolarHBondContact OE2-NH2 3.34Å; S471-R475 PolarHBondContact OG-NH2 2.99Å; A472-R475 PolarHBondContact O-N 3.44Å
476	H	56.8	Low	80	Confident	195 Å²	195	59.6 Å²	59.6	90%	0.903	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	139.9	170.3	-67.6	63.3	0	0	0	109.6
477	G	58.1	Low	80	Confident	58 Å²	58	57.7 Å²	57.7	60%	0.598	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	13	-179.8	0	0	0	0	0	115.7	P479 K480	G477-P479 WeakPolarHBondContact O-CD 3.34Å; G477-K480 PolarHBondContact O-N 3.33Å
478	A	67	Low	80.2	Confident	9 Å²	9	51.1 Å²	51.1	7%	0.074	29%	0.292	C	S	.	.	H	α-helix	trans	-48.3	-39.5	-175.2	0	0	0	0	0	116.5	A472 K480 S481 V482 Y505	A472-A478 HydrophobicContact CB-CB 4.39Å; A472-A478 WeakPolarHBondContact O-CB 3.44Å; A478-K480 PolarHBondContact O-N 3Å; A478-S481 WeakPolarHBondContact CA-OG 3.46Å; A478-S481 PolarHBondContact O-N 2.83Å; A478-S481 PolarHBondContact O-OG 3.44Å; A478-V482 VanDerWaalsContact O-CB 3.29Å; A478-V482 WeakPolarHBondContact O-CB 3.33Å; A478-V482 WeakPolarHBondContact O-CG2 3.34Å; A478-V482 PolarHBondContact O-N 3.05Å; A478-Y505 HydrophobicContact CB-CE2 4.11Å
479	P	70.8	Confident	80.4	Confident	76 Å²	76	49.9 Å²	49.9	49%	0.494	29%	0.286	S	S	.	.	H	α-helix	trans	-62.7	-41.3	-172.6	-25	34.5	0	0	0	113.9	G477 K483	G477-P479 WeakPolarHBondContact O-CD 3.34Å; P479-K483 WeakPolarHBondContact O-CB 3.48Å; P479-K483 PolarHBondContact O-N 2.84Å
480	K	76.6	Confident	80.5	Confident	182 Å²	182	50 Å²	50	79%	0.791	29%	0.287	S	S	*	.	H	α-helix	trans	-70.1	-42.1	180	-69	-174.9	179.9	-178.7	0	111.3	G477 A478 A484	G477-K480 PolarHBondContact O-N 3.33Å; A478-K480 PolarHBondContact O-N 3Å; K480-A484 WeakPolarHBondContact O-CB 3.3Å; K480-A484 PolarHBondContact O-N 3.18Å
481	S	82.6	Confident	80.7	Confident	58 Å²	58	49.5 Å²	49.5	41%	0.406	28%	0.282	S	S	.	.	H	α-helix	trans	-66.9	-38.5	177.4	54	0	0	0	0	112	A478 A484 A485	A478-S481 WeakPolarHBondContact CA-OG 3.46Å; A478-S481 PolarHBondContact O-N 2.83Å; A478-S481 PolarHBondContact O-OG 3.44Å; S481-A484 PolarHBondContact O-N 3.12Å; S481-A485 VanDerWaalsContact O-CB 3.29Å; S481-A485 WeakPolarHBondContact O-CB 3.17Å; S481-A485 PolarHBondContact O-N 3.37Å
482	V	86.6	Confident	80.9	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.012	28%	0.28	C	S	.	.	H	α-helix	trans	-64.6	-49.4	176.7	168.1	0	0	0	0	110.5	L469 A472 A478 A484 A485 V486 F502 Y505	L469-V482 HydrophobicContact CD2-CB 4.13Å; L469-V482 HydrophobicContact CD2-CG1 3.8Å; L469-V482 HydrophobicContact CD2-CG2 4.06Å; A472-V482 HydrophobicContact CB-CG2 3.55Å; A478-V482 VanDerWaalsContact O-CB 3.29Å; A478-V482 WeakPolarHBondContact O-CB 3.33Å; A478-V482 WeakPolarHBondContact O-CG2 3.34Å; A478-V482 PolarHBondContact O-N 3.05Å; V482-A484 VanDerWaalsContact C-N 3.32Å; V482-A484 PolarHBondContact O-N 3.46Å; V482-A485 PolarHBondContact O-N 3.46Å; V482-V486 HydrophobicContact CG1-CG2 4.4Å; V482-V486 WeakPolarHBondContact O-CG2 3.48Å; V482-V486 PolarHBondContact O-N 2.88Å; V482-F502 HydrophobicContact CG1-CD2 3.6Å; V482-F502 HydrophobicContact CG1-CE2 3.86Å; V482-Y505 HydrophobicContact CB-CE1 4.43Å; V482-Y505 HydrophobicContact CG1-CD1 3.98Å; V482-Y505 HydrophobicContact CG1-CE1 4.09Å; V482-Y505 HydrophobicContact CG2-CD1 4.08Å; V482-Y505 HydrophobicContact CG2-CD2 4.1Å; V482-Y505 HydrophobicContact CG2-CE1 3.93Å; V482-Y505 HydrophobicContact CG2-CE2 3.94Å; V482-Y505 HydrophobicContact CG2-CG 4.16Å
483	K	88.9	Confident	81.2	Confident	99 Å²	99	51.7 Å²	51.7	43%	0.43	31%	0.305	S	S	.	.	H	α-helix	trans	-57.6	-46.1	176.8	-174.4	174.9	-178.4	175.2	0	111.5	P479 A485 V486 S487	P479-K483 WeakPolarHBondContact O-CB 3.48Å; P479-K483 PolarHBondContact O-N 2.84Å; K483-A485 PolarHBondContact O-N 3.2Å; K483-V486 PolarHBondContact O-N 3.25Å; K483-S487 PolarHBondContact O-N 2.88Å; K483-S487 PolarHBondContact O-OG 2.79Å
484	A	88.7	Confident	81.9	Confident	47 Å²	47	53.3 Å²	53.3	39%	0.388	31%	0.309	S	S	.	.	H	α-helix	trans	-61.3	-44.1	177.4	0	0	0	0	0	112.2	K480 S481 V482 S487 Q488	K480-A484 WeakPolarHBondContact O-CB 3.3Å; K480-A484 PolarHBondContact O-N 3.18Å; S481-A484 PolarHBondContact O-N 3.12Å; V482-A484 VanDerWaalsContact C-N 3.32Å; V482-A484 PolarHBondContact O-N 3.46Å; A484-S487 PolarHBondContact O-N 3.3Å; A484-Q488 VanDerWaalsContact O-CG 3.25Å; A484-Q488 WeakPolarHBondContact O-CG 3.37Å; A484-Q488 PolarHBondContact O-N 3.15Å; A484-Q488 PolarHBondContact O-NE2 3.38Å
485	A	89.8	Confident	82.7	Confident	8 Å²	8	49.5 Å²	49.5	7%	0.066	28%	0.284	C	S	.	.	H	α-helix	trans	-65.5	-41	178.9	0	0	0	0	0	112.6	L465 L469 S481 V482 K483 Q488 L489	L465-A485 HydrophobicContact CD2-CB 4.04Å; L469-A485 HydrophobicContact CD1-CB 4.34Å; L469-A485 HydrophobicContact CD2-CB 3.89Å; L469-A485 HydrophobicContact CG-CB 3.94Å; S481-A485 VanDerWaalsContact O-CB 3.29Å; S481-A485 WeakPolarHBondContact O-CB 3.17Å; S481-A485 PolarHBondContact O-N 3.37Å; V482-A485 PolarHBondContact O-N 3.46Å; K483-A485 PolarHBondContact O-N 3.2Å; A485-Q488 PolarHBondContact O-N 3.4Å; A485-L489 WeakPolarHBondContact O-CG 3.32Å; A485-L489 PolarHBondContact O-N 3.4Å
486	V	92.1	Very high	83.6	Confident	0 Å²	0	48 Å²	48	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60.7	-47.7	174.2	171.2	0	0	0	0	110.5	L469 V482 K483 Q488 L489 G490 A498 F502 S549 V550 L554	L469-V486 HydrophobicContact CD2-CG2 4.29Å; V482-V486 HydrophobicContact CG1-CG2 4.4Å; V482-V486 WeakPolarHBondContact O-CG2 3.48Å; V482-V486 PolarHBondContact O-N 2.88Å; K483-V486 PolarHBondContact O-N 3.25Å; V486-Q488 VanDerWaalsContact C-N 3.34Å; V486-Q488 PolarHBondContact O-N 2.98Å; V486-L489 PolarHBondContact O-N 2.99Å; V486-G490 PolarHBondContact O-N 3.49Å; V486-A498 HydrophobicContact CG1-CB 4.21Å; V486-F502 HydrophobicContact CG2-CB 4.25Å; V486-F502 HydrophobicContact CG2-CD2 4.21Å; V486-S549 WeakPolarHBondContact CG1-O 3.39Å; V486-V550 HydrophobicContact CG1-CG2 4.36Å; V486-L554 HydrophobicContact CG1-CD1 4.08Å; V486-L554 HydrophobicContact CG1-CD2 4.17Å; V486-L554 HydrophobicContact CG1-CG 4.1Å
487	S	91.5	Very high	85.2	Confident	26 Å²	26	41 Å²	41	18%	0.182	26%	0.256	C	S	.	.	H	α-helix	trans	-60.1	-42.2	175.8	-62.1	0	0	0	0	112.2	K483 A484 G490 L491	K483-S487 PolarHBondContact O-N 2.88Å; K483-S487 PolarHBondContact O-OG 2.79Å; A484-S487 PolarHBondContact O-N 3.3Å; S487-G490 PolarHBondContact O-N 2.9Å; S487-L491 WeakPolarHBondContact O-CG 3.21Å; S487-L491 PolarHBondContact O-N 2.87Å
488	Q	92.5	Very high	86.8	Confident	7 Å²	7	38.3 Å²	38.3	3%	0.033	23%	0.227	C	C	.	.	H	α-helix	trans	-62.2	-47.6	177.2	-66.5	-26	-71	0	0	112	F393 T397 L465 A484 A485 V486 G490 L491 L492	F393-Q488 HydrophobicContact CB-CG 4.47Å; T397-Q488 HydrophobicContact CG2-CB 4.32Å; T397-Q488 PolarHBondContact OG1-OE1 3.24Å; L465-Q488 HydrophobicContact CD1-CB 3.94Å; L465-Q488 HydrophobicContact CD2-CB 4.4Å; A484-Q488 VanDerWaalsContact O-CG 3.25Å; A484-Q488 WeakPolarHBondContact O-CG 3.37Å; A484-Q488 PolarHBondContact O-N 3.15Å; A484-Q488 PolarHBondContact O-NE2 3.38Å; A485-Q488 PolarHBondContact O-N 3.4Å; V486-Q488 VanDerWaalsContact C-N 3.34Å; V486-Q488 PolarHBondContact O-N 2.98Å; Q488-G490 PolarHBondContact O-N 3.2Å; Q488-L491 PolarHBondContact O-N 3.42Å; Q488-L491 VanDerWaalsContact O-N 3.15Å; Q488-L492 WeakPolarHBondContact O-CG 3.45Å; Q488-L492 PolarHBondContact O-N 3Å
489	L	92.2	Very high	88	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.3	-35.9	176.6	-72.6	175.2	0	0	0	111.9	T462 L465 L469 A485 V486 L492 G493 K494 A498 L501	T462-L489 HydrophobicContact CG2-CD2 3.93Å; L465-L489 HydrophobicContact CB-CD1 4.47Å; L465-L489 HydrophobicContact CB-CD2 3.85Å; L465-L489 HydrophobicContact CB-CG 4.13Å; L465-L489 HydrophobicContact CD1-CD2 3.75Å; L465-L489 HydrophobicContact CD1-CG 4.02Å; L465-L489 HydrophobicContact CG-CD2 4.46Å; L469-L489 HydrophobicContact CD1-CD1 3.56Å; A485-L489 WeakPolarHBondContact O-CG 3.32Å; A485-L489 PolarHBondContact O-N 3.4Å; V486-L489 PolarHBondContact O-N 2.99Å; L489-L492 PolarHBondContact O-N 3.24Å; L489-G493 PolarHBondContact O-N 3.2Å; L489-K494 WeakPolarHBondContact O-CA 3.45Å; L489-K494 PolarHBondContact O-N 3.1Å; L489-A498 HydrophobicContact CB-CB 3.62Å; L489-A498 HydrophobicContact CD1-CB 3.94Å; L489-A498 HydrophobicContact CG-CB 4.46Å; L489-L501 HydrophobicContact CD1-CD1 3.83Å
490	G	89.7	Confident	89	Confident	3 Å²	3	38.2 Å²	38.2	3%	0.031	22%	0.219	C	C	.	.	H	α-helix	trans	-59.5	-47.8	171.7	0	0	0	0	0	112.9	V486 S487 Q488 L492 G493 L554	V486-G490 PolarHBondContact O-N 3.49Å; S487-G490 PolarHBondContact O-N 2.9Å; Q488-G490 PolarHBondContact O-N 3.2Å; G490-L492 VanDerWaalsContact C-N 3.3Å; G490-L492 PolarHBondContact O-N 2.96Å; G490-G493 WeakPolarHBondContact O-CA 3.45Å; G490-G493 PolarHBondContact O-N 3.08Å; G490-L554 VanDerWaalsContact CA-CD2 3.45Å
491	L	90.1	Very high	89.7	Confident	51 Å²	51	30.3 Å²	30.3	27%	0.267	19%	0.185	S	C	.	.	H	α-helix	trans	-60.8	-39.2	177.9	-70.9	174.8	0	0	0	112.1	T397 V401 S487 Q488 G493 I557 K561	T397-L491 HydrophobicContact CG2-CB 3.72Å; T397-L491 HydrophobicContact CG2-CD1 4.08Å; V401-L491 HydrophobicContact CG2-CB 4.33Å; S487-L491 WeakPolarHBondContact O-CG 3.21Å; S487-L491 PolarHBondContact O-N 2.87Å; Q488-L491 PolarHBondContact O-N 3.42Å; Q488-L491 VanDerWaalsContact O-N 3.15Å; L491-G493 PolarHBondContact O-N 3.35Å; L491-G493 VanDerWaalsContact O-N 3.13Å; L491-I557 HydrophobicContact CD2-CD1 4.13Å; L491-I557 HydrophobicContact CD2-CG1 4.07Å; L491-I557 HydrophobicContact CD2-CG2 4.13Å; L491-I557 HydrophobicContact CG-CD1 4.11Å; L491-K561 PolarHBondContact O-NZ 2.9Å
492	L	89.3	Confident	90.3	Very high	13 Å²	13	27.6 Å²	27.6	7%	0.068	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-7.6	173.5	-62.7	178.6	0	0	0	113.9	T397 I400 E458 L461 L465 Q488 L489 G490	T397-L492 HydrophobicContact CG2-CD2 3.95Å; T397-L492 HydrophobicContact CG2-CG 4.09Å; I400-L492 HydrophobicContact CB-CD2 4.2Å; I400-L492 HydrophobicContact CD1-CD2 4.15Å; I400-L492 HydrophobicContact CG2-CD2 3.88Å; E458-L492 HydrophobicContact CG-CD2 4.27Å; L461-L492 HydrophobicContact CD2-CD1 3.92Å; L461-L492 HydrophobicContact CD2-CD2 4.33Å; L461-L492 HydrophobicContact CG-CD1 4.27Å; L465-L492 HydrophobicContact CD1-CD1 4.14Å; Q488-L492 WeakPolarHBondContact O-CG 3.45Å; Q488-L492 PolarHBondContact O-N 3Å; L489-L492 PolarHBondContact O-N 3.24Å; G490-L492 VanDerWaalsContact C-N 3.3Å; G490-L492 PolarHBondContact O-N 2.96Å
493	G	86.9	Confident	90.6	Very high	54 Å²	54	28 Å²	28	56%	0.557	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.3	16.4	-178.9	0	0	0	0	0	114.1	L489 G490 L491	L489-G493 PolarHBondContact O-N 3.2Å; G490-G493 WeakPolarHBondContact O-CA 3.45Å; G490-G493 PolarHBondContact O-N 3.08Å; L491-G493 PolarHBondContact O-N 3.35Å; L491-G493 VanDerWaalsContact O-N 3.13Å
494	K	89.1	Confident	90.8	Very high	52 Å²	52	26.3 Å²	26.3	23%	0.226	17%	0.166	C	C	.	.			trans	-110.3	46.5	-177.5	-60.1	-177.8	-175.5	177.3	0	111.8	E458 T462 L489 S496 L497 A498	E458-K494 WeakPolarHBondContact OE1-CE 3.4Å; E458-K494 IonicContact OE1-NZ 2.78Å; T462-K494 HydrophobicContact CG2-CD 3.51Å; T462-K494 PolarHBondContact OG1-NZ 3.4Å; L489-K494 WeakPolarHBondContact O-CA 3.45Å; L489-K494 PolarHBondContact O-N 3.1Å; K494-S496 PolarHBondContact O-N 3.01Å; K494-L497 HydrophobicContact CB-CB 4.35Å; K494-L497 HydrophobicContact CD-CD2 4.45Å; K494-L497 PolarHBondContact O-N 2.93Å; K494-A498 PolarHBondContact O-N 3.4Å
495	A	89	Confident	91	Very high	13 Å²	13	24.6 Å²	24.6	11%	0.107	15%	0.15	C	C	.	.	H	α-helix	trans	-61.1	-42.8	-175.3	0	0	0	0	0	113.5	L497 A498 A499 L554 L558 F570	A495-L497 PolarHBondContact O-N 3.26Å; A495-A498 WeakPolarHBondContact O-CB 3.33Å; A495-A498 PolarHBondContact O-N 3.41Å; A495-A499 WeakPolarHBondContact O-CB 3.48Å; A495-A499 PolarHBondContact O-N 3.36Å; A495-L554 HydrophobicContact CB-CD1 4.19Å; A495-L554 HydrophobicContact CB-CD2 4.35Å; A495-L558 HydrophobicContact CB-CD1 4.47Å; A495-F570 HydrophobicContact CB-CE2 3.99Å; A495-F570 HydrophobicContact CB-CZ 4.38Å
496	S	88.2	Confident	91.2	Very high	55 Å²	55	24.5 Å²	24.5	39%	0.385	15%	0.148	S	C	.	.	H	α-helix	trans	-61.6	-44.7	178	-174	0	0	0	0	112.1	K494 A498 A499 E500 K577	K494-S496 PolarHBondContact O-N 3.01Å; S496-A498 VanDerWaalsContact C-N 3.34Å; S496-A499 WeakPolarHBondContact O-CB 3.37Å; S496-A499 PolarHBondContact O-N 2.98Å; S496-E500 WeakPolarHBondContact O-CG 3.22Å; S496-E500 PolarHBondContact O-N 2.98Å; S496-E500 PolarHBondContact OG-OE1 3.31Å; S496-K577 VanDerWaalsContact OG-CE 3.23Å; S496-K577 WeakPolarHBondContact OG-CE 3.46Å; S496-K577 PolarHBondContact OG-NZ 3.49Å
497	L	90.3	Very high	91.3	Very high	49 Å²	49	25.3 Å²	25.3	26%	0.257	15%	0.153	S	C	.	.	H	α-helix	trans	-63.8	-41.4	177.1	177.8	63.3	0	0	0	111	T462 Q466 K494 A495 A499 E500 L501	T462-L497 HydrophobicContact CG2-CD2 4.04Å; Q466-L497 HydrophobicContact CG-CD2 4.41Å; K494-L497 HydrophobicContact CB-CB 4.35Å; K494-L497 HydrophobicContact CD-CD2 4.45Å; K494-L497 PolarHBondContact O-N 2.93Å; A495-L497 PolarHBondContact O-N 3.26Å; L497-A499 VanDerWaalsContact C-N 3.3Å; L497-A499 PolarHBondContact O-N 3.47Å; L497-E500 PolarHBondContact O-N 2.81Å; L497-L501 HydrophobicContact CD1-CD1 3.96Å; L497-L501 HydrophobicContact CD1-CG 4.05Å; L497-L501 HydrophobicContact CD2-CD1 4.47Å; L497-L501 HydrophobicContact CG-CD1 3.77Å; L497-L501 HydrophobicContact CG-CG 4.32Å; L497-L501 WeakPolarHBondContact O-CB 3.45Å; L497-L501 WeakPolarHBondContact O-CD1 3.29Å; L497-L501 WeakPolarHBondContact O-CG 3.07Å; L497-L501 PolarHBondContact O-N 2.89Å
498	A	91.7	Very high	91.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59	-43.3	176	0	0	0	0	0	112	V486 L489 K494 A495 S496 F502 L554	V486-A498 HydrophobicContact CG1-CB 4.21Å; L489-A498 HydrophobicContact CB-CB 3.62Å; L489-A498 HydrophobicContact CD1-CB 3.94Å; L489-A498 HydrophobicContact CG-CB 4.46Å; K494-A498 PolarHBondContact O-N 3.4Å; A495-A498 WeakPolarHBondContact O-CB 3.33Å; A495-A498 PolarHBondContact O-N 3.41Å; S496-A498 VanDerWaalsContact C-N 3.34Å; A498-F502 WeakPolarHBondContact O-CB 3.33Å; A498-F502 PolarHBondContact O-N 3.35Å; A498-L554 HydrophobicContact CB-CD1 4.34Å
499	A	91.3	Very high	91.1	Very high	1 Å²	1	28 Å²	28	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-64.5	-45	178	0	0	0	0	0	111.7	A495 S496 L497 F502 L503 W546 V550	A495-A499 WeakPolarHBondContact O-CB 3.48Å; A495-A499 PolarHBondContact O-N 3.36Å; S496-A499 WeakPolarHBondContact O-CB 3.37Å; S496-A499 PolarHBondContact O-N 2.98Å; L497-A499 VanDerWaalsContact C-N 3.3Å; L497-A499 PolarHBondContact O-N 3.47Å; A499-F502 PolarHBondContact O-N 3.26Å; A499-L503 WeakPolarHBondContact O-CG 3.49Å; A499-L503 PolarHBondContact O-N 3.25Å; A499-W546 HydrophobicContact CB-CH2 3.72Å; A499-W546 HydrophobicContact CB-CZ3 4.18Å; A499-W546 WeakPolarHBondContact O-CZ3 3.49Å; A499-V550 HydrophobicContact CB-CG1 3.81Å
500	E	91.8	Very high	91	Very high	83 Å²	83	28.1 Å²	28.1	39%	0.388	17%	0.166	S	C	.	.	H	α-helix	trans	-62.2	-46.6	175.4	-73.4	165.2	-155.6	0	0	112.3	S496 L497 F502 L503 V504 K577	S496-E500 WeakPolarHBondContact O-CG 3.22Å; S496-E500 PolarHBondContact O-N 2.98Å; S496-E500 PolarHBondContact OG-OE1 3.31Å; L497-E500 PolarHBondContact O-N 2.81Å; E500-F502 VanDerWaalsContact C-N 3.29Å; E500-F502 PolarHBondContact O-N 2.87Å; E500-L503 PolarHBondContact O-N 2.76Å; E500-L503 VanDerWaalsContact O-N 3.15Å; E500-V504 WeakPolarHBondContact O-CG2 3.18Å; E500-V504 PolarHBondContact O-N 2.85Å; E500-K577 HydrophobicContact CG-CD 4.5Å; E500-K577 IonicContact OE1-NZ 3.74Å; E500-K577 PolarHBondContact OE1-NZ 3.39Å
501	L	92	Very high	91	Very high	16 Å²	16	31.4 Å²	31.4	8%	0.084	19%	0.185	C	C	.	.	H	α-helix	trans	-65	-33.7	178.9	-68.6	166	0	0	0	112.6	Q466 L469 V470 L489 L497 V504 Y505	Q466-L501 HydrophobicContact CB-CD1 4.35Å; Q466-L501 HydrophobicContact CG-CD1 3.52Å; Q466-L501 HydrophobicContact CG-CD2 4.19Å; Q466-L501 HydrophobicContact CG-CG 4.47Å; L469-L501 HydrophobicContact CB-CB 4.15Å; L469-L501 HydrophobicContact CD1-CB 3.69Å; L469-L501 HydrophobicContact CD1-CD1 3.92Å; L469-L501 HydrophobicContact CD1-CG 4.48Å; V470-L501 HydrophobicContact CG2-CD2 3.95Å; L489-L501 HydrophobicContact CD1-CD1 3.83Å; L497-L501 HydrophobicContact CD1-CD1 3.96Å; L497-L501 HydrophobicContact CD1-CG 4.05Å; L497-L501 HydrophobicContact CD2-CD1 4.47Å; L497-L501 HydrophobicContact CG-CD1 3.77Å; L497-L501 HydrophobicContact CG-CG 4.32Å; L497-L501 WeakPolarHBondContact O-CB 3.45Å; L497-L501 WeakPolarHBondContact O-CD1 3.29Å; L497-L501 WeakPolarHBondContact O-CG 3.07Å; L497-L501 PolarHBondContact O-N 2.89Å; L501-V504 PolarHBondContact O-N 2.96Å; L501-Y505 PolarHBondContact O-N 2.85Å
502	F	94	Very high	90.8	Very high	1 Å²	1	32.4 Å²	32.4	0%	0.004	19%	0.188	C	C	.	.	H	α-helix	trans	-62.3	-44.5	172.8	177.9	-87.9	0	0	0	111.2	V482 V486 A498 A499 E500 V504 Y505 R506 E545 W546 V550	V482-F502 HydrophobicContact CG1-CD2 3.6Å; V482-F502 HydrophobicContact CG1-CE2 3.86Å; V486-F502 HydrophobicContact CG2-CB 4.25Å; V486-F502 HydrophobicContact CG2-CD2 4.21Å; A498-F502 WeakPolarHBondContact O-CB 3.33Å; A498-F502 PolarHBondContact O-N 3.35Å; A499-F502 PolarHBondContact O-N 3.26Å; E500-F502 VanDerWaalsContact C-N 3.29Å; E500-F502 PolarHBondContact O-N 2.87Å; F502-V504 VanDerWaalsContact C-N 3.34Å; F502-V504 PolarHBondContact O-N 3.47Å; F502-Y505 HydrophobicContact CD2-CD1 4.47Å; F502-Y505 HydrophobicContact CE2-CD1 4.46Å; F502-Y505 WeakPolarHBondContact O-CB 3.23Å; F502-Y505 PolarHBondContact O-N 3.41Å; F502-R506 HydrophobicContact CD1-CG 4.03Å; F502-R506 HydrophobicContact CE1-CG 3.54Å; F502-R506 HydrophobicContact CZ-CG 3.81Å; F502-R506 WeakPolarHBondContact O-CG 3.32Å; F502-R506 PolarHBondContact O-N 2.84Å; F502-E545 HydrophobicContact CZ-CB 3.85Å; F502-W546 AromaticContact CD1-CE3 3.53Å; F502-W546 HydrophobicContact CD1-CE3 3.53Å; F502-W546 AromaticContact CD1-CZ3 3.9Å; F502-W546 HydrophobicContact CD1-CZ3 3.9Å; F502-W546 HydrophobicContact CE1-CB 4.32Å; F502-W546 AromaticContact CE1-CE3 3.86Å; F502-W546 HydrophobicContact CE1-CE3 3.86Å; F502-W546 HydrophobicContact CG-CE3 4.5Å; F502-V550 HydrophobicContact CB-CG2 3.85Å; F502-V550 HydrophobicContact CD1-CG2 3.64Å; F502-V550 HydrophobicContact CD2-CG2 3.83Å; F502-V550 HydrophobicContact CE1-CG2 4.12Å; F502-V550 HydrophobicContact CE2-CG2 4.31Å; F502-V550 HydrophobicContact CG-CG2 3.47Å; F502-V550 VanDerWaalsContact CG-CG2 3.47Å; F502-V550 HydrophobicContact CZ-CG2 4.44Å
503	L	94.7	Very high	90.7	Very high	10 Å²	10	33.6 Å²	33.6	5%	0.052	20%	0.197	C	C	.	.	H	α-helix	trans	-65	-38.6	176.6	-66.7	173.2	0	0	0	111.6	A499 E500 Y505 R506 S507 W546 K577 F578 W581	A499-L503 WeakPolarHBondContact O-CG 3.49Å; A499-L503 PolarHBondContact O-N 3.25Å; E500-L503 PolarHBondContact O-N 2.76Å; E500-L503 VanDerWaalsContact O-N 3.15Å; L503-Y505 PolarHBondContact O-N 3.06Å; L503-R506 PolarHBondContact O-N 3.44Å; L503-S507 PolarHBondContact O-N 3.03Å; L503-S507 PolarHBondContact O-OG 3.34Å; L503-W546 HydrophobicContact CD1-CH2 3.87Å; L503-W546 HydrophobicContact CD1-CZ3 3.9Å; L503-W546 HydrophobicContact CD2-CE3 3.78Å; L503-W546 HydrophobicContact CD2-CH2 4.36Å; L503-W546 HydrophobicContact CD2-CZ3 3.69Å; L503-W546 HydrophobicContact CG-CE3 4.17Å; L503-W546 HydrophobicContact CG-CH2 4.08Å; L503-W546 HydrophobicContact CG-CZ3 3.55Å; L503-K577 HydrophobicContact CD1-CB 4.37Å; L503-F578 HydrophobicContact CD2-CD2 4.24Å; L503-W581 HydrophobicContact CB-CD2 4.47Å; L503-W581 HydrophobicContact CB-CG 4.02Å; L503-W581 HydrophobicContact CD1-CB 3.87Å; L503-W581 HydrophobicContact CD1-CG 4.09Å; L503-W581 HydrophobicContact CD2-CB 4.31Å; L503-W581 HydrophobicContact CD2-CD2 3.76Å; L503-W581 HydrophobicContact CD2-CE3 4.07Å; L503-W581 HydrophobicContact CD2-CG 3.86Å; L503-W581 HydrophobicContact CG-CB 4.49Å; L503-W581 HydrophobicContact CG-CG 4.19Å; L503-W581 PolarHBondContact O-NE1 3.31Å
504	V	92.9	Very high	90.8	Very high	64 Å²	64	31.5 Å²	31.5	39%	0.388	17%	0.173	S	C	.	.	H	α-helix	trans	-59.5	-45.2	171.8	172.1	0	0	0	0	111.3	V470 E500 L501 F502 R506 S507 Q508	V470-V504 HydrophobicContact CG2-CG1 4.46Å; E500-V504 WeakPolarHBondContact O-CG2 3.18Å; E500-V504 PolarHBondContact O-N 2.85Å; L501-V504 PolarHBondContact O-N 2.96Å; F502-V504 VanDerWaalsContact C-N 3.34Å; F502-V504 PolarHBondContact O-N 3.47Å; V504-R506 PolarHBondContact O-N 3.34Å; V504-S507 PolarHBondContact O-N 3.36Å; V504-Q508 WeakPolarHBondContact O-CG 3.48Å; V504-Q508 PolarHBondContact O-N 3.33Å; V504-Q508 VanDerWaalsContact O-N 3.09Å
505	Y	92.9	Very high	90.4	Very high	10 Å²	10	32.5 Å²	32.5	4%	0.039	18%	0.184	C	C	.	.	H	α-helix	trans	-57.2	-47.2	173.8	158.5	-106	0	0	0	111.5	A472 A473 A478 V482 L501 F502 L503 Q508 V509	A472-Y505 HydrophobicContact CB-CD2 3.65Å; A472-Y505 HydrophobicContact CB-CE2 3.76Å; A473-Y505 HydrophobicContact CB-CD2 4.11Å; A473-Y505 HydrophobicContact CB-CE2 4.27Å; A478-Y505 HydrophobicContact CB-CE2 4.11Å; V482-Y505 HydrophobicContact CB-CE1 4.43Å; V482-Y505 HydrophobicContact CG1-CD1 3.98Å; V482-Y505 HydrophobicContact CG1-CE1 4.09Å; V482-Y505 HydrophobicContact CG2-CD1 4.08Å; V482-Y505 HydrophobicContact CG2-CD2 4.1Å; V482-Y505 HydrophobicContact CG2-CE1 3.93Å; V482-Y505 HydrophobicContact CG2-CE2 3.94Å; V482-Y505 HydrophobicContact CG2-CG 4.16Å; L501-Y505 PolarHBondContact O-N 2.85Å; F502-Y505 HydrophobicContact CD2-CD1 4.47Å; F502-Y505 HydrophobicContact CE2-CD1 4.46Å; F502-Y505 WeakPolarHBondContact O-CB 3.23Å; F502-Y505 PolarHBondContact O-N 3.41Å; L503-Y505 PolarHBondContact O-N 3.06Å; Y505-Q508 WeakPolarHBondContact O-CB 3.5Å; Y505-Q508 PolarHBondContact O-N 3Å; Y505-V509 HydrophobicContact CD2-CG2 4.01Å; Y505-V509 HydrophobicContact CE1-CG2 4.32Å; Y505-V509 HydrophobicContact CE2-CG2 3.5Å; Y505-V509 WeakPolarHBondContact O-CG2 3.46Å; Y505-V509 PolarHBondContact O-N 3.47Å
506	R	93	Very high	89.8	Confident	6 Å²	6	38.3 Å²	38.3	2%	0.023	21%	0.208	C	C	.	.	H	α-helix	trans	-65.3	-41	179	-66.6	-64.1	-57	177.1	3.3	112.6	F502 L503 V504 Q508 V509 M510 N538 T542 E545 W581	F502-R506 HydrophobicContact CD1-CG 4.03Å; F502-R506 HydrophobicContact CE1-CG 3.54Å; F502-R506 HydrophobicContact CZ-CG 3.81Å; F502-R506 WeakPolarHBondContact O-CG 3.32Å; F502-R506 PolarHBondContact O-N 2.84Å; L503-R506 PolarHBondContact O-N 3.44Å; V504-R506 PolarHBondContact O-N 3.34Å; R506-Q508 VanDerWaalsContact C-N 3.26Å; R506-Q508 PolarHBondContact O-N 3.46Å; R506-V509 PolarHBondContact O-N 2.88Å; R506-M510 WeakPolarHBondContact O-CB 3.02Å; R506-M510 PolarHBondContact O-N 3.39Å; R506-N538 PolarHBondContact NH2-O 2.6Å; R506-T542 HydrophobicContact CB-CG2 3.77Å; R506-T542 HydrophobicContact CG-CG2 3.63Å; R506-T542 VanDerWaalsContact CZ-OG1 3.31Å; R506-T542 PolarHBondContact NE-OG1 2.91Å; R506-T542 PolarHBondContact NH2-OG1 3.21Å; R506-E545 IonicContact CZ-OE1 3.73Å; R506-E545 IonicContact CZ-OE2 2.93Å; R506-E545 IonicContact NE-OE2 3.48Å; R506-E545 IonicContact NH1-OE1 3.43Å; R506-E545 PolarHBondContact NH1-OE1 3.4Å; R506-E545 IonicContact NH1-OE2 3.16Å; R506-E545 PolarHBondContact NH1-OE2 3Å; R506-W581 HydrophobicContact CB-CH2 4.36Å; R506-W581 HydrophobicContact CB-CZ2 3.92Å
507	S	93.7	Very high	88.8	Confident	17 Å²	17	38.3 Å²	38.3	12%	0.119	22%	0.217	C	C	.	.	H	α-helix	trans	-55.9	-42.5	172.4	-67.5	0	0	0	0	111.5	L503 V504 T511 W581 E585	L503-S507 PolarHBondContact O-N 3.03Å; L503-S507 PolarHBondContact O-OG 3.34Å; V504-S507 PolarHBondContact O-N 3.36Å; S507-T511 VanDerWaalsContact O-CB 3.28Å; S507-T511 WeakPolarHBondContact O-CB 3.4Å; S507-T511 PolarHBondContact O-N 2.8Å; S507-T511 PolarHBondContact O-OG1 2.89Å; S507-W581 PolarHBondContact OG-NE1 3.31Å; S507-E585 WeakPolarHBondContact CB-OE1 3.46Å; S507-E585 PolarHBondContact OG-OE1 3.16Å
508	Q	91	Very high	88.1	Confident	53 Å²	53	36.3 Å²	36.3	25%	0.248	21%	0.207	C	C	.	.	H	α-helix	trans	-69.7	-41.8	178.8	-68.1	174.3	10.4	0	0	112.6	V470 A473 V504 Y505 R506 M510 T511 K512	V470-Q508 PolarHBondContact O-NE2 3.05Å; V470-Q508 PolarHBondContact O-OE1 2.93Å; A473-Q508 HydrophobicContact CB-CB 3.67Å; V504-Q508 WeakPolarHBondContact O-CG 3.48Å; V504-Q508 PolarHBondContact O-N 3.33Å; V504-Q508 VanDerWaalsContact O-N 3.09Å; Y505-Q508 WeakPolarHBondContact O-CB 3.5Å; Y505-Q508 PolarHBondContact O-N 3Å; R506-Q508 VanDerWaalsContact C-N 3.26Å; R506-Q508 PolarHBondContact O-N 3.46Å; Q508-M510 VanDerWaalsContact C-N 3.33Å; Q508-T511 PolarHBondContact O-N 3.1Å; Q508-K512 WeakPolarHBondContact O-CB 3.27Å; Q508-K512 VanDerWaalsContact O-CG 3.31Å; Q508-K512 WeakPolarHBondContact O-CG 3.34Å; Q508-K512 PolarHBondContact O-N 2.82Å
509	V	89.1	Confident	87.1	Confident	37 Å²	37	42.2 Å²	42.2	22%	0.224	23%	0.234	C	C	.	.	H	α-helix	trans	-58.5	-48.2	174.5	170.9	0	0	0	0	110.1	A473 Y505 R506 K512 S513	A473-V509 HydrophobicContact CB-CG2 3.88Å; Y505-V509 HydrophobicContact CD2-CG2 4.01Å; Y505-V509 HydrophobicContact CE1-CG2 4.32Å; Y505-V509 HydrophobicContact CE2-CG2 3.5Å; Y505-V509 WeakPolarHBondContact O-CG2 3.46Å; Y505-V509 PolarHBondContact O-N 3.47Å; R506-V509 PolarHBondContact O-N 2.88Å; V509-K512 PolarHBondContact O-N 2.87Å; V509-S513 WeakPolarHBondContact O-CB 3.49Å; V509-S513 PolarHBondContact O-N 2.78Å
510	M	90	Very high	86	Confident	3 Å²	3	47.4 Å²	47.4	2%	0.015	26%	0.258	C	S	.	.	H	α-helix	trans	-65.1	-45.6	179.4	-175	171.6	71.3	0	0	111.9	R506 Q508 K512 S513 L514 F535 N538 L539 E585	R506-M510 WeakPolarHBondContact O-CB 3.02Å; R506-M510 PolarHBondContact O-N 3.39Å; Q508-M510 VanDerWaalsContact C-N 3.33Å; M510-K512 VanDerWaalsContact C-N 3.29Å; M510-K512 PolarHBondContact O-N 2.85Å; M510-S513 WeakPolarHBondContact O-CB 3.29Å; M510-S513 PolarHBondContact O-N 2.93Å; M510-S513 VanDerWaalsContact O-N 3.12Å; M510-L514 HydrophobicContact CG-CD1 4.01Å; M510-L514 HydrophobicContact CG-CG 4.43Å; M510-L514 WeakPolarHBondContact O-CG 3.46Å; M510-L514 PolarHBondContact O-N 3.07Å; M510-F535 HydrophobicContact CE-CD2 4.22Å; M510-F535 HydrophobicContact CE-CE2 3.9Å; M510-F535 HydrophobicContact SD-CD2 3.71Å; M510-F535 HydrophobicContact SD-CE2 3.83Å; M510-N538 HydrophobicContact CB-CB 4.19Å; M510-N538 HydrophobicContact CG-CB 3.73Å; M510-N538 HydrophobicContact SD-CB 3.91Å; M510-L539 HydrophobicContact SD-CD2 4.3Å; M510-L539 HydrophobicContact SD-CG 4.48Å; M510-E585 HydrophobicContact CE-CB 3.57Å; M510-E585 HydrophobicContact CE-CG 3.65Å; M510-E585 WeakPolarHBondContact CE-OE2 3.3Å
511	T	89.9	Confident	84.6	Confident	71 Å²	71	48 Å²	48	44%	0.436	26%	0.261	S	S	.	.	H	α-helix	trans	-57.7	-43.8	176.9	-61	0	0	0	0	110.9	S507 Q508 L514 T515	S507-T511 VanDerWaalsContact O-CB 3.28Å; S507-T511 WeakPolarHBondContact O-CB 3.4Å; S507-T511 PolarHBondContact O-N 2.8Å; S507-T511 PolarHBondContact O-OG1 2.89Å; Q508-T511 PolarHBondContact O-N 3.1Å; T511-L514 PolarHBondContact O-N 3.35Å; T511-T515 HydrophobicContact CG2-CG2 4.31Å; T511-T515 WeakPolarHBondContact O-CB 3.13Å; T511-T515 VanDerWaalsContact O-CG2 3.31Å; T511-T515 WeakPolarHBondContact O-CG2 3.44Å; T511-T515 PolarHBondContact O-N 3.3Å; T511-T515 PolarHBondContact O-OG1 2.97Å
512	K	87.1	Confident	83.4	Confident	73 Å²	73	50.7 Å²	50.7	32%	0.317	29%	0.293	S	S	.	.	H	α-helix	trans	-65.1	-42.2	175.5	-74	-178.7	-177.7	-169.1	0	112.4	A473 C474 Q508 V509 M510 L514 T515 H516 G517	A473-K512 VanDerWaalsContact C-NZ 3.29Å; A473-K512 PolarHBondContact O-NZ 3.01Å; C474-K512 PolarHBondContact SG-NZ 3.42Å; Q508-K512 WeakPolarHBondContact O-CB 3.27Å; Q508-K512 VanDerWaalsContact O-CG 3.31Å; Q508-K512 WeakPolarHBondContact O-CG 3.34Å; Q508-K512 PolarHBondContact O-N 2.82Å; V509-K512 PolarHBondContact O-N 2.87Å; M510-K512 VanDerWaalsContact C-N 3.29Å; M510-K512 PolarHBondContact O-N 2.85Å; K512-L514 VanDerWaalsContact C-N 3.3Å; K512-L514 PolarHBondContact O-N 3.23Å; K512-T515 WeakPolarHBondContact CA-OG1 3.39Å; K512-T515 PolarHBondContact O-N 2.84Å; K512-T515 PolarHBondContact O-OG1 3.3Å; K512-H516 WeakPolarHBondContact O-CB 3.23Å; K512-H516 PolarHBondContact O-N 3.19Å; K512-G517 PolarHBondContact O-N 2.82Å
513	S	87	Confident	82.4	Confident	38 Å²	38	53.9 Å²	53.9	27%	0.266	31%	0.31	S	S	.	.	H	α-helix	trans	-59.3	-42.3	176.7	-169.8	0	0	0	0	111.4	V509 M510 G517 V518 T534 N538	V509-S513 WeakPolarHBondContact O-CB 3.49Å; V509-S513 PolarHBondContact O-N 2.78Å; M510-S513 WeakPolarHBondContact O-CB 3.29Å; M510-S513 PolarHBondContact O-N 2.93Å; M510-S513 VanDerWaalsContact O-N 3.12Å; S513-G517 CarbonylContact O-C 3.54Å; S513-G517 WeakPolarHBondContact O-CA 3.45Å; S513-G517 PolarHBondContact O-N 2.6Å; S513-V518 PolarHBondContact O-N 2.95Å; S513-T534 WeakPolarHBondContact OG-CG2 3.47Å; S513-N538 PolarHBondContact OG-ND2 3.37Å
514	L	87.7	Confident	81.8	Confident	9 Å²	9	55.3 Å²	55.3	5%	0.047	32%	0.316	C	S	.	.	H	α-helix	trans	-74.8	-34.7	179.1	-67.6	172.1	0	0	0	114	M510 T511 K512 L531 T534 F535 F589	M510-L514 HydrophobicContact CG-CD1 4.01Å; M510-L514 HydrophobicContact CG-CG 4.43Å; M510-L514 WeakPolarHBondContact O-CG 3.46Å; M510-L514 PolarHBondContact O-N 3.07Å; T511-L514 PolarHBondContact O-N 3.35Å; K512-L514 VanDerWaalsContact C-N 3.3Å; K512-L514 PolarHBondContact O-N 3.23Å; L514-L531 HydrophobicContact CD2-CD2 4.07Å; L514-T534 HydrophobicContact CD2-CG2 3.81Å; L514-T534 HydrophobicContact CG-CG2 4.47Å; L514-F535 HydrophobicContact CD1-CB 4.45Å; L514-F535 HydrophobicContact CD1-CD2 4.12Å; L514-F535 HydrophobicContact CD2-CB 3.96Å; L514-F589 HydrophobicContact CD1-CD2 4.34Å
515	T	82.4	Confident	81.3	Confident	73 Å²	73	52.9 Å²	52.9	45%	0.448	30%	0.301	S	S	.	.	H	α-helix	trans	-88.4	-39.3	-175.7	50.3	0	0	0	0	113.5	T511 K512	T511-T515 HydrophobicContact CG2-CG2 4.31Å; T511-T515 WeakPolarHBondContact O-CB 3.13Å; T511-T515 VanDerWaalsContact O-CG2 3.31Å; T511-T515 WeakPolarHBondContact O-CG2 3.44Å; T511-T515 PolarHBondContact O-N 3.3Å; T511-T515 PolarHBondContact O-OG1 2.97Å; K512-T515 WeakPolarHBondContact CA-OG1 3.39Å; K512-T515 PolarHBondContact O-N 2.84Å; K512-T515 PolarHBondContact O-OG1 3.3Å
516	H	75.4	Confident	80.7	Confident	135 Å²	135	53 Å²	53	63%	0.625	30%	0.302	S	S	*	.	H	α-helix	trans	-109	-27.4	-175.9	-60	79.1	0	0	0	112.5	K512 H519	K512-H516 WeakPolarHBondContact O-CB 3.23Å; K512-H516 PolarHBondContact O-N 3.19Å; H516-H519 PolarHBondContact O-CE1 3.38Å
517	G	67.8	Low	80.2	Confident	55 Å²	55	53.8 Å²	53.8	57%	0.567	31%	0.305	S	S	*	.	S	Bend	trans	-82.7	-22.4	-178.1	0	0	0	0	0	114	K512 S513	K512-G517 PolarHBondContact O-N 2.82Å; S513-G517 CarbonylContact O-C 3.54Å; S513-G517 WeakPolarHBondContact O-CA 3.45Å; S513-G517 PolarHBondContact O-N 2.6Å
518	V	75	Confident	79.9	Confident	8 Å²	8	53 Å²	53	5%	0.048	30%	0.3	C	S	.	.	S	Bend	trans	-112.6	100.8	177.9	-171	0	0	0	0	109	S513 Y527 K530 L531 T534	S513-V518 PolarHBondContact O-N 2.95Å; V518-Y527 HydrophobicContact CB-CE2 4.38Å; V518-Y527 HydrophobicContact CG1-CD2 3.69Å; V518-Y527 HydrophobicContact CG1-CE2 3.7Å; V518-K530 HydrophobicContact CG1-CB 3.67Å; V518-L531 HydrophobicContact CB-CD2 3.92Å; V518-L531 HydrophobicContact CG1-CD2 3.98Å; V518-L531 HydrophobicContact CG1-CG 4.08Å; V518-L531 HydrophobicContact CG2-CD2 4.2Å; V518-T534 HydrophobicContact CG2-CG2 4.02Å; V518-T534 WeakPolarHBondContact CG2-OG1 3.48Å
519	H	70.7	Confident	79.6	Confident	123 Å²	123	50.9 Å²	50.9	57%	0.569	29%	0.29	S	S	*	.			trans	-81	140.1	174.6	-62.6	-52.3	0	0	0	111	H516 E521 Y527	H516-H519 PolarHBondContact O-CE1 3.38Å; H519-E521 VanDerWaalsContact C-N 3.32Å; H519-E521 HydrophobicContact CB-CG 4.28Å; H519-E521 PolarHBondContact O-N 2.84Å; H519-Y527 WeakPolarHBondContact O-CD2 3.32Å
520	Q	69.1	Low	79.4	Confident	110 Å²	110	51.2 Å²	51.2	51%	0.514	29%	0.289	S	S	.	.			trans	-73.4	87.8	172.8	-169.4	179.3	17.1	0	0	109.1	Q524 Y527	Q520-Q524 VanDerWaalsContact NE2-CD 3.28Å; Q520-Y527 HydrophobicContact CB-CD2 4.09Å; Q520-Y527 HydrophobicContact CB-CE2 4.1Å; Q520-Y527 HydrophobicContact CB-CG 4.31Å; Q520-Y527 HydrophobicContact CG-CD1 4.1Å; Q520-Y527 HydrophobicContact CG-CD2 4.44Å; Q520-Y527 HydrophobicContact CG-CE1 4.34Å; Q520-Y527 HydrophobicContact CG-CG 4.15Å
521	E	62	Low	79.4	Confident	96 Å²	96	51.1 Å²	51.1	45%	0.449	29%	0.288	S	S	.	.			trans	-97	113.8	177.9	-68.4	173.4	161.8	0	0	109.9	H519 N523 K530	H519-E521 VanDerWaalsContact C-N 3.32Å; H519-E521 HydrophobicContact CB-CG 4.28Å; H519-E521 PolarHBondContact O-N 2.84Å; E521-N523 PolarHBondContact O-N 3.05Å; E521-K530 IonicContact OE2-NZ 3.83Å; E521-K530 PolarHBondContact OE2-NZ 3.29Å
522	G	66.1	Low	79.4	Confident	73 Å²	73	47.7 Å²	47.7	75%	0.753	27%	0.267	S	S	*	.	S	Bend	trans	48.6	-94.8	167.2	0	0	0	0	0	115.3	Q524	G522-Q524 PolarHBondContact O-N 3.45Å
523	N	74.3	Confident	79.4	Confident	68 Å²	68	46.9 Å²	46.9	36%	0.364	27%	0.266	S	S	.	.			trans	-71.9	109.6	-176	-173.5	-15.2	0	0	0	111.5	F114 E521 L525 I526 Y527	F114-N523 WeakPolarHBondContact CZ-ND2 3.36Å; E521-N523 PolarHBondContact O-N 3.05Å; N523-L525 PolarHBondContact O-N 3.22Å; N523-L525 VanDerWaalsContact O-N 3.08Å; N523-L525 VanDerWaalsContact OD1-CB 3.3Å; N523-L525 WeakPolarHBondContact OD1-CB 3.49Å; N523-L525 PolarHBondContact OD1-N 3.48Å; N523-I526 HydrophobicContact CB-CD1 3.73Å; N523-I526 HydrophobicContact CB-CG1 3.91Å; N523-I526 WeakPolarHBondContact O-CB 3.4Å; N523-I526 PolarHBondContact O-N 3.06Å; N523-Y527 PolarHBondContact O-N 3.45Å
524	Q	81.1	Confident	79.5	Confident	40 Å²	40	46.4 Å²	46.4	19%	0.187	26%	0.262	C	S	.	.	H	α-helix	trans	-55.3	-29.4	179.8	-59.6	-60.3	-25.4	0	0	113.5	Q520 G522 Y527 L528 A602 V603	Q520-Q524 VanDerWaalsContact NE2-CD 3.28Å; G522-Q524 PolarHBondContact O-N 3.45Å; Q524-Y527 PolarHBondContact O-N 3.46Å; Q524-L528 WeakPolarHBondContact O-CG 3.46Å; Q524-L528 PolarHBondContact O-N 2.93Å; Q524-A602 HydrophobicContact CG-CB 4.36Å; Q524-V603 HydrophobicContact CB-CG2 3.9Å; Q524-V603 HydrophobicContact CG-CG2 4.25Å
525	L	81.6	Confident	79.8	Confident	12 Å²	12	46 Å²	46	6%	0.063	26%	0.259	C	S	.	.	H	α-helix	trans	-66.8	-40.4	176.6	-178.3	52.5	0	0	0	111.9	F114 N523 Y527 L528 N529 S607 Y610 A611	F114-L525 HydrophobicContact CE1-CD2 3.92Å; F114-L525 HydrophobicContact CZ-CD2 4.41Å; N523-L525 PolarHBondContact O-N 3.22Å; N523-L525 VanDerWaalsContact O-N 3.08Å; N523-L525 VanDerWaalsContact OD1-CB 3.3Å; N523-L525 WeakPolarHBondContact OD1-CB 3.49Å; N523-L525 PolarHBondContact OD1-N 3.48Å; L525-Y527 VanDerWaalsContact C-N 3.31Å; L525-L528 PolarHBondContact O-N 3.41Å; L525-N529 WeakPolarHBondContact O-CB 3.14Å; L525-N529 VanDerWaalsContact O-CG 3.27Å; L525-N529 PolarHBondContact O-N 2.83Å; L525-N529 PolarHBondContact O-ND2 3.33Å; L525-N529 VanDerWaalsContact O-ND2 3.1Å; L525-S607 WeakPolarHBondContact CD1-O 3.49Å; L525-Y610 HydrophobicContact CD1-CD1 4.06Å; L525-Y610 HydrophobicContact CD2-CD1 3.73Å; L525-Y610 HydrophobicContact CD2-CE1 4.4Å; L525-Y610 HydrophobicContact CD2-CG 4.3Å; L525-Y610 HydrophobicContact CG-CD1 4.37Å; L525-A611 HydrophobicContact CD1-CB 3.62Å
526	I	80.5	Confident	80.3	Confident	13 Å²	13	42.5 Å²	42.5	7%	0.067	24%	0.238	C	C	.	.	H	α-helix	trans	-62	-46.1	174.5	-58.2	174	0	0	0	109.2	E110 L113 F114 N523 N529 K530	E110-I526 HydrophobicContact CG-CD1 3.73Å; L113-I526 HydrophobicContact CD1-CG1 4.44Å; L113-I526 HydrophobicContact CD1-CG2 4.49Å; F114-I526 HydrophobicContact CE2-CD1 3.72Å; F114-I526 HydrophobicContact CE2-CG1 3.48Å; F114-I526 VanDerWaalsContact CE2-CG1 3.48Å; F114-I526 HydrophobicContact CZ-CD1 4.25Å; F114-I526 HydrophobicContact CZ-CG1 3.65Å; N523-I526 HydrophobicContact CB-CD1 3.73Å; N523-I526 HydrophobicContact CB-CG1 3.91Å; N523-I526 WeakPolarHBondContact O-CB 3.4Å; N523-I526 PolarHBondContact O-N 3.06Å; I526-N529 PolarHBondContact O-N 2.82Å; I526-K530 HydrophobicContact CG2-CD 3.97Å; I526-K530 HydrophobicContact CG2-CG 4.24Å; I526-K530 WeakPolarHBondContact O-CB 3.48Å; I526-K530 WeakPolarHBondContact O-CG 3.2Å; I526-K530 PolarHBondContact O-N 2.83Å
527	Y	83.6	Confident	80.9	Confident	23 Å²	23	40.8 Å²	40.8	9%	0.09	23%	0.226	C	C	.	.	H	α-helix	trans	-58.2	-49.9	179.1	174.1	-116.2	0	0	0	112.2	V518 H519 Q520 N523 Q524 L525 N529 K530 L531 L596	V518-Y527 HydrophobicContact CB-CE2 4.38Å; V518-Y527 HydrophobicContact CG1-CD2 3.69Å; V518-Y527 HydrophobicContact CG1-CE2 3.7Å; H519-Y527 WeakPolarHBondContact O-CD2 3.32Å; Q520-Y527 HydrophobicContact CB-CD2 4.09Å; Q520-Y527 HydrophobicContact CB-CE2 4.1Å; Q520-Y527 HydrophobicContact CB-CG 4.31Å; Q520-Y527 HydrophobicContact CG-CD1 4.1Å; Q520-Y527 HydrophobicContact CG-CD2 4.44Å; Q520-Y527 HydrophobicContact CG-CE1 4.34Å; Q520-Y527 HydrophobicContact CG-CG 4.15Å; N523-Y527 PolarHBondContact O-N 3.45Å; Q524-Y527 PolarHBondContact O-N 3.46Å; L525-Y527 VanDerWaalsContact C-N 3.31Å; Y527-N529 VanDerWaalsContact C-N 3.32Å; Y527-N529 PolarHBondContact O-N 2.96Å; Y527-K530 PolarHBondContact O-N 3.31Å; Y527-L531 HydrophobicContact CD1-CD1 4.13Å; Y527-L531 HydrophobicContact CD2-CG 4.39Å; Y527-L531 HydrophobicContact CE1-CD1 3.56Å; Y527-L531 HydrophobicContact CE1-CG 4.37Å; Y527-L531 HydrophobicContact CE2-CD1 4.03Å; Y527-L531 HydrophobicContact CE2-CD2 4.23Å; Y527-L531 HydrophobicContact CE2-CG 3.97Å; Y527-L531 VanDerWaalsContact CZ-CD1 3.5Å; Y527-L531 WeakPolarHBondContact O-CG 3.5Å; Y527-L531 PolarHBondContact O-N 3.18Å; Y527-L596 HydrophobicContact CE1-CD1 3.86Å; Y527-L596 HydrophobicContact CE1-CD2 4.12Å
528	L	85.8	Confident	82	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-61.3	-39.3	177.1	-70.1	171.5	0	0	0	112.4	Q524 L525 L531 S532 L593 L596 L597 V603 A611	Q524-L528 WeakPolarHBondContact O-CG 3.46Å; Q524-L528 PolarHBondContact O-N 2.93Å; L525-L528 PolarHBondContact O-N 3.41Å; L528-L531 PolarHBondContact O-N 3.37Å; L528-S532 PolarHBondContact O-N 2.94Å; L528-L593 HydrophobicContact CD2-CD2 3.92Å; L528-L596 HydrophobicContact CD2-CB 4.42Å; L528-L596 HydrophobicContact CD2-CD1 4.34Å; L528-L597 HydrophobicContact CD1-CD2 3.74Å; L528-L597 HydrophobicContact CD2-CD2 4.29Å; L528-V603 HydrophobicContact CD1-CG1 4.09Å; L528-V603 HydrophobicContact CD1-CG2 4.33Å; L528-A611 HydrophobicContact CB-CB 3.92Å; L528-A611 HydrophobicContact CD1-CB 3.82Å
529	N	84.8	Confident	82.8	Confident	7 Å²	7	38.4 Å²	38.4	4%	0.037	20%	0.2	C	C	.	.	H	α-helix	trans	-67.9	-40.2	176.8	-75.4	-33.6	0	0	0	112.4	L113 L525 I526 Y527 S532 L533	L113-N529 HydrophobicContact CD2-CB 4.39Å; L525-N529 WeakPolarHBondContact O-CB 3.14Å; L525-N529 VanDerWaalsContact O-CG 3.27Å; L525-N529 PolarHBondContact O-N 2.83Å; L525-N529 PolarHBondContact O-ND2 3.33Å; L525-N529 VanDerWaalsContact O-ND2 3.1Å; I526-N529 PolarHBondContact O-N 2.82Å; Y527-N529 VanDerWaalsContact C-N 3.32Å; Y527-N529 PolarHBondContact O-N 2.96Å; N529-S532 PolarHBondContact O-N 3.21Å; N529-L533 PolarHBondContact O-N 2.88Å
530	K	85.5	Confident	83.6	Confident	45 Å²	45	32.5 Å²	32.5	20%	0.196	17%	0.173	C	C	.	.	H	α-helix	trans	-63.1	-43.3	173	-74.1	177.2	178	173.2	0	110.6	V518 E521 I526 Y527 S532 L533 T534	V518-K530 HydrophobicContact CG1-CB 3.67Å; E521-K530 IonicContact OE2-NZ 3.83Å; E521-K530 PolarHBondContact OE2-NZ 3.29Å; I526-K530 HydrophobicContact CG2-CD 3.97Å; I526-K530 HydrophobicContact CG2-CG 4.24Å; I526-K530 WeakPolarHBondContact O-CB 3.48Å; I526-K530 WeakPolarHBondContact O-CG 3.2Å; I526-K530 PolarHBondContact O-N 2.83Å; Y527-K530 PolarHBondContact O-N 3.31Å; K530-S532 PolarHBondContact O-N 3.5Å; K530-L533 PolarHBondContact O-N 3.41Å; K530-T534 WeakPolarHBondContact O-CB 3.45Å; K530-T534 PolarHBondContact O-N 2.94Å; K530-T534 PolarHBondContact O-OG1 3.1Å
531	L	89.5	Confident	84.5	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-58.9	-47.5	175	-77.9	177.8	0	0	0	112	L514 V518 Y527 L528 L533 T534 F535 F589 L596	L514-L531 HydrophobicContact CD2-CD2 4.07Å; V518-L531 HydrophobicContact CB-CD2 3.92Å; V518-L531 HydrophobicContact CG1-CD2 3.98Å; V518-L531 HydrophobicContact CG1-CG 4.08Å; V518-L531 HydrophobicContact CG2-CD2 4.2Å; Y527-L531 HydrophobicContact CD1-CD1 4.13Å; Y527-L531 HydrophobicContact CD2-CG 4.39Å; Y527-L531 HydrophobicContact CE1-CD1 3.56Å; Y527-L531 HydrophobicContact CE1-CG 4.37Å; Y527-L531 HydrophobicContact CE2-CD1 4.03Å; Y527-L531 HydrophobicContact CE2-CD2 4.23Å; Y527-L531 HydrophobicContact CE2-CG 3.97Å; Y527-L531 VanDerWaalsContact CZ-CD1 3.5Å; Y527-L531 WeakPolarHBondContact O-CG 3.5Å; Y527-L531 PolarHBondContact O-N 3.18Å; L528-L531 PolarHBondContact O-N 3.37Å; L531-L533 PolarHBondContact O-N 2.98Å; L531-T534 PolarHBondContact O-N 3.41Å; L531-F535 WeakPolarHBondContact O-CB 3.4Å; L531-F535 PolarHBondContact O-N 3.35Å; L531-F589 HydrophobicContact CB-CE2 4.34Å; L531-L596 HydrophobicContact CD1-CD1 3.52Å
532	S	90.4	Very high	85.9	Confident	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-56.1	-51.8	176.2	-172.7	0	0	0	0	111.6	L528 N529 K530 T534 F535 H536 I615 H618	L528-S532 PolarHBondContact O-N 2.94Å; N529-S532 PolarHBondContact O-N 3.21Å; K530-S532 PolarHBondContact O-N 3.5Å; S532-T534 PolarHBondContact O-N 3.48Å; S532-F535 PolarHBondContact O-N 3.01Å; S532-H536 PolarHBondContact O-N 2.55Å; S532-H536 VanDerWaalsContact O-N 3.07Å; S532-H536 PolarHBondContact O-ND1 3.14Å; S532-H536 PolarHBondContact OG-ND1 3.46Å; S532-I615 WeakPolarHBondContact OG-CA 3.3Å; S532-I615 WeakPolarHBondContact OG-CG1 3.37Å; S532-H618 PolarHBondContact OG-ND1 3.18Å
533	L	87.9	Confident	87	Confident	56 Å²	56	21.8 Å²	21.8	29%	0.293	10%	0.103	S	C	.	.	H	α-helix	trans	-61	-47.8	-178.4	179.6	60.8	0	0	0	111	T330 L331 N529 K530 L531 F535 R537	T330-L533 WeakPolarHBondContact O-CD1 3.32Å; L331-L533 HydrophobicContact CD1-CD1 3.84Å; N529-L533 PolarHBondContact O-N 2.88Å; K530-L533 PolarHBondContact O-N 3.41Å; L531-L533 PolarHBondContact O-N 2.98Å; L533-F535 PolarHBondContact O-N 3.35Å; L533-R537 WeakPolarHBondContact O-CB 3.39Å; L533-R537 PolarHBondContact O-N 3.39Å
534	T	88.7	Confident	87.5	Confident	28 Å²	28	19.6 Å²	19.6	17%	0.172	9%	0.093	C	C	.	.	H	α-helix	trans	-60.1	-46	179.9	-62	0	0	0	0	111.5	S513 L514 V518 K530 L531 S532 N538	S513-T534 WeakPolarHBondContact OG-CG2 3.47Å; L514-T534 HydrophobicContact CD2-CG2 3.81Å; L514-T534 HydrophobicContact CG-CG2 4.47Å; V518-T534 HydrophobicContact CG2-CG2 4.02Å; V518-T534 WeakPolarHBondContact CG2-OG1 3.48Å; K530-T534 WeakPolarHBondContact O-CB 3.45Å; K530-T534 PolarHBondContact O-N 2.94Å; K530-T534 PolarHBondContact O-OG1 3.1Å; L531-T534 PolarHBondContact O-N 3.41Å; S532-T534 PolarHBondContact O-N 3.48Å; T534-N538 WeakPolarHBondContact O-CB 3.42Å; T534-N538 PolarHBondContact O-N 2.88Å; T534-N538 PolarHBondContact O-ND2 3.36Å
535	F	94.3	Very high	87.8	Confident	0 Å²	0	20 Å²	20	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62	-56	179.3	172.4	-105.3	0	0	0	112	M510 L514 L531 S532 L533 R537 N538 L539 F589	M510-F535 HydrophobicContact CE-CD2 4.22Å; M510-F535 HydrophobicContact CE-CE2 3.9Å; M510-F535 HydrophobicContact SD-CD2 3.71Å; M510-F535 HydrophobicContact SD-CE2 3.83Å; L514-F535 HydrophobicContact CD1-CB 4.45Å; L514-F535 HydrophobicContact CD1-CD2 4.12Å; L514-F535 HydrophobicContact CD2-CB 3.96Å; L531-F535 WeakPolarHBondContact O-CB 3.4Å; L531-F535 PolarHBondContact O-N 3.35Å; S532-F535 PolarHBondContact O-N 3.01Å; L533-F535 PolarHBondContact O-N 3.35Å; F535-R537 VanDerWaalsContact C-N 3.3Å; F535-R537 PolarHBondContact O-N 2.89Å; F535-N538 PolarHBondContact O-N 3.47Å; F535-N538 VanDerWaalsContact O-N 3.15Å; F535-L539 HydrophobicContact CD1-CD1 4.33Å; F535-L539 HydrophobicContact CE1-CD1 3.54Å; F535-L539 HydrophobicContact CE1-CG 4.33Å; F535-L539 HydrophobicContact CE2-CD1 4.15Å; F535-L539 HydrophobicContact CE2-CG 4.22Å; F535-L539 HydrophobicContact CZ-CD1 3.43Å; F535-L539 VanDerWaalsContact CZ-CD1 3.43Å; F535-L539 HydrophobicContact CZ-CD2 4.46Å; F535-L539 HydrophobicContact CZ-CG 3.99Å; F535-L539 PolarHBondContact O-N 3.06Å; F535-F589 HydrophobicContact CB-CD1 4.28Å; F535-F589 HydrophobicContact CB-CD2 3.96Å; F535-F589 HydrophobicContact CB-CE1 4.11Å; F535-F589 HydrophobicContact CB-CE2 3.79Å; F535-F589 HydrophobicContact CB-CG 4.21Å; F535-F589 HydrophobicContact CB-CZ 3.86Å; F535-F589 HydrophobicContact CD1-CB 4.35Å; F535-F589 AromaticContact CD1-CD1 3.34Å; F535-F589 HydrophobicContact CD1-CD1 3.34Å; F535-F589 HydrophobicContact CD1-CD2 4.39Å; F535-F589 AromaticContact CD1-CE1 3.59Å; F535-F589 HydrophobicContact CD1-CE1 3.59Å; F535-F589 AromaticContact CD1-CG 3.77Å; F535-F589 HydrophobicContact CD1-CG 3.77Å; F535-F589 HydrophobicContact CD1-CZ 4.24Å; F535-F589 HydrophobicContact CD2-CB 3.74Å; F535-F589 HydrophobicContact CD2-CD1 4.15Å; F535-F589 AromaticContact CD2-CD2 3.95Å; F535-F589 HydrophobicContact CD2-CD2 3.95Å; F535-F589 AromaticContact CD2-CG 3.68Å; F535-F589 HydrophobicContact CD2-CG 3.68Å; F535-F589 HydrophobicContact CE1-CB 4.18Å; F535-F589 AromaticContact CE1-CD1 3.59Å; F535-F589 HydrophobicContact CE1-CD1 3.59Å; F535-F589 HydrophobicContact CE1-CE1 4.24Å; F535-F589 HydrophobicContact CE1-CG 4.04Å; F535-F589 HydrophobicContact CE2-CB 3.54Å; F535-F589 HydrophobicContact CE2-CD1 4.35Å; F535-F589 AromaticContact CE2-CG 3.94Å; F535-F589 HydrophobicContact CE2-CG 3.94Å; F535-F589 HydrophobicContact CG-CB 4.14Å; F535-F589 AromaticContact CG-CD1 3.64Å; F535-F589 HydrophobicContact CG-CD1 3.64Å; F535-F589 AromaticContact CG-CD2 3.82Å; F535-F589 HydrophobicContact CG-CD2 3.82Å; F535-F589 AromaticContact CG-CE1 3.91Å; F535-F589 HydrophobicContact CG-CE1 3.91Å; F535-F589 HydrophobicContact CG-CE2 4.1Å; F535-F589 AromaticContact CG-CG 3.59Å; F535-F589 HydrophobicContact CG-CG 3.59Å; F535-F589 HydrophobicContact CG-CZ 4.14Å; F535-F589 HydrophobicContact CZ-CB 3.78Å; F535-F589 HydrophobicContact CZ-CD1 4.1Å; F535-F589 HydrophobicContact CZ-CG 4.12Å
536	H	92.1	Very high	88.3	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-66.1	-34.4	-175.9	-65.3	94.8	0	0	0	112	L331 S532 L539 A540 H618 A619 L622	L331-H536 HydrophobicContact CD1-CB 4.01Å; L331-H536 HydrophobicContact CD2-CB 4.21Å; S532-H536 PolarHBondContact O-N 2.55Å; S532-H536 VanDerWaalsContact O-N 3.07Å; S532-H536 PolarHBondContact O-ND1 3.14Å; S532-H536 PolarHBondContact OG-ND1 3.46Å; H536-L539 PolarHBondContact O-N 2.91Å; H536-A540 PolarHBondContact O-N 2.9Å; H536-H618 HydrophobicContact CB-CB 4.19Å; H536-H618 WeakPolarHBondContact ND1-CB 3.41Å; H536-H618 AromaticContact ND1-ND1 3.97Å; H536-A619 PolarHBondContact NE2-N 2.64Å; H536-L622 HydrophobicContact CB-CD2 4.27Å
537	R	87.4	Confident	88.7	Confident	99 Å²	99	22 Å²	22	37%	0.374	11%	0.109	S	C	.	.	H	α-helix	trans	-63.7	-46.4	172.9	-179.2	-179.9	172.3	111.4	15.9	111.5	L331 L533 F535 L539 A540 E541	L331-R537 HydrophobicContact CD1-CB 4.01Å; L533-R537 WeakPolarHBondContact O-CB 3.39Å; L533-R537 PolarHBondContact O-N 3.39Å; F535-R537 VanDerWaalsContact C-N 3.3Å; F535-R537 PolarHBondContact O-N 2.89Å; R537-L539 VanDerWaalsContact C-N 3.28Å; R537-L539 PolarHBondContact O-N 3.45Å; R537-A540 PolarHBondContact O-N 3.22Å; R537-A540 VanDerWaalsContact O-N 3.17Å; R537-E541 HydrophobicContact CG-CG 4.36Å; R537-E541 IonicContact CZ-OE1 4Å; R537-E541 IonicContact NE-OE1 3.36Å; R537-E541 PolarHBondContact NE-OE1 2.81Å; R537-E541 IonicContact NH2-OE1 2.72Å; R537-E541 PolarHBondContact NH2-OE1 3.12Å; R537-E541 WeakPolarHBondContact O-CG 3.12Å; R537-E541 PolarHBondContact O-N 2.62Å
538	N	90.7	Very high	88.9	Confident	11 Å²	11	24.2 Å²	24.2	6%	0.059	12%	0.121	C	C	.	.	H	α-helix	trans	-61	-37.6	178	-89.4	-88	0	0	0	111.7	R506 M510 S513 T534 F535 T542	R506-N538 PolarHBondContact NH2-O 2.6Å; M510-N538 HydrophobicContact CB-CB 4.19Å; M510-N538 HydrophobicContact CG-CB 3.73Å; M510-N538 HydrophobicContact SD-CB 3.91Å; S513-N538 PolarHBondContact OG-ND2 3.37Å; T534-N538 WeakPolarHBondContact O-CB 3.42Å; T534-N538 PolarHBondContact O-N 2.88Å; T534-N538 PolarHBondContact O-ND2 3.36Å; F535-N538 PolarHBondContact O-N 3.47Å; F535-N538 VanDerWaalsContact O-N 3.15Å; N538-T542 VanDerWaalsContact O-CB 3.3Å; N538-T542 WeakPolarHBondContact O-CB 3.25Å; N538-T542 PolarHBondContact O-N 3.35Å; N538-T542 PolarHBondContact O-OG1 2.71Å
539	L	92.7	Very high	89	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-62.8	-46.9	173.1	-74.8	-177.6	0	0	0	111.9	M510 F535 H536 R537 T542 A543 W581 T582 L622 I630	M510-L539 HydrophobicContact SD-CD2 4.3Å; M510-L539 HydrophobicContact SD-CG 4.48Å; F535-L539 HydrophobicContact CD1-CD1 4.33Å; F535-L539 HydrophobicContact CE1-CD1 3.54Å; F535-L539 HydrophobicContact CE1-CG 4.33Å; F535-L539 HydrophobicContact CE2-CD1 4.15Å; F535-L539 HydrophobicContact CE2-CG 4.22Å; F535-L539 HydrophobicContact CZ-CD1 3.43Å; F535-L539 VanDerWaalsContact CZ-CD1 3.43Å; F535-L539 HydrophobicContact CZ-CD2 4.46Å; F535-L539 HydrophobicContact CZ-CG 3.99Å; F535-L539 PolarHBondContact O-N 3.06Å; H536-L539 PolarHBondContact O-N 2.91Å; R537-L539 VanDerWaalsContact C-N 3.28Å; R537-L539 PolarHBondContact O-N 3.45Å; L539-T542 WeakPolarHBondContact O-CB 3.44Å; L539-T542 PolarHBondContact O-N 2.94Å; L539-A543 PolarHBondContact O-N 3.41Å; L539-W581 HydrophobicContact CD2-CH2 3.86Å; L539-W581 HydrophobicContact CD2-CZ3 3.65Å; L539-T582 HydrophobicContact CD1-CG2 4.42Å; L539-T582 HydrophobicContact CD2-CG2 4.41Å; L539-L622 HydrophobicContact CB-CD2 3.56Å; L539-L622 HydrophobicContact CD1-CD2 3.6Å; L539-L622 HydrophobicContact CG-CD2 4.25Å; L539-I630 HydrophobicContact CD1-CD1 4.38Å
540	A	87.3	Confident	89.2	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.5	-45.9	179.4	0	0	0	0	0	111.9	C334 H536 R537 T542 A543 V544 L622	C334-A540 HydrophobicContact CB-CB 3.96Å; C334-A540 WeakPolarHBondContact SG-CB 3.5Å; H536-A540 PolarHBondContact O-N 2.9Å; R537-A540 PolarHBondContact O-N 3.22Å; R537-A540 VanDerWaalsContact O-N 3.17Å; A540-T542 VanDerWaalsContact C-N 3.28Å; A540-T542 PolarHBondContact O-N 3.4Å; A540-A543 WeakPolarHBondContact O-CB 3.32Å; A540-A543 PolarHBondContact O-N 2.77Å; A540-V544 WeakPolarHBondContact O-CG2 3.29Å; A540-V544 PolarHBondContact O-N 3.23Å; A540-L622 HydrophobicContact CB-CD1 3.91Å
541	E	87.4	Confident	89.4	Confident	49 Å²	49	23.9 Å²	23.9	23%	0.229	12%	0.123	C	C	.	.	H	α-helix	trans	-61.3	-37.8	174	-70.9	176.7	175.1	0	0	111.7	L337 R537 A543 V544 E545	L337-E541 HydrophobicContact CD1-CG 4.38Å; R537-E541 HydrophobicContact CG-CG 4.36Å; R537-E541 IonicContact CZ-OE1 4Å; R537-E541 IonicContact NE-OE1 3.36Å; R537-E541 PolarHBondContact NE-OE1 2.81Å; R537-E541 IonicContact NH2-OE1 2.72Å; R537-E541 PolarHBondContact NH2-OE1 3.12Å; R537-E541 WeakPolarHBondContact O-CG 3.12Å; R537-E541 PolarHBondContact O-N 2.62Å; E541-A543 PolarHBondContact O-N 2.87Å; E541-V544 PolarHBondContact O-N 3.34Å; E541-E545 WeakPolarHBondContact O-CG 3.38Å; E541-E545 PolarHBondContact O-N 3.23Å
542	T	91.4	Very high	89.3	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.9	-39.9	176.8	-57	0	0	0	0	111.8	R506 N538 L539 A540 V544 E545 W546 F578 W581	R506-T542 HydrophobicContact CB-CG2 3.77Å; R506-T542 HydrophobicContact CG-CG2 3.63Å; R506-T542 VanDerWaalsContact CZ-OG1 3.31Å; R506-T542 PolarHBondContact NE-OG1 2.91Å; R506-T542 PolarHBondContact NH2-OG1 3.21Å; N538-T542 VanDerWaalsContact O-CB 3.3Å; N538-T542 WeakPolarHBondContact O-CB 3.25Å; N538-T542 PolarHBondContact O-N 3.35Å; N538-T542 PolarHBondContact O-OG1 2.71Å; L539-T542 WeakPolarHBondContact O-CB 3.44Å; L539-T542 PolarHBondContact O-N 2.94Å; A540-T542 VanDerWaalsContact C-N 3.28Å; A540-T542 PolarHBondContact O-N 3.4Å; T542-V544 VanDerWaalsContact C-N 3.29Å; T542-V544 PolarHBondContact O-N 2.68Å; T542-E545 PolarHBondContact O-N 2.88Å; T542-W546 WeakPolarHBondContact O-CB 3.22Å; T542-W546 PolarHBondContact O-N 3.01Å; T542-F578 HydrophobicContact CG2-CE2 4.27Å; T542-W581 HydrophobicContact CG2-CE3 4.47Å; T542-W581 HydrophobicContact CG2-CH2 3.45Å; T542-W581 VanDerWaalsContact CG2-CH2 3.45Å; T542-W581 HydrophobicContact CG2-CZ2 4.21Å; T542-W581 HydrophobicContact CG2-CZ3 3.59Å
543	A	89.3	Confident	89.1	Confident	4 Å²	4	29.8 Å²	29.8	3%	0.033	15%	0.15	C	C	.	.	H	α-helix	trans	-59.9	-41.6	176.4	0	0	0	0	0	111.8	L338 L539 A540 E541 W546 C547 F578 L626	L338-A543 HydrophobicContact CD2-CB 3.92Å; L539-A543 PolarHBondContact O-N 3.41Å; A540-A543 WeakPolarHBondContact O-CB 3.32Å; A540-A543 PolarHBondContact O-N 2.77Å; E541-A543 PolarHBondContact O-N 2.87Å; A543-W546 WeakPolarHBondContact O-CB 3.28Å; A543-W546 PolarHBondContact O-N 3.05Å; A543-C547 PolarHBondContact O-N 2.66Å; A543-C547 VanDerWaalsContact O-N 3.15Å; A543-C547 PolarHBondContact O-SG 2.8Å; A543-C547 VanDerWaalsContact O-SG 3.38Å; A543-F578 HydrophobicContact CB-CE1 4.24Å; A543-F578 HydrophobicContact CB-CE2 4.34Å; A543-F578 HydrophobicContact CB-CZ 3.6Å; A543-L626 HydrophobicContact CB-CD1 4.46Å; A543-L626 HydrophobicContact CB-CD2 3.42Å; A543-L626 VanDerWaalsContact CB-CD2 3.42Å
544	V	85.7	Confident	89.1	Confident	23 Å²	23	27.2 Å²	27.2	14%	0.139	14%	0.136	C	C	.	.	H	α-helix	trans	-67.5	-49.4	178.1	177.6	0	0	0	0	111.3	L337 L338 A540 E541 T542 W546 C547 Q548	L337-V544 VanDerWaalsContact C-CG2 3.41Å; L337-V544 HydrophobicContact CB-CG2 3.86Å; L337-V544 WeakPolarHBondContact O-CG1 3.4Å; L337-V544 WeakPolarHBondContact O-CG2 3.44Å; L338-V544 HydrophobicContact CD2-CG2 3.73Å; L338-V544 HydrophobicContact CG-CG2 4.13Å; A540-V544 WeakPolarHBondContact O-CG2 3.29Å; A540-V544 PolarHBondContact O-N 3.23Å; E541-V544 PolarHBondContact O-N 3.34Å; T542-V544 VanDerWaalsContact C-N 3.29Å; T542-V544 PolarHBondContact O-N 2.68Å; V544-W546 VanDerWaalsContact C-N 3.27Å; V544-W546 PolarHBondContact O-N 2.8Å; V544-C547 PolarHBondContact O-N 2.56Å; V544-Q548 WeakPolarHBondContact O-CG 3.45Å; V544-Q548 PolarHBondContact O-N 3.35Å
545	E	87.1	Confident	89	Confident	47 Å²	47	26.7 Å²	26.7	22%	0.22	14%	0.137	C	C	.	.	H	α-helix	trans	-64.8	-32.8	178.6	-71.2	-176.2	-154.5	0	0	112.1	F502 R506 E541 T542 Q548 S549	F502-E545 HydrophobicContact CZ-CB 3.85Å; R506-E545 IonicContact CZ-OE1 3.73Å; R506-E545 IonicContact CZ-OE2 2.93Å; R506-E545 IonicContact NE-OE2 3.48Å; R506-E545 IonicContact NH1-OE1 3.43Å; R506-E545 PolarHBondContact NH1-OE1 3.4Å; R506-E545 IonicContact NH1-OE2 3.16Å; R506-E545 PolarHBondContact NH1-OE2 3Å; E541-E545 WeakPolarHBondContact O-CG 3.38Å; E541-E545 PolarHBondContact O-N 3.23Å; T542-E545 PolarHBondContact O-N 2.88Å; E545-Q548 PolarHBondContact O-N 2.71Å; E545-S549 WeakPolarHBondContact O-CA 3.27Å; E545-S549 WeakPolarHBondContact O-CB 3.44Å; E545-S549 PolarHBondContact O-N 3.3Å; E545-S549 PolarHBondContact O-OG 3.1Å
546	W	92.5	Very high	88.6	Confident	5 Å²	5	33.2 Å²	33.2	2%	0.019	17%	0.167	C	C	.	.	H	α-helix	trans	-59.8	-50.9	173.6	175.8	-106.8	0	0	0	111.2	A499 F502 L503 T542 A543 V544 Q548 V550 V551 C574 F578	A499-W546 HydrophobicContact CB-CH2 3.72Å; A499-W546 HydrophobicContact CB-CZ3 4.18Å; A499-W546 WeakPolarHBondContact O-CZ3 3.49Å; F502-W546 AromaticContact CD1-CE3 3.53Å; F502-W546 HydrophobicContact CD1-CE3 3.53Å; F502-W546 AromaticContact CD1-CZ3 3.9Å; F502-W546 HydrophobicContact CD1-CZ3 3.9Å; F502-W546 HydrophobicContact CE1-CB 4.32Å; F502-W546 AromaticContact CE1-CE3 3.86Å; F502-W546 HydrophobicContact CE1-CE3 3.86Å; F502-W546 HydrophobicContact CG-CE3 4.5Å; L503-W546 HydrophobicContact CD1-CH2 3.87Å; L503-W546 HydrophobicContact CD1-CZ3 3.9Å; L503-W546 HydrophobicContact CD2-CE3 3.78Å; L503-W546 HydrophobicContact CD2-CH2 4.36Å; L503-W546 HydrophobicContact CD2-CZ3 3.69Å; L503-W546 HydrophobicContact CG-CE3 4.17Å; L503-W546 HydrophobicContact CG-CH2 4.08Å; L503-W546 HydrophobicContact CG-CZ3 3.55Å; T542-W546 WeakPolarHBondContact O-CB 3.22Å; T542-W546 PolarHBondContact O-N 3.01Å; A543-W546 WeakPolarHBondContact O-CB 3.28Å; A543-W546 PolarHBondContact O-N 3.05Å; V544-W546 VanDerWaalsContact C-N 3.27Å; V544-W546 PolarHBondContact O-N 2.8Å; W546-Q548 VanDerWaalsContact C-N 3.34Å; W546-Q548 PolarHBondContact O-N 2.94Å; W546-V550 HydrophobicContact CD2-CB 4.12Å; W546-V550 HydrophobicContact CD2-CG1 4.43Å; W546-V550 HydrophobicContact CD2-CG2 4.35Å; W546-V550 HydrophobicContact CE3-CB 3.8Å; W546-V550 HydrophobicContact CE3-CG1 4.04Å; W546-V550 HydrophobicContact CE3-CG2 3.59Å; W546-V550 HydrophobicContact CH2-CG1 3.92Å; W546-V550 HydrophobicContact CZ2-CG1 4.25Å; W546-V550 HydrophobicContact CZ3-CB 4.03Å; W546-V550 HydrophobicContact CZ3-CG1 3.76Å; W546-V550 HydrophobicContact CZ3-CG2 3.83Å; W546-V550 WeakPolarHBondContact O-CA 3.38Å; W546-V550 WeakPolarHBondContact O-CB 2.81Å; W546-V550 PolarHBondContact O-N 3.48Å; W546-V551 HydrophobicContact CG-CG2 4.37Å; W546-V551 PolarHBondContact O-N 3.08Å; W546-C574 HydrophobicContact CZ2-CB 3.76Å; W546-C574 VanDerWaalsContact CZ2-O 3.3Å; W546-C574 WeakPolarHBondContact CZ2-O 3.3Å; W546-F578 HydrophobicContact CB-CD2 4.29Å; W546-F578 HydrophobicContact CB-CE2 4.39Å; W546-F578 HydrophobicContact CD2-CB 4.47Å; W546-F578 HydrophobicContact CD2-CD2 4.16Å; W546-F578 AromaticContact CG-CD2 3.92Å; W546-F578 HydrophobicContact CG-CD2 3.92Å; W546-F578 HydrophobicContact CG-CE2 4.48Å; W546-F578 HydrophobicContact CG-CG 4.38Å; W546-F578 HydrophobicContact CZ2-CB 4.14Å
547	C	89.2	Confident	88.2	Confident	62 Å²	62	34.3 Å²	34.3	42%	0.419	17%	0.173	S	C	.	.	I	π-helix	trans	-60.7	-43.2	177.5	-70.8	0	0	0	0	112	A543 V544 K552	A543-C547 PolarHBondContact O-N 2.66Å; A543-C547 VanDerWaalsContact O-N 3.15Å; A543-C547 PolarHBondContact O-SG 2.8Å; A543-C547 VanDerWaalsContact O-SG 3.38Å; V544-C547 PolarHBondContact O-N 2.56Å; C547-K552 WeakPolarHBondContact O-CG 3.47Å; C547-K552 PolarHBondContact O-N 2.91Å
548	Q	87.9	Confident	87.9	Confident	71 Å²	71	31 Å²	31	33%	0.332	16%	0.163	S	C	.	.	I	π-helix	trans	-80.5	-32.7	-175.1	-67.2	-178.2	9.9	0	0	114.6	V544 E545 W546 P553	V544-Q548 WeakPolarHBondContact O-CG 3.45Å; V544-Q548 PolarHBondContact O-N 3.35Å; E545-Q548 PolarHBondContact O-N 2.71Å; W546-Q548 VanDerWaalsContact C-N 3.34Å; W546-Q548 PolarHBondContact O-N 2.94Å; Q548-P553 WeakPolarHBondContact O-CD 3.4Å; Q548-P553 WeakPolarHBondContact O-CG 2.99Å
549	S	86.3	Confident	87.3	Confident	14 Å²	14	34.1 Å²	34.1	10%	0.098	19%	0.189	C	C	.	.	I	π-helix	trans	-104.3	-24.7	-171.1	-51.4	0	0	0	0	113.1	V486 E545	V486-S549 WeakPolarHBondContact CG1-O 3.39Å; E545-S549 WeakPolarHBondContact O-CA 3.27Å; E545-S549 WeakPolarHBondContact O-CB 3.44Å; E545-S549 PolarHBondContact O-N 3.3Å; E545-S549 PolarHBondContact O-OG 3.1Å
550	V	90.5	Very high	86.5	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.218	C	C	.	.	I	π-helix	trans	-114.1	-61.8	-177	-174.8	0	0	0	0	110.4	V486 A499 F502 W546 L554	V486-V550 HydrophobicContact CG1-CG2 4.36Å; A499-V550 HydrophobicContact CB-CG1 3.81Å; F502-V550 HydrophobicContact CB-CG2 3.85Å; F502-V550 HydrophobicContact CD1-CG2 3.64Å; F502-V550 HydrophobicContact CD2-CG2 3.83Å; F502-V550 HydrophobicContact CE1-CG2 4.12Å; F502-V550 HydrophobicContact CE2-CG2 4.31Å; F502-V550 HydrophobicContact CG-CG2 3.47Å; F502-V550 VanDerWaalsContact CG-CG2 3.47Å; F502-V550 HydrophobicContact CZ-CG2 4.44Å; W546-V550 HydrophobicContact CD2-CB 4.12Å; W546-V550 HydrophobicContact CD2-CG1 4.43Å; W546-V550 HydrophobicContact CD2-CG2 4.35Å; W546-V550 HydrophobicContact CE3-CB 3.8Å; W546-V550 HydrophobicContact CE3-CG1 4.04Å; W546-V550 HydrophobicContact CE3-CG2 3.59Å; W546-V550 HydrophobicContact CH2-CG1 3.92Å; W546-V550 HydrophobicContact CZ2-CG1 4.25Å; W546-V550 HydrophobicContact CZ3-CB 4.03Å; W546-V550 HydrophobicContact CZ3-CG1 3.76Å; W546-V550 HydrophobicContact CZ3-CG2 3.83Å; W546-V550 WeakPolarHBondContact O-CA 3.38Å; W546-V550 WeakPolarHBondContact O-CB 2.81Å; W546-V550 PolarHBondContact O-N 3.48Å; V550-L554 HydrophobicContact CG1-CD1 3.66Å; V550-L554 WeakPolarHBondContact O-CB 3.33Å; V550-L554 VanDerWaalsContact O-CG 3.31Å; V550-L554 WeakPolarHBondContact O-CG 3.46Å; V550-L554 PolarHBondContact O-N 3.07Å
551	V	88.7	Confident	85.6	Confident	32 Å²	32	42.3 Å²	42.3	19%	0.194	24%	0.236	C	C	.	.	I	π-helix	trans	-62.9	-55	-171.1	-177.7	0	0	0	0	111.6	W546 G555 C574	W546-V551 HydrophobicContact CG-CG2 4.37Å; W546-V551 PolarHBondContact O-N 3.08Å; V551-G555 WeakPolarHBondContact O-CA 3.37Å; V551-G555 PolarHBondContact O-N 2.84Å; V551-C574 HydrophobicContact CG2-CB 4.28Å
552	K	87.9	Confident	84.1	Confident	111 Å²	111	46.4 Å²	46.4	48%	0.483	26%	0.264	S	S	.	.	H	α-helix	trans	-61.1	-56	-179.9	-71.1	177.9	178.6	-169	0	112.6	C547 L554 G555 E556	C547-K552 WeakPolarHBondContact O-CG 3.47Å; C547-K552 PolarHBondContact O-N 2.91Å; K552-L554 PolarHBondContact O-N 3.1Å; K552-G555 PolarHBondContact O-N 3.22Å; K552-E556 WeakPolarHBondContact O-CG 3.41Å; K552-E556 PolarHBondContact O-N 3.22Å
553	P	87.1	Confident	82.5	Confident	13 Å²	13	54 Å²	54	8%	0.084	31%	0.305	C	S	.	.	H	α-helix	trans	-68	-39.7	-173.8	-21.4	36.2	0	0	0	113.4	Q548 I557	Q548-P553 WeakPolarHBondContact O-CD 3.4Å; Q548-P553 WeakPolarHBondContact O-CG 2.99Å; P553-I557 WeakPolarHBondContact O-CD1 2.86Å; P553-I557 VanDerWaalsContact O-CG1 3.24Å; P553-I557 WeakPolarHBondContact O-CG1 3.32Å; P553-I557 PolarHBondContact O-N 3.27Å; P553-I557 VanDerWaalsContact O-N 3.15Å
554	L	87.6	Confident	81.2	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-73.5	-33.4	178.5	-62.2	179.6	0	0	0	111.6	V486 G490 A495 A498 V550 K552 I557 L558 F570	V486-L554 HydrophobicContact CG1-CD1 4.08Å; V486-L554 HydrophobicContact CG1-CD2 4.17Å; V486-L554 HydrophobicContact CG1-CG 4.1Å; G490-L554 VanDerWaalsContact CA-CD2 3.45Å; A495-L554 HydrophobicContact CB-CD1 4.19Å; A495-L554 HydrophobicContact CB-CD2 4.35Å; A498-L554 HydrophobicContact CB-CD1 4.34Å; V550-L554 HydrophobicContact CG1-CD1 3.66Å; V550-L554 WeakPolarHBondContact O-CB 3.33Å; V550-L554 VanDerWaalsContact O-CG 3.31Å; V550-L554 WeakPolarHBondContact O-CG 3.46Å; V550-L554 PolarHBondContact O-N 3.07Å; K552-L554 PolarHBondContact O-N 3.1Å; L554-I557 HydrophobicContact CD2-CD1 4.39Å; L554-I557 PolarHBondContact O-N 2.8Å; L554-L558 WeakPolarHBondContact O-CB 3.4Å; L554-L558 WeakPolarHBondContact O-CD1 3.43Å; L554-L558 WeakPolarHBondContact O-CG 3.35Å; L554-L558 PolarHBondContact O-N 3.44Å; L554-F570 HydrophobicContact CB-CE1 3.66Å; L554-F570 HydrophobicContact CB-CZ 3.48Å; L554-F570 VanDerWaalsContact CB-CZ 3.48Å; L554-F570 HydrophobicContact CD1-CZ 3.91Å; L554-F570 HydrophobicContact CG-CZ 4.35Å
555	G	86	Confident	80.3	Confident	17 Å²	17	58.6 Å²	58.6	18%	0.175	34%	0.337	C	S	.	.	H	α-helix	trans	-60.6	-46.5	172.6	0	0	0	0	0	112.3	V551 K552 L558 A559	V551-G555 WeakPolarHBondContact O-CA 3.37Å; V551-G555 PolarHBondContact O-N 2.84Å; K552-G555 PolarHBondContact O-N 3.22Å; G555-L558 PolarHBondContact O-N 2.83Å; G555-A559 WeakPolarHBondContact O-CB 3.37Å; G555-A559 PolarHBondContact O-N 3.41Å
556	E	85.3	Confident	79.7	Confident	137 Å²	137	58.7 Å²	58.7	64%	0.64	34%	0.343	S	S	*	.	H	α-helix	trans	-61	-43.9	175.3	-72.4	168.4	-166.4	0	0	112.2	K552 L558 A559 S560	K552-E556 WeakPolarHBondContact O-CG 3.41Å; K552-E556 PolarHBondContact O-N 3.22Å; E556-L558 PolarHBondContact O-N 2.81Å; E556-A559 PolarHBondContact O-N 2.84Å; E556-S560 PolarHBondContact O-N 2.93Å
557	I	84.2	Confident	78.8	Confident	23 Å²	23	62.6 Å²	62.6	12%	0.118	37%	0.369	C	S	.	.	H	α-helix	trans	-63.2	-42.5	177.7	-68.8	164.6	0	0	0	111	L491 P553 L554 S560	L491-I557 HydrophobicContact CD2-CD1 4.13Å; L491-I557 HydrophobicContact CD2-CG1 4.07Å; L491-I557 HydrophobicContact CD2-CG2 4.13Å; L491-I557 HydrophobicContact CG-CD1 4.11Å; P553-I557 WeakPolarHBondContact O-CD1 2.86Å; P553-I557 VanDerWaalsContact O-CG1 3.24Å; P553-I557 WeakPolarHBondContact O-CG1 3.32Å; P553-I557 PolarHBondContact O-N 3.27Å; P553-I557 VanDerWaalsContact O-N 3.15Å; L554-I557 HydrophobicContact CD2-CD1 4.39Å; L554-I557 PolarHBondContact O-N 2.8Å; I557-S560 PolarHBondContact O-N 3.47Å; I557-S560 PolarHBondContact O-OG 2.78Å
558	L	81.2	Confident	78.3	Confident	31 Å²	31	64.7 Å²	64.7	16%	0.162	37%	0.373	C	S	.	.	H	α-helix	trans	-70.2	-38.2	179.5	-76.2	162.3	0	0	0	112	A495 L554 G555 E556 S560 K561 F570	A495-L558 HydrophobicContact CB-CD1 4.47Å; L554-L558 WeakPolarHBondContact O-CB 3.4Å; L554-L558 WeakPolarHBondContact O-CD1 3.43Å; L554-L558 WeakPolarHBondContact O-CG 3.35Å; L554-L558 PolarHBondContact O-N 3.44Å; G555-L558 PolarHBondContact O-N 2.83Å; E556-L558 PolarHBondContact O-N 2.81Å; L558-S560 PolarHBondContact O-N 2.96Å; L558-K561 PolarHBondContact O-N 2.61Å; L558-F570 HydrophobicContact CD1-CB 4.01Å; L558-F570 HydrophobicContact CD1-CD1 3.72Å; L558-F570 HydrophobicContact CD1-CD2 3.28Å; L558-F570 HydrophobicContact CD1-CE1 3.97Å; L558-F570 HydrophobicContact CD1-CE2 3.56Å; L558-F570 HydrophobicContact CD1-CG 3.36Å; L558-F570 HydrophobicContact CD1-CZ 3.9Å
559	A	78.6	Confident	77.9	Confident	75 Å²	75	66.5 Å²	66.5	62%	0.62	38%	0.381	S	S	*	.	H	α-helix	trans	-61.1	-30.4	174.7	0	0	0	0	0	112.6	G555 E556 K561	G555-A559 WeakPolarHBondContact O-CB 3.37Å; G555-A559 PolarHBondContact O-N 3.41Å; E556-A559 PolarHBondContact O-N 2.84Å; A559-K561 VanDerWaalsContact C-N 3.32Å
560	S	75	Confident	77.7	Confident	86 Å²	86	66.4 Å²	66.4	60%	0.601	38%	0.379	S	S	*	.	H	α-helix	trans	-72.9	-20.9	175.6	77.4	0	0	0	0	114.1	E556 I557 L558	E556-S560 PolarHBondContact O-N 2.93Å; I557-S560 PolarHBondContact O-N 3.47Å; I557-S560 PolarHBondContact O-OG 2.78Å; L558-S560 PolarHBondContact O-N 2.96Å
561	K	68.6	Low	77.4	Confident	88 Å²	88	70.8 Å²	70.8	38%	0.383	40%	0.399	S	S	.	.	S	Bend	trans	-95	106.5	-178.7	-69.8	-177.8	178.3	177.4	0	109.3	L491 L558 A559 N563 G564	L491-K561 PolarHBondContact O-NZ 2.9Å; L558-K561 PolarHBondContact O-N 2.61Å; A559-K561 VanDerWaalsContact C-N 3.32Å; K561-N563 PolarHBondContact O-N 3.48Å; K561-G564 PolarHBondContact O-N 2.72Å
562	T	56.6	Low	77.3	Confident	135 Å²	135	73 Å²	73	83%	0.828	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-16.9	-171.6	57.7	0	0	0	0	116
563	N	57.4	Low	77.2	Confident	158 Å²	158	71 Å²	71	85%	0.845	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	17.4	-173.9	-64	1	0	0	0	113.3	K561	K561-N563 PolarHBondContact O-N 3.48Å
564	G	61.7	Low	77.3	Confident	41 Å²	41	70.4 Å²	70.4	42%	0.423	40%	0.4	S	S	.	.	S	Bend	trans	-89.1	167.1	-174.7	0	0	0	0	0	115.4	K561	K561-G564 PolarHBondContact O-N 2.72Å
565	I	66.3	Low	77.3	Confident	84 Å²	84	71.9 Å²	71.9	43%	0.431	41%	0.41	S	S	.	.			trans	-45	137.9	163.7	-63.9	170.2	0	0	0	109.2	Q569 F570	I565-Q569 HydrophobicContact CG2-CB 3.32Å; I565-Q569 HydrophobicContact CG2-CG 4.44Å; I565-F570 HydrophobicContact CG2-CB 4.28Å
566	S	74.6	Confident	77.5	Confident	49 Å²	49	76.8 Å²	76.8	34%	0.343	43%	0.432	S	S	.	.			trans	-60.5	147.7	179.2	76.5	0	0	0	0	110.5	Q568 Q569 F570	S566-Q568 PolarHBondContact O-N 2.92Å; S566-Q568 VanDerWaalsContact O-N 3.12Å; S566-Q569 WeakPolarHBondContact O-CB 3.5Å; S566-Q569 PolarHBondContact O-N 3.44Å; S566-Q569 WeakPolarHBondContact OG-CB 3.25Å; S566-Q569 VanDerWaalsContact OG-CG 3.26Å; S566-Q569 WeakPolarHBondContact OG-CG 3.36Å; S566-Q569 PolarHBondContact OG-N 3.31Å; S566-F570 PolarHBondContact O-N 3.44Å
567	P	73.9	Confident	77.9	Confident	86 Å²	86	72.7 Å²	72.7	56%	0.558	41%	0.412	S	S	*	.	H	α-helix	trans	-54.6	-36.5	-179.1	20.5	-32.5	0	0	0	111.9	F570 E571	P567-F570 PolarHBondContact O-N 2.96Å; P567-E571 PolarHBondContact O-N 2.71Å
568	Q	78.4	Confident	78.3	Confident	107 Å²	107	72.2 Å²	72.2	50%	0.5	41%	0.409	S	S	.	.	H	α-helix	trans	-65.1	-43.2	175.3	-169.3	63.5	51.4	0	0	113.2	S566 F570 E571 N572	S566-Q568 PolarHBondContact O-N 2.92Å; S566-Q568 VanDerWaalsContact O-N 3.12Å; Q568-F570 VanDerWaalsContact C-N 3.3Å; Q568-F570 PolarHBondContact O-N 2.87Å; Q568-E571 PolarHBondContact O-N 3.33Å; Q568-N572 PolarHBondContact NE2-OD1 2.9Å; Q568-N572 WeakPolarHBondContact O-CB 3.46Å; Q568-N572 PolarHBondContact O-N 2.89Å; Q568-N572 PolarHBondContact O-ND2 3.14Å; Q568-N572 PolarHBondContact O-OD1 3.01Å
569	Q	80.4	Confident	79	Confident	109 Å²	109	75.2 Å²	75.2	51%	0.509	42%	0.419	S	S	.	.	H	α-helix	trans	-64	-38.9	177.3	-78.6	172.8	-21.7	0	0	111.1	I565 S566 N572 I573	I565-Q569 HydrophobicContact CG2-CB 3.32Å; I565-Q569 HydrophobicContact CG2-CG 4.44Å; S566-Q569 WeakPolarHBondContact O-CB 3.5Å; S566-Q569 PolarHBondContact O-N 3.44Å; S566-Q569 WeakPolarHBondContact OG-CB 3.25Å; S566-Q569 VanDerWaalsContact OG-CG 3.26Å; S566-Q569 WeakPolarHBondContact OG-CG 3.36Å; S566-Q569 PolarHBondContact OG-N 3.31Å; Q569-N572 PolarHBondContact O-N 3.3Å; Q569-I573 VanDerWaalsContact O-CG1 3.29Å; Q569-I573 WeakPolarHBondContact O-CG1 3.49Å; Q569-I573 PolarHBondContact O-N 3.23Å
570	F	81.7	Confident	79.7	Confident	12 Å²	12	74.4 Å²	74.4	5%	0.053	41%	0.409	C	S	.	.	H	α-helix	trans	-66.4	-43.8	176.3	179	-105.7	0	0	0	112.2	A495 L554 L558 I565 S566 P567 Q568 N572 I573 C574	A495-F570 HydrophobicContact CB-CE2 3.99Å; A495-F570 HydrophobicContact CB-CZ 4.38Å; L554-F570 HydrophobicContact CB-CE1 3.66Å; L554-F570 HydrophobicContact CB-CZ 3.48Å; L554-F570 VanDerWaalsContact CB-CZ 3.48Å; L554-F570 HydrophobicContact CD1-CZ 3.91Å; L554-F570 HydrophobicContact CG-CZ 4.35Å; L558-F570 HydrophobicContact CD1-CB 4.01Å; L558-F570 HydrophobicContact CD1-CD1 3.72Å; L558-F570 HydrophobicContact CD1-CD2 3.28Å; L558-F570 HydrophobicContact CD1-CE1 3.97Å; L558-F570 HydrophobicContact CD1-CE2 3.56Å; L558-F570 HydrophobicContact CD1-CG 3.36Å; L558-F570 HydrophobicContact CD1-CZ 3.9Å; I565-F570 HydrophobicContact CG2-CB 4.28Å; S566-F570 PolarHBondContact O-N 3.44Å; P567-F570 PolarHBondContact O-N 2.96Å; Q568-F570 VanDerWaalsContact C-N 3.3Å; Q568-F570 PolarHBondContact O-N 2.87Å; F570-N572 VanDerWaalsContact C-N 3.31Å; F570-N572 PolarHBondContact O-N 3.25Å; F570-I573 PolarHBondContact O-N 3.42Å; F570-C574 VanDerWaalsContact CE1-SG 3.54Å; F570-C574 WeakPolarHBondContact CZ-SG 3.3Å; F570-C574 PolarHBondContact O-N 3.43Å; F570-C574 PolarHBondContact O-SG 3.23Å
571	E	84.6	Confident	80.7	Confident	91 Å²	91	71 Å²	71	43%	0.425	38%	0.383	S	S	.	.	H	α-helix	trans	-58.5	-44.4	174.5	-171.6	178.5	173	0	0	111.2	P567 Q568 I573 C574 S575	P567-E571 PolarHBondContact O-N 2.71Å; Q568-E571 PolarHBondContact O-N 3.33Å; E571-I573 VanDerWaalsContact C-N 3.35Å; E571-I573 PolarHBondContact O-N 2.85Å; E571-C574 WeakPolarHBondContact O-CB 3.19Å; E571-C574 PolarHBondContact O-N 3.37Å; E571-S575 PolarHBondContact O-N 2.95Å; E571-S575 PolarHBondContact O-OG 3Å; E571-S575 VanDerWaalsContact O-OG 3.1Å
572	N	85.7	Confident	82	Confident	80 Å²	80	66.8 Å²	66.8	43%	0.428	37%	0.365	S	S	.	.	H	α-helix	trans	-60.1	-42.6	176.2	-67	-11.1	0	0	0	112.2	Q568 Q569 F570 S575 L576	Q568-N572 PolarHBondContact NE2-OD1 2.9Å; Q568-N572 WeakPolarHBondContact O-CB 3.46Å; Q568-N572 PolarHBondContact O-N 2.89Å; Q568-N572 PolarHBondContact O-ND2 3.14Å; Q568-N572 PolarHBondContact O-OD1 3.01Å; Q569-N572 PolarHBondContact O-N 3.3Å; F570-N572 VanDerWaalsContact C-N 3.31Å; F570-N572 PolarHBondContact O-N 3.25Å; N572-S575 PolarHBondContact O-N 3.05Å; N572-L576 WeakPolarHBondContact O-CB 3.36Å; N572-L576 VanDerWaalsContact O-CG 3.28Å; N572-L576 WeakPolarHBondContact O-CG 3.35Å; N572-L576 PolarHBondContact O-N 3.06Å
573	I	86.3	Confident	83.9	Confident	67 Å²	67	63.3 Å²	63.3	34%	0.344	34%	0.341	S	S	.	.	H	α-helix	trans	-63.3	-43.2	176.1	-68.4	163.8	0	0	0	110.7	Q569 F570 E571 L576 K577	Q569-I573 VanDerWaalsContact O-CG1 3.29Å; Q569-I573 WeakPolarHBondContact O-CG1 3.49Å; Q569-I573 PolarHBondContact O-N 3.23Å; F570-I573 PolarHBondContact O-N 3.42Å; E571-I573 VanDerWaalsContact C-N 3.35Å; E571-I573 PolarHBondContact O-N 2.85Å; I573-L576 PolarHBondContact O-N 3.11Å; I573-K577 HydrophobicContact CG2-CD 4.28Å; I573-K577 WeakPolarHBondContact O-CG 3.33Å; I573-K577 PolarHBondContact O-N 2.69Å
574	C	88.3	Confident	85.7	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.007	32%	0.321	C	S	.	.	H	α-helix	trans	-62	-46.7	176.6	-76	0	0	0	0	111.6	W546 V551 F570 E571 L576 K577 F578	W546-C574 HydrophobicContact CZ2-CB 3.76Å; W546-C574 VanDerWaalsContact CZ2-O 3.3Å; W546-C574 WeakPolarHBondContact CZ2-O 3.3Å; V551-C574 HydrophobicContact CG2-CB 4.28Å; F570-C574 VanDerWaalsContact CE1-SG 3.54Å; F570-C574 WeakPolarHBondContact CZ-SG 3.3Å; F570-C574 PolarHBondContact O-N 3.43Å; F570-C574 PolarHBondContact O-SG 3.23Å; E571-C574 WeakPolarHBondContact O-CB 3.19Å; E571-C574 PolarHBondContact O-N 3.37Å; C574-L576 PolarHBondContact O-N 2.95Å; C574-K577 PolarHBondContact O-N 3.02Å; C574-F578 WeakPolarHBondContact O-CB 3.39Å; C574-F578 PolarHBondContact O-N 2.86Å
575	S	89.2	Confident	87.3	Confident	32 Å²	32	58.5 Å²	58.5	22%	0.224	30%	0.302	C	S	.	.	H	α-helix	trans	-60.4	-46.4	177.5	-62.2	0	0	0	0	111.5	E571 N572 K577 F578 Y579	E571-S575 PolarHBondContact O-N 2.95Å; E571-S575 PolarHBondContact O-OG 3Å; E571-S575 VanDerWaalsContact O-OG 3.1Å; N572-S575 PolarHBondContact O-N 3.05Å; S575-K577 PolarHBondContact O-N 2.94Å; S575-F578 PolarHBondContact O-N 3.26Å; S575-Y579 WeakPolarHBondContact O-CB 3.48Å; S575-Y579 WeakPolarHBondContact O-CD1 3.31Å; S575-Y579 VanDerWaalsContact O-CD2 3.32Å; S575-Y579 WeakPolarHBondContact O-CD2 3.46Å; S575-Y579 PolarHBondContact O-N 2.77Å
576	L	90.6	Very high	88.7	Confident	121 Å²	121	54.5 Å²	54.5	63%	0.634	28%	0.282	S	S	*	.	H	α-helix	trans	-58.7	-44.2	176.3	-73.4	168.9	0	0	0	112.4	N572 I573 C574 Y579 S580	N572-L576 WeakPolarHBondContact O-CB 3.36Å; N572-L576 VanDerWaalsContact O-CG 3.28Å; N572-L576 WeakPolarHBondContact O-CG 3.35Å; N572-L576 PolarHBondContact O-N 3.06Å; I573-L576 PolarHBondContact O-N 3.11Å; C574-L576 PolarHBondContact O-N 2.95Å; L576-Y579 PolarHBondContact O-N 3.18Å; L576-S580 PolarHBondContact O-N 3.48Å
577	K	91.9	Very high	89.7	Confident	51 Å²	51	56 Å²	56	22%	0.222	28%	0.283	C	S	.	.	H	α-helix	trans	-63.5	-44.9	176.6	-75.7	179.7	175.4	-63.9	0	112	S496 E500 L503 I573 C574 S575 S580 W581	S496-K577 VanDerWaalsContact OG-CE 3.23Å; S496-K577 WeakPolarHBondContact OG-CE 3.46Å; S496-K577 PolarHBondContact OG-NZ 3.49Å; E500-K577 HydrophobicContact CG-CD 4.5Å; E500-K577 IonicContact OE1-NZ 3.74Å; E500-K577 PolarHBondContact OE1-NZ 3.39Å; L503-K577 HydrophobicContact CD1-CB 4.37Å; I573-K577 HydrophobicContact CG2-CD 4.28Å; I573-K577 WeakPolarHBondContact O-CG 3.33Å; I573-K577 PolarHBondContact O-N 2.69Å; C574-K577 PolarHBondContact O-N 3.02Å; S575-K577 PolarHBondContact O-N 2.94Å; K577-S580 PolarHBondContact O-N 3.41Å; K577-W581 WeakPolarHBondContact O-CB 3.1Å; K577-W581 PolarHBondContact O-N 3.5Å
578	F	94.3	Very high	90.7	Very high	13 Å²	13	56.8 Å²	56.8	6%	0.057	28%	0.278	C	S	.	.	H	α-helix	trans	-64.1	-40.5	178.6	179.3	-105.9	0	0	0	112	L503 T542 A543 W546 C574 S575 W581 T582 L626	L503-F578 HydrophobicContact CD2-CD2 4.24Å; T542-F578 HydrophobicContact CG2-CE2 4.27Å; A543-F578 HydrophobicContact CB-CE1 4.24Å; A543-F578 HydrophobicContact CB-CE2 4.34Å; A543-F578 HydrophobicContact CB-CZ 3.6Å; W546-F578 HydrophobicContact CB-CD2 4.29Å; W546-F578 HydrophobicContact CB-CE2 4.39Å; W546-F578 HydrophobicContact CD2-CB 4.47Å; W546-F578 HydrophobicContact CD2-CD2 4.16Å; W546-F578 AromaticContact CG-CD2 3.92Å; W546-F578 HydrophobicContact CG-CD2 3.92Å; W546-F578 HydrophobicContact CG-CE2 4.48Å; W546-F578 HydrophobicContact CG-CG 4.38Å; W546-F578 HydrophobicContact CZ2-CB 4.14Å; C574-F578 WeakPolarHBondContact O-CB 3.39Å; C574-F578 PolarHBondContact O-N 2.86Å; S575-F578 PolarHBondContact O-N 3.26Å; F578-W581 HydrophobicContact CD2-CE3 4.3Å; F578-W581 HydrophobicContact CE2-CE3 4.12Å; F578-W581 HydrophobicContact CE2-CZ3 4.12Å; F578-W581 PolarHBondContact O-N 2.93Å; F578-T582 WeakPolarHBondContact O-CB 3.36Å; F578-T582 PolarHBondContact O-N 3Å; F578-T582 PolarHBondContact O-OG1 3.32Å; F578-L626 HydrophobicContact CZ-CD1 4.48Å
579	Y	94.2	Very high	91.5	Very high	93 Å²	93	51.9 Å²	51.9	37%	0.365	26%	0.255	S	S	.	.	H	α-helix	trans	-67.6	-45.2	177.5	-60.5	-18.3	0	0	0	111.7	S575 L576 W581 T582 L583 V628	S575-Y579 WeakPolarHBondContact O-CB 3.48Å; S575-Y579 WeakPolarHBondContact O-CD1 3.31Å; S575-Y579 VanDerWaalsContact O-CD2 3.32Å; S575-Y579 WeakPolarHBondContact O-CD2 3.46Å; S575-Y579 PolarHBondContact O-N 2.77Å; L576-Y579 PolarHBondContact O-N 3.18Å; Y579-W581 VanDerWaalsContact C-N 3.33Å; Y579-W581 PolarHBondContact O-N 3.38Å; Y579-T582 PolarHBondContact O-N 2.77Å; Y579-L583 WeakPolarHBondContact O-CG 3.4Å; Y579-L583 PolarHBondContact O-N 2.83Å; Y579-V628 HydrophobicContact CD1-CG2 3.23Å; Y579-V628 HydrophobicContact CE1-CG2 3.56Å; Y579-V628 HydrophobicContact CG-CG2 3.96Å
580	S	94	Very high	92.1	Very high	59 Å²	59	46.7 Å²	46.7	41%	0.413	23%	0.231	S	C	.	.	H	α-helix	trans	-56.6	-48.7	174.2	-166.6	0	0	0	0	111.1	L576 K577 T582 L583 E584	L576-S580 PolarHBondContact O-N 3.48Å; K577-S580 PolarHBondContact O-N 3.41Å; S580-T582 PolarHBondContact O-N 3.43Å; S580-L583 PolarHBondContact O-N 2.96Å; S580-E584 WeakPolarHBondContact O-CG 3.44Å; S580-E584 PolarHBondContact O-N 3.06Å; S580-E584 PolarHBondContact OG-OE1 3.33Å
581	W	96.5	Very high	92.5	Very high	13 Å²	13	50.9 Å²	50.9	5%	0.049	25%	0.251	C	S	.	.	H	α-helix	trans	-60.6	-44.2	178.3	175.5	83.2	0	0	0	112.6	L503 R506 S507 L539 T542 K577 F578 Y579 L583 E584 E585	L503-W581 HydrophobicContact CB-CD2 4.47Å; L503-W581 HydrophobicContact CB-CG 4.02Å; L503-W581 HydrophobicContact CD1-CB 3.87Å; L503-W581 HydrophobicContact CD1-CG 4.09Å; L503-W581 HydrophobicContact CD2-CB 4.31Å; L503-W581 HydrophobicContact CD2-CD2 3.76Å; L503-W581 HydrophobicContact CD2-CE3 4.07Å; L503-W581 HydrophobicContact CD2-CG 3.86Å; L503-W581 HydrophobicContact CG-CB 4.49Å; L503-W581 HydrophobicContact CG-CG 4.19Å; L503-W581 PolarHBondContact O-NE1 3.31Å; R506-W581 HydrophobicContact CB-CH2 4.36Å; R506-W581 HydrophobicContact CB-CZ2 3.92Å; S507-W581 PolarHBondContact OG-NE1 3.31Å; L539-W581 HydrophobicContact CD2-CH2 3.86Å; L539-W581 HydrophobicContact CD2-CZ3 3.65Å; T542-W581 HydrophobicContact CG2-CE3 4.47Å; T542-W581 HydrophobicContact CG2-CH2 3.45Å; T542-W581 VanDerWaalsContact CG2-CH2 3.45Å; T542-W581 HydrophobicContact CG2-CZ2 4.21Å; T542-W581 HydrophobicContact CG2-CZ3 3.59Å; K577-W581 WeakPolarHBondContact O-CB 3.1Å; K577-W581 PolarHBondContact O-N 3.5Å; F578-W581 HydrophobicContact CD2-CE3 4.3Å; F578-W581 HydrophobicContact CE2-CE3 4.12Å; F578-W581 HydrophobicContact CE2-CZ3 4.12Å; F578-W581 PolarHBondContact O-N 2.93Å; Y579-W581 VanDerWaalsContact C-N 3.33Å; Y579-W581 PolarHBondContact O-N 3.38Å; W581-L583 VanDerWaalsContact C-N 3.29Å; W581-L583 PolarHBondContact O-N 3.21Å; W581-E584 PolarHBondContact O-N 3.29Å; W581-E585 HydrophobicContact CD2-CG 3.98Å; W581-E585 HydrophobicContact CG-CG 4.37Å; W581-E585 HydrophobicContact CH2-CG 4.3Å; W581-E585 HydrophobicContact CZ2-CG 3.71Å; W581-E585 WeakPolarHBondContact O-CB 3.41Å; W581-E585 WeakPolarHBondContact O-CG 3.32Å; W581-E585 PolarHBondContact O-N 3.42Å
582	T	95.6	Very high	92.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.2	-41.2	178.7	-60.2	0	0	0	0	111.2	L539 F578 Y579 S580 T586 V628 I630	L539-T582 HydrophobicContact CD1-CG2 4.42Å; L539-T582 HydrophobicContact CD2-CG2 4.41Å; F578-T582 WeakPolarHBondContact O-CB 3.36Å; F578-T582 PolarHBondContact O-N 3Å; F578-T582 PolarHBondContact O-OG1 3.32Å; Y579-T582 PolarHBondContact O-N 2.77Å; S580-T582 PolarHBondContact O-N 3.43Å; T582-T586 WeakPolarHBondContact O-CB 3.43Å; T582-T586 PolarHBondContact O-N 3Å; T582-T586 PolarHBondContact O-OG1 3.47Å; T582-V628 HydrophobicContact CG2-CB 4.4Å; T582-V628 HydrophobicContact CG2-CG1 3.91Å; T582-I630 HydrophobicContact CG2-CD1 3.94Å; T582-I630 HydrophobicContact CG2-CG1 3.9Å
583	L	95.5	Very high	93.1	Very high	63 Å²	63	45.3 Å²	45.3	33%	0.33	22%	0.222	S	C	.	.	H	α-helix	trans	-68.9	-43.1	177.3	-66.1	174.9	0	0	0	112.1	Y579 S580 W581 T586 E587 V628 T633	Y579-L583 WeakPolarHBondContact O-CG 3.4Å; Y579-L583 PolarHBondContact O-N 2.83Å; S580-L583 PolarHBondContact O-N 2.96Å; W581-L583 VanDerWaalsContact C-N 3.29Å; W581-L583 PolarHBondContact O-N 3.21Å; L583-T586 PolarHBondContact O-N 2.89Å; L583-E587 PolarHBondContact O-N 3.42Å; L583-V628 HydrophobicContact CD2-CG1 3.96Å; L583-V628 HydrophobicContact CG-CG1 4.21Å; L583-T633 HydrophobicContact CD2-CG2 4.37Å; L583-T633 VanDerWaalsContact CD2-OG1 3.32Å; L583-T633 WeakPolarHBondContact CD2-OG1 3.26Å
584	E	95.6	Very high	93.2	Very high	93 Å²	93	46.7 Å²	46.7	44%	0.435	22%	0.223	S	C	.	.	H	α-helix	trans	-61.5	-43.9	176.2	-73.5	169.9	-145.5	0	0	112.2	S580 W581 E587 K588	S580-E584 WeakPolarHBondContact O-CG 3.44Å; S580-E584 PolarHBondContact O-N 3.06Å; S580-E584 PolarHBondContact OG-OE1 3.33Å; W581-E584 PolarHBondContact O-N 3.29Å; E584-E587 PolarHBondContact O-N 2.96Å; E584-K588 WeakPolarHBondContact O-CG 3.22Å; E584-K588 PolarHBondContact O-N 2.9Å
585	E	95.9	Very high	93.1	Very high	5 Å²	5	50.3 Å²	50.3	2%	0.023	25%	0.245	C	C	.	.	H	α-helix	trans	-68.2	-36.1	177	-69.9	-54.6	143.1	0	0	112.3	S507 M510 W581 E587 K588 F589	S507-E585 WeakPolarHBondContact CB-OE1 3.46Å; S507-E585 PolarHBondContact OG-OE1 3.16Å; M510-E585 HydrophobicContact CE-CB 3.57Å; M510-E585 HydrophobicContact CE-CG 3.65Å; M510-E585 WeakPolarHBondContact CE-OE2 3.3Å; W581-E585 HydrophobicContact CD2-CG 3.98Å; W581-E585 HydrophobicContact CG-CG 4.37Å; W581-E585 HydrophobicContact CH2-CG 4.3Å; W581-E585 HydrophobicContact CZ2-CG 3.71Å; W581-E585 WeakPolarHBondContact O-CB 3.41Å; W581-E585 WeakPolarHBondContact O-CG 3.32Å; W581-E585 PolarHBondContact O-N 3.42Å; E585-E587 VanDerWaalsContact C-N 3.33Å; E585-K588 PolarHBondContact O-N 3.13Å; E585-K588 IonicContact OE1-NZ 3.87Å; E585-K588 PolarHBondContact OE1-NZ 2.89Å; E585-F589 WeakPolarHBondContact O-CB 3.34Å; E585-F589 PolarHBondContact O-N 3.48Å
586	T	95.9	Very high	92.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.3	-40.1	172.1	-58.5	0	0	0	0	111.6	T582 L583 F589 G590 I630 T633 L634	T582-T586 WeakPolarHBondContact O-CB 3.43Å; T582-T586 PolarHBondContact O-N 3Å; T582-T586 PolarHBondContact O-OG1 3.47Å; L583-T586 PolarHBondContact O-N 2.89Å; T586-F589 PolarHBondContact O-N 2.73Å; T586-G590 PolarHBondContact O-N 2.86Å; T586-I630 HydrophobicContact CG2-CG2 3.86Å; T586-T633 HydrophobicContact CG2-CG2 3.89Å; T586-L634 HydrophobicContact CG2-CB 4.12Å
587	E	95.2	Very high	92.4	Very high	81 Å²	81	45.1 Å²	45.1	38%	0.379	22%	0.215	S	C	.	.	H	α-helix	trans	-65.7	-44.7	176.1	-172.7	173.7	169.8	0	0	111.7	L583 E584 E585 F589 G590 Q591	L583-E587 PolarHBondContact O-N 3.42Å; E584-E587 PolarHBondContact O-N 2.96Å; E585-E587 VanDerWaalsContact C-N 3.33Å; E587-F589 VanDerWaalsContact C-N 3.33Å; E587-F589 PolarHBondContact O-N 2.87Å; E587-G590 PolarHBondContact O-N 3.47Å; E587-Q591 WeakPolarHBondContact O-CG 3.26Å; E587-Q591 PolarHBondContact O-N 3.37Å; E587-Q591 PolarHBondContact OE1-NE2 3.1Å
588	K	94	Very high	91.6	Very high	102 Å²	102	44.2 Å²	44.2	44%	0.443	21%	0.212	S	C	.	.	H	α-helix	trans	-58.3	-44.7	175	-69.4	170.6	-162.6	168	0	111.7	E584 E585 Q591 Q592	E584-K588 WeakPolarHBondContact O-CG 3.22Å; E584-K588 PolarHBondContact O-N 2.9Å; E585-K588 PolarHBondContact O-N 3.13Å; E585-K588 IonicContact OE1-NZ 3.87Å; E585-K588 PolarHBondContact OE1-NZ 2.89Å; K588-Q591 PolarHBondContact O-N 2.92Å; K588-Q592 PolarHBondContact O-N 2.98Å
589	F	95.3	Very high	90.5	Very high	3 Å²	3	48 Å²	48	1%	0.013	23%	0.233	C	C	.	.	H	α-helix	trans	-64.1	-42.3	176	179.9	-116.7	0	0	0	112.1	L514 L531 F535 E585 T586 E587 Q591 Q592 L593 L634	L514-F589 HydrophobicContact CD1-CD2 4.34Å; L531-F589 HydrophobicContact CB-CE2 4.34Å; F535-F589 HydrophobicContact CB-CD1 4.28Å; F535-F589 HydrophobicContact CB-CD2 3.96Å; F535-F589 HydrophobicContact CB-CE1 4.11Å; F535-F589 HydrophobicContact CB-CE2 3.79Å; F535-F589 HydrophobicContact CB-CG 4.21Å; F535-F589 HydrophobicContact CB-CZ 3.86Å; F535-F589 HydrophobicContact CD1-CB 4.35Å; F535-F589 AromaticContact CD1-CD1 3.34Å; F535-F589 HydrophobicContact CD1-CD1 3.34Å; F535-F589 HydrophobicContact CD1-CD2 4.39Å; F535-F589 AromaticContact CD1-CE1 3.59Å; F535-F589 HydrophobicContact CD1-CE1 3.59Å; F535-F589 AromaticContact CD1-CG 3.77Å; F535-F589 HydrophobicContact CD1-CG 3.77Å; F535-F589 HydrophobicContact CD1-CZ 4.24Å; F535-F589 HydrophobicContact CD2-CB 3.74Å; F535-F589 HydrophobicContact CD2-CD1 4.15Å; F535-F589 AromaticContact CD2-CD2 3.95Å; F535-F589 HydrophobicContact CD2-CD2 3.95Å; F535-F589 AromaticContact CD2-CG 3.68Å; F535-F589 HydrophobicContact CD2-CG 3.68Å; F535-F589 HydrophobicContact CE1-CB 4.18Å; F535-F589 AromaticContact CE1-CD1 3.59Å; F535-F589 HydrophobicContact CE1-CD1 3.59Å; F535-F589 HydrophobicContact CE1-CE1 4.24Å; F535-F589 HydrophobicContact CE1-CG 4.04Å; F535-F589 HydrophobicContact CE2-CB 3.54Å; F535-F589 HydrophobicContact CE2-CD1 4.35Å; F535-F589 AromaticContact CE2-CG 3.94Å; F535-F589 HydrophobicContact CE2-CG 3.94Å; F535-F589 HydrophobicContact CG-CB 4.14Å; F535-F589 AromaticContact CG-CD1 3.64Å; F535-F589 HydrophobicContact CG-CD1 3.64Å; F535-F589 AromaticContact CG-CD2 3.82Å; F535-F589 HydrophobicContact CG-CD2 3.82Å; F535-F589 AromaticContact CG-CE1 3.91Å; F535-F589 HydrophobicContact CG-CE1 3.91Å; F535-F589 HydrophobicContact CG-CE2 4.1Å; F535-F589 AromaticContact CG-CG 3.59Å; F535-F589 HydrophobicContact CG-CG 3.59Å; F535-F589 HydrophobicContact CG-CZ 4.14Å; F535-F589 HydrophobicContact CZ-CB 3.78Å; F535-F589 HydrophobicContact CZ-CD1 4.1Å; F535-F589 HydrophobicContact CZ-CG 4.12Å; E585-F589 WeakPolarHBondContact O-CB 3.34Å; E585-F589 PolarHBondContact O-N 3.48Å; T586-F589 PolarHBondContact O-N 2.73Å; E587-F589 VanDerWaalsContact C-N 3.33Å; E587-F589 PolarHBondContact O-N 2.87Å; F589-Q591 VanDerWaalsContact C-N 3.3Å; F589-Q591 PolarHBondContact O-N 3.36Å; F589-Q592 WeakPolarHBondContact O-CB 3.43Å; F589-Q592 PolarHBondContact O-N 2.7Å; F589-L593 HydrophobicContact CD1-CD1 3.96Å; F589-L593 HydrophobicContact CD1-CG 4.5Å; F589-L593 HydrophobicContact CD2-CG 4.49Å; F589-L593 HydrophobicContact CE1-CD1 3.43Å; F589-L593 VanDerWaalsContact CE1-CD1 3.43Å; F589-L593 HydrophobicContact CE1-CG 4.1Å; F589-L593 HydrophobicContact CE2-CD1 4.3Å; F589-L593 HydrophobicContact CE2-CD2 4.27Å; F589-L593 HydrophobicContact CE2-CG 4.08Å; F589-L593 HydrophobicContact CZ-CD1 3.62Å; F589-L593 HydrophobicContact CZ-CD2 4.05Å; F589-L593 HydrophobicContact CZ-CG 3.87Å; F589-L593 WeakPolarHBondContact O-CG 3.25Å; F589-L593 PolarHBondContact O-N 2.9Å; F589-L634 HydrophobicContact CD1-CD1 4.24Å
590	G	93.5	Very high	89.4	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60	-38.5	174	0	0	0	0	0	113	T586 E587 R594 S637 L638	T586-G590 PolarHBondContact O-N 2.86Å; E587-G590 PolarHBondContact O-N 3.47Å; G590-R594 WeakPolarHBondContact O-CB 3.33Å; G590-R594 PolarHBondContact O-N 2.8Å; G590-S637 VanDerWaalsContact C-OG 3.29Å; G590-S637 WeakPolarHBondContact CA-OG 3.48Å; G590-L638 WeakPolarHBondContact O-CD2 3.26Å
591	Q	91.2	Very high	88.3	Confident	101 Å²	101	50.4 Å²	50.4	47%	0.472	25%	0.246	S	C	.	.	H	α-helix	trans	-67.2	-42.4	173.8	-69.4	175.3	16.8	0	0	111.8	E587 K588 F589 L593 R594 V595	E587-Q591 WeakPolarHBondContact O-CG 3.26Å; E587-Q591 PolarHBondContact O-N 3.37Å; E587-Q591 PolarHBondContact OE1-NE2 3.1Å; K588-Q591 PolarHBondContact O-N 2.92Å; F589-Q591 VanDerWaalsContact C-N 3.3Å; F589-Q591 PolarHBondContact O-N 3.36Å; Q591-L593 PolarHBondContact O-N 2.78Å; Q591-R594 WeakPolarHBondContact O-CB 3.11Å; Q591-R594 PolarHBondContact O-N 2.71Å; Q591-V595 PolarHBondContact O-N 3.35Å; Q591-V595 VanDerWaalsContact O-N 3.15Å
592	Q	91	Very high	87.2	Confident	54 Å²	54	52.4 Å²	52.4	25%	0.252	27%	0.266	S	S	.	.	H	α-helix	trans	-59.2	-47	174.6	-174.8	-176	13.2	0	0	111.4	K588 F589 R594 V595 L596	K588-Q592 PolarHBondContact O-N 2.98Å; F589-Q592 WeakPolarHBondContact O-CB 3.43Å; F589-Q592 PolarHBondContact O-N 2.7Å; Q592-R594 VanDerWaalsContact C-N 3.33Å; Q592-R594 PolarHBondContact O-N 2.78Å; Q592-V595 PolarHBondContact O-N 2.92Å; Q592-L596 HydrophobicContact CG-CD1 4.39Å; Q592-L596 WeakPolarHBondContact O-CG 3.23Å; Q592-L596 PolarHBondContact O-N 3.38Å; Q592-L596 VanDerWaalsContact O-N 3.12Å
593	L	91	Very high	86.5	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62	-40.8	176.5	-74.4	178.8	0	0	0	111.8	L528 F589 Q591 V595 L596 L597 I615 L634 L638	L528-L593 HydrophobicContact CD2-CD2 3.92Å; F589-L593 HydrophobicContact CD1-CD1 3.96Å; F589-L593 HydrophobicContact CD1-CG 4.5Å; F589-L593 HydrophobicContact CD2-CG 4.49Å; F589-L593 HydrophobicContact CE1-CD1 3.43Å; F589-L593 VanDerWaalsContact CE1-CD1 3.43Å; F589-L593 HydrophobicContact CE1-CG 4.1Å; F589-L593 HydrophobicContact CE2-CD1 4.3Å; F589-L593 HydrophobicContact CE2-CD2 4.27Å; F589-L593 HydrophobicContact CE2-CG 4.08Å; F589-L593 HydrophobicContact CZ-CD1 3.62Å; F589-L593 HydrophobicContact CZ-CD2 4.05Å; F589-L593 HydrophobicContact CZ-CG 3.87Å; F589-L593 WeakPolarHBondContact O-CG 3.25Å; F589-L593 PolarHBondContact O-N 2.9Å; Q591-L593 PolarHBondContact O-N 2.78Å; L593-V595 VanDerWaalsContact C-N 3.31Å; L593-V595 PolarHBondContact O-N 2.97Å; L593-L596 PolarHBondContact O-N 2.95Å; L593-L597 VanDerWaalsContact O-CB 3.32Å; L593-L597 WeakPolarHBondContact O-CB 3.47Å; L593-L597 WeakPolarHBondContact O-CG 3.29Å; L593-L597 PolarHBondContact O-N 3.48Å; L593-I615 HydrophobicContact CD1-CD1 3.97Å; L593-I615 HydrophobicContact CD1-CG2 4.35Å; L593-I615 HydrophobicContact CD2-CD1 4.33Å; L593-L634 HydrophobicContact CD1-CD1 4.36Å; L593-L638 HydrophobicContact CB-CD2 3.88Å; L593-L638 HydrophobicContact CD1-CD1 4.15Å
594	R	89.1	Confident	86	Confident	95 Å²	95	53.2 Å²	53.2	36%	0.358	28%	0.276	S	S	.	.	H	α-helix	trans	-57.1	-44.6	176.4	173.3	179.2	160	-156.9	-10.6	112	G590 Q591 Q592 L596 L597 I598 L638 A641	G590-R594 WeakPolarHBondContact O-CB 3.33Å; G590-R594 PolarHBondContact O-N 2.8Å; Q591-R594 WeakPolarHBondContact O-CB 3.11Å; Q591-R594 PolarHBondContact O-N 2.71Å; Q592-R594 VanDerWaalsContact C-N 3.33Å; Q592-R594 PolarHBondContact O-N 2.78Å; R594-L596 VanDerWaalsContact C-N 3.35Å; R594-L597 PolarHBondContact O-N 3.42Å; R594-I598 HydrophobicContact CG-CD1 3.79Å; R594-I598 HydrophobicContact CG-CG1 4.39Å; R594-I598 WeakPolarHBondContact O-CB 3.34Å; R594-I598 WeakPolarHBondContact O-CG1 3.42Å; R594-I598 PolarHBondContact O-N 2.88Å; R594-L638 HydrophobicContact CB-CD2 4.49Å; R594-A641 HydrophobicContact CB-CB 4.41Å; R594-A641 HydrophobicContact CG-CB 4.01Å
595	V	86.2	Confident	85.6	Confident	78 Å²	78	49.3 Å²	49.3	47%	0.473	26%	0.257	S	S	.	.	I	π-helix	trans	-63	-43.8	177.5	174	0	0	0	0	110.5	Q591 Q592 L593 L597 D599 S600	Q591-V595 PolarHBondContact O-N 3.35Å; Q591-V595 VanDerWaalsContact O-N 3.15Å; Q592-V595 PolarHBondContact O-N 2.92Å; L593-V595 VanDerWaalsContact C-N 3.31Å; L593-V595 PolarHBondContact O-N 2.97Å; V595-L597 PolarHBondContact O-N 3.18Å; V595-D599 HydrophobicContact CG1-CB 4.25Å; V595-D599 WeakPolarHBondContact O-CB 3.38Å; V595-D599 PolarHBondContact O-N 3.18Å; V595-S600 PolarHBondContact O-N 3.3Å
596	L	83.3	Confident	85.2	Confident	33 Å²	33	52.5 Å²	52.5	17%	0.173	27%	0.27	C	S	.	.	I	π-helix	trans	-66.4	-35.9	178.4	-68.1	172.1	0	0	0	112.9	Y527 L528 L531 Q592 L593 R594 S600	Y527-L596 HydrophobicContact CE1-CD1 3.86Å; Y527-L596 HydrophobicContact CE1-CD2 4.12Å; L528-L596 HydrophobicContact CD2-CB 4.42Å; L528-L596 HydrophobicContact CD2-CD1 4.34Å; L531-L596 HydrophobicContact CD1-CD1 3.52Å; Q592-L596 HydrophobicContact CG-CD1 4.39Å; Q592-L596 WeakPolarHBondContact O-CG 3.23Å; Q592-L596 PolarHBondContact O-N 3.38Å; Q592-L596 VanDerWaalsContact O-N 3.12Å; L593-L596 PolarHBondContact O-N 2.95Å; R594-L596 VanDerWaalsContact C-N 3.35Å; L596-S600 WeakPolarHBondContact O-CB 3.37Å; L596-S600 PolarHBondContact O-OG 2.92Å
597	L	80.3	Confident	84.7	Confident	10 Å²	10	53.8 Å²	53.8	5%	0.052	28%	0.279	C	S	.	.	I	π-helix	trans	-82.7	-35.9	-175.8	-69.5	-178	0	0	0	113.3	L528 L593 R594 V595 V603 M608	L528-L597 HydrophobicContact CD1-CD2 3.74Å; L528-L597 HydrophobicContact CD2-CD2 4.29Å; L593-L597 VanDerWaalsContact O-CB 3.32Å; L593-L597 WeakPolarHBondContact O-CB 3.47Å; L593-L597 WeakPolarHBondContact O-CG 3.29Å; L593-L597 PolarHBondContact O-N 3.48Å; R594-L597 PolarHBondContact O-N 3.42Å; V595-L597 PolarHBondContact O-N 3.18Å; L597-V603 HydrophobicContact CD2-CG1 4.47Å; L597-M608 HydrophobicContact CB-CE 3.76Å; L597-M608 HydrophobicContact CB-SD 4.13Å; L597-M608 HydrophobicContact CD1-CG 3.96Å; L597-M608 HydrophobicContact CD1-SD 4.18Å; L597-M608 HydrophobicContact CD2-CB 4.12Å; L597-M608 HydrophobicContact CD2-CE 4.12Å; L597-M608 HydrophobicContact CD2-CG 3.69Å; L597-M608 HydrophobicContact CD2-SD 4.33Å; L597-M608 HydrophobicContact CG-CE 4.4Å; L597-M608 HydrophobicContact CG-CG 4.26Å; L597-M608 HydrophobicContact CG-SD 4.43Å; L597-M608 WeakPolarHBondContact O-CE 3.4Å
598	I	75.6	Confident	84.3	Confident	33 Å²	33	50.2 Å²	50.2	17%	0.169	26%	0.262	C	S	.	.	I	π-helix	trans	-97.2	-61.4	-179.1	-53.4	178.5	0	0	0	110.3	R594 S600 H601 A641	R594-I598 HydrophobicContact CG-CD1 3.79Å; R594-I598 HydrophobicContact CG-CG1 4.39Å; R594-I598 WeakPolarHBondContact O-CB 3.34Å; R594-I598 WeakPolarHBondContact O-CG1 3.42Å; R594-I598 PolarHBondContact O-N 2.88Å; I598-S600 VanDerWaalsContact C-N 3.3Å; I598-S600 PolarHBondContact O-N 3.42Å; I598-H601 PolarHBondContact O-N 2.85Å; I598-A641 HydrophobicContact CD1-CB 3.6Å; I598-A641 HydrophobicContact CG1-CB 3.96Å
599	D	72.6	Confident	84.1	Confident	92 Å²	92	45.4 Å²	45.4	49%	0.492	24%	0.241	S	C	.	.	I	π-helix	trans	-74	-24	-162.1	-54.6	-25.1	0	0	0	112.4	V595	V595-D599 HydrophobicContact CG1-CB 4.25Å; V595-D599 WeakPolarHBondContact O-CB 3.38Å; V595-D599 PolarHBondContact O-N 3.18Å
600	S	70.2	Confident	83.6	Confident	50 Å²	50	48.5 Å²	48.5	35%	0.35	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-24.7	179.3	81.2	0	0	0	0	113.5	V595 L596 I598 A602	V595-S600 PolarHBondContact O-N 3.3Å; L596-S600 WeakPolarHBondContact O-CB 3.37Å; L596-S600 PolarHBondContact O-OG 2.92Å; I598-S600 VanDerWaalsContact C-N 3.3Å; I598-S600 PolarHBondContact O-N 3.42Å; S600-A602 PolarHBondContact O-N 2.69Å; S600-A602 PolarHBondContact OG-N 2.98Å
601	H	70.4	Confident	83.3	Confident	152 Å²	152	48.6 Å²	48.6	70%	0.704	25%	0.254	S	S	*	.			trans	45.9	14.2	-167.7	-62.5	-81.9	0	0	0	115	I598	I598-H601 PolarHBondContact O-N 2.85Å
602	A	73	Confident	83.2	Confident	56 Å²	56	43.9 Å²	43.9	46%	0.463	23%	0.232	S	C	.	.			trans	-89.5	-9.8	-172.4	0	0	0	0	0	112.7	Q524 S600	Q524-A602 HydrophobicContact CG-CB 4.36Å; S600-A602 PolarHBondContact O-N 2.69Å; S600-A602 PolarHBondContact OG-N 2.98Å
603	V	82.1	Confident	83	Confident	17 Å²	17	43.6 Å²	43.6	10%	0.103	23%	0.231	C	C	.	.	S	Bend	trans	-111.5	120.6	-173	-170.3	0	0	0	0	108.9	Q524 L528 L597 M608	Q524-V603 HydrophobicContact CB-CG2 3.9Å; Q524-V603 HydrophobicContact CG-CG2 4.25Å; L528-V603 HydrophobicContact CD1-CG1 4.09Å; L528-V603 HydrophobicContact CD1-CG2 4.33Å; L597-V603 HydrophobicContact CD2-CG1 4.47Å; V603-M608 HydrophobicContact CG1-CB 4.06Å
604	S	84.3	Confident	82.7	Confident	63 Å²	63	45.1 Å²	45.1	44%	0.441	24%	0.237	S	C	.	.			trans	-61.4	149.3	172.4	82.4	0	0	0	0	110.7	Y606 S607 M608	S604-Y606 PolarHBondContact O-N 2.93Å; S604-S607 PolarHBondContact O-N 3.34Å; S604-S607 WeakPolarHBondContact OG-CB 3.3Å; S604-S607 PolarHBondContact OG-N 2.98Å; S604-S607 VanDerWaalsContact OG-N 3.11Å; S604-S607 PolarHBondContact OG-OG 3.08Å; S604-M608 PolarHBondContact O-N 3.3Å
605	F	88.4	Confident	82.7	Confident	10 Å²	10	40.8 Å²	40.8	4%	0.044	22%	0.22	C	C	.	.	H	α-helix	trans	-56.3	-38.9	179.3	-175.8	-112.4	0	0	0	112.6	M608 A609 A645 A646 Q649 F716 S719 I720 L723	F605-M608 WeakPolarHBondContact O-CB 3.42Å; F605-M608 PolarHBondContact O-N 3.4Å; F605-A609 WeakPolarHBondContact O-CB 3.4Å; F605-A609 PolarHBondContact O-N 3.35Å; F605-A645 HydrophobicContact CD2-CB 4.02Å; F605-A645 HydrophobicContact CE2-CB 4.12Å; F605-A646 HydrophobicContact CE2-CB 4Å; F605-A646 HydrophobicContact CZ-CB 3.9Å; F605-Q649 HydrophobicContact CB-CB 4.16Å; F605-Q649 HydrophobicContact CB-CG 3.93Å; F605-Q649 HydrophobicContact CD1-CB 4.27Å; F605-Q649 HydrophobicContact CD1-CG 3.88Å; F605-Q649 HydrophobicContact CD2-CB 4.35Å; F605-Q649 HydrophobicContact CG-CB 4.02Å; F605-Q649 HydrophobicContact CG-CG 3.95Å; F605-F716 AromaticContact CD1-CD2 3.99Å; F605-F716 HydrophobicContact CD1-CD2 3.99Å; F605-F716 HydrophobicContact CD1-CE2 4.18Å; F605-F716 AromaticContact CE1-CD2 3.72Å; F605-F716 HydrophobicContact CE1-CD2 3.72Å; F605-F716 AromaticContact CE1-CE2 3.67Å; F605-F716 HydrophobicContact CE1-CE2 3.67Å; F605-F716 HydrophobicContact CZ-CE2 4.17Å; F605-S719 VanDerWaalsContact CD1-CB 3.44Å; F605-I720 HydrophobicContact CE1-CG1 3.95Å; F605-I720 HydrophobicContact CZ-CG1 3.89Å; F605-L723 HydrophobicContact CE2-CD1 4.07Å; F605-L723 HydrophobicContact CZ-CD1 3.82Å
606	Y	86.3	Confident	82.9	Confident	73 Å²	73	38.7 Å²	38.7	29%	0.286	21%	0.205	S	C	.	.	H	α-helix	trans	-64.1	-45.7	175.5	-178.7	-95.7	0	0	0	112.2	S604 M608 A609 Y610 Q715 Q718 S719 L722	S604-Y606 PolarHBondContact O-N 2.93Å; Y606-M608 VanDerWaalsContact C-N 3.3Å; Y606-M608 PolarHBondContact O-N 3.33Å; Y606-A609 PolarHBondContact O-N 3.2Å; Y606-Y610 PolarHBondContact O-N 3.42Å; Y606-Q715 HydrophobicContact CD2-CG 4.34Å; Y606-Q718 HydrophobicContact CE2-CG 4.4Å; Y606-S719 WeakPolarHBondContact CD2-OG 2.94Å; Y606-L722 HydrophobicContact CE2-CD1 4.05Å
607	S	85.1	Confident	83	Confident	27 Å²	27	37.2 Å²	37.2	19%	0.189	20%	0.198	C	C	.	.	H	α-helix	trans	-62.1	-39.4	176.4	-57.2	0	0	0	0	111.7	L525 S604 Y610 A611	L525-S607 WeakPolarHBondContact CD1-O 3.49Å; S604-S607 PolarHBondContact O-N 3.34Å; S604-S607 WeakPolarHBondContact OG-CB 3.3Å; S604-S607 PolarHBondContact OG-N 2.98Å; S604-S607 VanDerWaalsContact OG-N 3.11Å; S604-S607 PolarHBondContact OG-OG 3.08Å; S607-Y610 PolarHBondContact O-N 3.14Å; S607-A611 WeakPolarHBondContact O-CB 3.36Å; S607-A611 PolarHBondContact O-N 3.35Å
608	M	87.8	Confident	83.4	Confident	6 Å²	6	36.8 Å²	36.8	3%	0.03	20%	0.195	C	C	.	.	H	α-helix	trans	-60.4	-47.1	174	173.4	-178.1	-41.9	0	0	111.4	L597 V603 S604 F605 Y606 A611 A612 A645	L597-M608 HydrophobicContact CB-CE 3.76Å; L597-M608 HydrophobicContact CB-SD 4.13Å; L597-M608 HydrophobicContact CD1-CG 3.96Å; L597-M608 HydrophobicContact CD1-SD 4.18Å; L597-M608 HydrophobicContact CD2-CB 4.12Å; L597-M608 HydrophobicContact CD2-CE 4.12Å; L597-M608 HydrophobicContact CD2-CG 3.69Å; L597-M608 HydrophobicContact CD2-SD 4.33Å; L597-M608 HydrophobicContact CG-CE 4.4Å; L597-M608 HydrophobicContact CG-CG 4.26Å; L597-M608 HydrophobicContact CG-SD 4.43Å; L597-M608 WeakPolarHBondContact O-CE 3.4Å; V603-M608 HydrophobicContact CG1-CB 4.06Å; S604-M608 PolarHBondContact O-N 3.3Å; F605-M608 WeakPolarHBondContact O-CB 3.42Å; F605-M608 PolarHBondContact O-N 3.4Å; Y606-M608 VanDerWaalsContact C-N 3.3Å; Y606-M608 PolarHBondContact O-N 3.33Å; M608-A611 PolarHBondContact O-N 3.42Å; M608-A612 VanDerWaalsContact O-CB 3.3Å; M608-A612 WeakPolarHBondContact O-CB 3.42Å; M608-A612 PolarHBondContact O-N 2.8Å; M608-A645 HydrophobicContact CE-CB 3.8Å; M608-A645 HydrophobicContact SD-CB 3.73Å
609	A	88.9	Confident	84.2	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.8	-42.6	179.3	0	0	0	0	0	112.4	F605 Y606 A612 Q613 S719 L722 L723	F605-A609 WeakPolarHBondContact O-CB 3.4Å; F605-A609 PolarHBondContact O-N 3.35Å; Y606-A609 PolarHBondContact O-N 3.2Å; A609-A612 PolarHBondContact O-N 2.79Å; A609-Q613 PolarHBondContact O-N 3.11Å; A609-S719 WeakPolarHBondContact CB-O 3.41Å; A609-L722 HydrophobicContact CB-CB 4Å; A609-L722 HydrophobicContact CB-CD1 4.45Å; A609-L723 HydrophobicContact CB-CD2 4.14Å; A609-L723 HydrophobicContact CB-CG 3.92Å
610	Y	85	Confident	84.9	Confident	69 Å²	69	34.7 Å²	34.7	27%	0.271	19%	0.185	S	C	.	.	H	α-helix	trans	-64.6	-43.1	176.7	-163	-88.9	0	0	0	112.1	L525 Y606 S607 A612 Q613 L722	L525-Y610 HydrophobicContact CD1-CD1 4.06Å; L525-Y610 HydrophobicContact CD2-CD1 3.73Å; L525-Y610 HydrophobicContact CD2-CE1 4.4Å; L525-Y610 HydrophobicContact CD2-CG 4.3Å; L525-Y610 HydrophobicContact CG-CD1 4.37Å; Y606-Y610 PolarHBondContact O-N 3.42Å; S607-Y610 PolarHBondContact O-N 3.14Å; Y610-A612 PolarHBondContact O-N 3.47Å; Y610-Q613 PolarHBondContact O-N 3.38Å; Y610-L722 HydrophobicContact CD2-CD1 4.49Å
611	A	87	Confident	85.7	Confident	1 Å²	1	34 Å²	34	1%	0.008	18%	0.175	C	C	.	.	H	α-helix	trans	-61.1	-44.4	173.6	0	0	0	0	0	111.6	L525 L528 S607 M608 Q613 R614 I615	L525-A611 HydrophobicContact CD1-CB 3.62Å; L528-A611 HydrophobicContact CB-CB 3.92Å; L528-A611 HydrophobicContact CD1-CB 3.82Å; S607-A611 WeakPolarHBondContact O-CB 3.36Å; S607-A611 PolarHBondContact O-N 3.35Å; M608-A611 PolarHBondContact O-N 3.42Å; A611-Q613 VanDerWaalsContact C-N 3.34Å; A611-Q613 PolarHBondContact O-N 3Å; A611-R614 PolarHBondContact O-N 3.15Å; A611-I615 HydrophobicContact CB-CD1 4.44Å; A611-I615 WeakPolarHBondContact O-CD1 3.39Å; A611-I615 VanDerWaalsContact O-CG1 3.32Å; A611-I615 WeakPolarHBondContact O-CG1 3.31Å; A611-I615 PolarHBondContact O-N 3.46Å
612	A	89.4	Confident	86.5	Confident	2 Å²	2	26.7 Å²	26.7	2%	0.017	14%	0.142	C	C	.	.	H	α-helix	trans	-61.1	-39.9	-179.2	0	0	0	0	0	112.5	M608 A609 Y610 R614 I615 K616 W642 L723	M608-A612 VanDerWaalsContact O-CB 3.3Å; M608-A612 WeakPolarHBondContact O-CB 3.42Å; M608-A612 PolarHBondContact O-N 2.8Å; A609-A612 PolarHBondContact O-N 2.79Å; Y610-A612 PolarHBondContact O-N 3.47Å; A612-R614 VanDerWaalsContact C-N 3.28Å; A612-R614 PolarHBondContact O-N 2.83Å; A612-I615 PolarHBondContact O-N 3.5Å; A612-K616 WeakPolarHBondContact O-CB 3.33Å; A612-K616 VanDerWaalsContact O-CG 3.31Å; A612-K616 WeakPolarHBondContact O-CG 3.3Å; A612-K616 PolarHBondContact O-N 3.03Å; A612-W642 HydrophobicContact CB-CZ2 3.8Å; A612-L723 HydrophobicContact CB-CD2 3.63Å
613	Q	87	Confident	87.3	Confident	49 Å²	49	25.5 Å²	25.5	23%	0.229	13%	0.129	C	C	.	.	H	α-helix	trans	-56.5	-44	175.7	-173.7	-176.8	34.4	0	0	111.5	L327 A609 Y610 A611 K616 A617	L327-Q613 HydrophobicContact CD1-CG 4.07Å; A609-Q613 PolarHBondContact O-N 3.11Å; Y610-Q613 PolarHBondContact O-N 3.38Å; A611-Q613 VanDerWaalsContact C-N 3.34Å; A611-Q613 PolarHBondContact O-N 3Å; Q613-K616 PolarHBondContact O-N 2.91Å; Q613-A617 PolarHBondContact O-N 3.4Å
614	R	84.1	Confident	87.5	Confident	31 Å²	31	30.9 Å²	30.9	12%	0.117	15%	0.153	C	C	.	.	H	α-helix	trans	-73.6	-41.2	-179.6	-170.5	159.7	175.2	109.9	-19.3	112.8	L327 T330 A611 A612 K616 A617 H618	L327-R614 HydrophobicContact CD2-CG 4.24Å; T330-R614 VanDerWaalsContact CG2-NH1 3.3Å; T330-R614 PolarHBondContact OG1-NH1 3.43Å; T330-R614 PolarHBondContact OG1-NH2 2.94Å; A611-R614 PolarHBondContact O-N 3.15Å; A612-R614 VanDerWaalsContact C-N 3.28Å; A612-R614 PolarHBondContact O-N 2.83Å; R614-K616 VanDerWaalsContact C-N 3.26Å; R614-K616 PolarHBondContact O-N 3.42Å; R614-A617 WeakPolarHBondContact O-CB 3.36Å; R614-A617 PolarHBondContact O-N 2.85Å; R614-A617 VanDerWaalsContact O-N 3.1Å; R614-H618 PolarHBondContact O-N 2.83Å
615	I	90.1	Very high	87.4	Confident	4 Å²	4	29.8 Å²	29.8	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-55.3	-45.2	172.2	-71.6	161.9	0	0	0	110.4	S532 L593 A611 A612 H618 A619 L634	S532-I615 WeakPolarHBondContact OG-CA 3.3Å; S532-I615 WeakPolarHBondContact OG-CG1 3.37Å; L593-I615 HydrophobicContact CD1-CD1 3.97Å; L593-I615 HydrophobicContact CD1-CG2 4.35Å; L593-I615 HydrophobicContact CD2-CD1 4.33Å; A611-I615 HydrophobicContact CB-CD1 4.44Å; A611-I615 WeakPolarHBondContact O-CD1 3.39Å; A611-I615 VanDerWaalsContact O-CG1 3.32Å; A611-I615 WeakPolarHBondContact O-CG1 3.31Å; A611-I615 PolarHBondContact O-N 3.46Å; A612-I615 PolarHBondContact O-N 3.5Å; I615-H618 PolarHBondContact O-N 2.74Å; I615-A619 WeakPolarHBondContact O-CB 3.38Å; I615-A619 PolarHBondContact O-N 3.45Å; I615-L634 HydrophobicContact CG2-CD2 3.32Å; I615-L634 HydrophobicContact CG2-CG 4.3Å
616	K	90	Very high	87.2	Confident	34 Å²	34	30.2 Å²	30.2	15%	0.148	14%	0.144	C	C	.	.	H	α-helix	trans	-62.8	-41.3	174.9	-75.1	-176.5	172.5	-160	0	112.5	A612 Q613 R614 A619 N620 N635 W642 L723 N724	A612-K616 WeakPolarHBondContact O-CB 3.33Å; A612-K616 VanDerWaalsContact O-CG 3.31Å; A612-K616 WeakPolarHBondContact O-CG 3.3Å; A612-K616 PolarHBondContact O-N 3.03Å; Q613-K616 PolarHBondContact O-N 2.91Å; R614-K616 VanDerWaalsContact C-N 3.26Å; R614-K616 PolarHBondContact O-N 3.42Å; K616-A619 PolarHBondContact O-N 2.93Å; K616-N620 WeakPolarHBondContact O-CB 3.41Å; K616-N620 PolarHBondContact O-N 3.34Å; K616-N620 PolarHBondContact O-ND2 3.38Å; K616-N635 WeakPolarHBondContact CE-OD1 3.38Å; K616-N635 PolarHBondContact NZ-OD1 2.97Å; K616-W642 HydrophobicContact CD-CH2 4.44Å; K616-L723 WeakPolarHBondContact CE-O 3.35Å; K616-L723 PolarHBondContact NZ-O 3.46Å; K616-N724 PolarHBondContact NZ-O 3.43Å
617	A	86.1	Confident	87.1	Confident	3 Å²	3	31.5 Å²	31.5	3%	0.025	16%	0.164	C	C	.	.	H	α-helix	trans	-61.9	-43.4	177.2	0	0	0	0	0	112.1	L327 Q613 R614 N620 K621	L327-A617 HydrophobicContact CB-CB 3.64Å; L327-A617 HydrophobicContact CD1-CB 4.28Å; Q613-A617 PolarHBondContact O-N 3.4Å; R614-A617 WeakPolarHBondContact O-CB 3.36Å; R614-A617 PolarHBondContact O-N 2.85Å; R614-A617 VanDerWaalsContact O-N 3.1Å; A617-N620 PolarHBondContact O-N 3.15Å; A617-K621 PolarHBondContact O-N 3.31Å
618	H	87.7	Confident	87.2	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.5	-45.4	175.2	-67.5	-179.7	0	0	0	111.8	T330 S532 H536 R614 I615 N620 K621 L622	T330-H618 PolarHBondContact OG1-NE2 3.2Å; S532-H618 PolarHBondContact OG-ND1 3.18Å; H536-H618 HydrophobicContact CB-CB 4.19Å; H536-H618 WeakPolarHBondContact ND1-CB 3.41Å; H536-H618 AromaticContact ND1-ND1 3.97Å; R614-H618 PolarHBondContact O-N 2.83Å; I615-H618 PolarHBondContact O-N 2.74Å; H618-N620 PolarHBondContact O-N 2.85Å; H618-K621 PolarHBondContact O-N 2.83Å; H618-L622 WeakPolarHBondContact O-CB 3.4Å; H618-L622 PolarHBondContact O-N 3.05Å
619	A	92	Very high	87.4	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.008	18%	0.177	C	C	.	.	H	α-helix	trans	-61.4	-42.6	177.6	0	0	0	0	0	112.1	H536 I615 K616 L622 T623 I630 S631 L634	H536-A619 PolarHBondContact NE2-N 2.64Å; I615-A619 WeakPolarHBondContact O-CB 3.38Å; I615-A619 PolarHBondContact O-N 3.45Å; K616-A619 PolarHBondContact O-N 2.93Å; A619-L622 PolarHBondContact O-N 2.61Å; A619-T623 WeakPolarHBondContact O-CB 3.47Å; A619-T623 PolarHBondContact O-N 3.16Å; A619-T623 PolarHBondContact O-OG1 3.48Å; A619-I630 HydrophobicContact CB-CG2 4.12Å; A619-S631 PolarHBondContact O-OG 2.96Å; A619-L634 HydrophobicContact CB-CD2 4.08Å
620	N	88.9	Confident	87.6	Confident	80 Å²	80	34.2 Å²	34.2	43%	0.428	18%	0.177	S	C	.	.	H	α-helix	trans	-62.9	-44.3	177.3	-73.9	-19.1	0	0	0	111.4	K616 A617 H618 L622 T623 E624 S631	K616-N620 WeakPolarHBondContact O-CB 3.41Å; K616-N620 PolarHBondContact O-N 3.34Å; K616-N620 PolarHBondContact O-ND2 3.38Å; A617-N620 PolarHBondContact O-N 3.15Å; H618-N620 PolarHBondContact O-N 2.85Å; N620-L622 VanDerWaalsContact C-N 3.32Å; N620-L622 PolarHBondContact O-N 3.43Å; N620-T623 PolarHBondContact O-N 2.94Å; N620-E624 PolarHBondContact O-N 3.44Å; N620-S631 WeakPolarHBondContact CA-OG 3.35Å; N620-S631 PolarHBondContact N-OG 3.11Å; N620-S631 VanDerWaalsContact OD1-CB 3.28Å; N620-S631 WeakPolarHBondContact OD1-CB 3.27Å; N620-S631 PolarHBondContact OD1-OG 3.37Å
621	K	86.6	Confident	87.9	Confident	35 Å²	35	31.9 Å²	31.9	15%	0.152	17%	0.171	C	C	.	.	H	α-helix	trans	-62.4	-43.5	177.8	-174.6	50.6	177.9	176	0	111.6	S328 A617 H618 T623 E624 L625	S328-K621 VanDerWaalsContact OG-CB 3.23Å; S328-K621 WeakPolarHBondContact OG-CB 3.13Å; S328-K621 VanDerWaalsContact OG-CD 3.29Å; S328-K621 WeakPolarHBondContact OG-CD 3.23Å; S328-K621 WeakPolarHBondContact OG-CG 3.45Å; A617-K621 PolarHBondContact O-N 3.31Å; H618-K621 PolarHBondContact O-N 2.83Å; K621-T623 VanDerWaalsContact C-N 3.34Å; K621-E624 VanDerWaalsContact CD-OE2 3.3Å; K621-E624 WeakPolarHBondContact CD-OE2 3.35Å; K621-E624 IonicContact NZ-OE1 3.88Å; K621-E624 IonicContact NZ-OE2 2.88Å; K621-E624 PolarHBondContact NZ-OE2 3.22Å; K621-E624 WeakPolarHBondContact O-CB 3.2Å; K621-E624 PolarHBondContact O-N 2.99Å; K621-L625 HydrophobicContact CD-CD1 4.39Å; K621-L625 HydrophobicContact CD-CG 4.4Å; K621-L625 HydrophobicContact CG-CD1 4.22Å; K621-L625 VanDerWaalsContact O-CG 3.3Å; K621-L625 WeakPolarHBondContact O-CG 3.31Å; K621-L625 PolarHBondContact O-N 3.45Å; K621-L625 VanDerWaalsContact O-N 3.1Å
622	L	87.4	Confident	88.1	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-71.6	-33.1	-178.9	-166.3	61.5	0	0	0	112.2	H536 L539 A540 H618 A619 N620 E624 L625 L626 I630	H536-L622 HydrophobicContact CB-CD2 4.27Å; L539-L622 HydrophobicContact CB-CD2 3.56Å; L539-L622 HydrophobicContact CD1-CD2 3.6Å; L539-L622 HydrophobicContact CG-CD2 4.25Å; A540-L622 HydrophobicContact CB-CD1 3.91Å; H618-L622 WeakPolarHBondContact O-CB 3.4Å; H618-L622 PolarHBondContact O-N 3.05Å; A619-L622 PolarHBondContact O-N 2.61Å; N620-L622 VanDerWaalsContact C-N 3.32Å; N620-L622 PolarHBondContact O-N 3.43Å; L622-E624 VanDerWaalsContact C-N 3.35Å; L622-L625 PolarHBondContact O-N 3.46Å; L622-L626 HydrophobicContact CD1-CD1 3.68Å; L622-L626 HydrophobicContact CD1-CG 3.8Å; L622-L626 HydrophobicContact CD2-CD1 4.24Å; L622-L626 HydrophobicContact CG-CD1 3.76Å; L622-L626 HydrophobicContact CG-CG 4.13Å; L622-L626 WeakPolarHBondContact O-CB 3.42Å; L622-L626 PolarHBondContact O-N 3.14Å; L622-I630 HydrophobicContact CB-CD1 4.04Å; L622-I630 HydrophobicContact CD2-CD1 3.64Å; L622-I630 HydrophobicContact CG-CD1 3.6Å
623	T	89.7	Confident	88.2	Confident	31 Å²	31	35.3 Å²	35.3	19%	0.19	19%	0.194	C	C	.	.	H	α-helix	trans	-61.1	-43.1	171.4	-59.9	0	0	0	0	111.1	A619 N620 K621 L625 S627 V628 I630 S631	A619-T623 WeakPolarHBondContact O-CB 3.47Å; A619-T623 PolarHBondContact O-N 3.16Å; A619-T623 PolarHBondContact O-OG1 3.48Å; N620-T623 PolarHBondContact O-N 2.94Å; K621-T623 VanDerWaalsContact C-N 3.34Å; T623-L625 VanDerWaalsContact C-N 3.34Å; T623-L625 PolarHBondContact O-N 3.35Å; T623-S627 VanDerWaalsContact O-CA 3.22Å; T623-S627 WeakPolarHBondContact O-CA 3.47Å; T623-S627 PolarHBondContact O-N 3.24Å; T623-V628 WeakPolarHBondContact CA-O 3.46Å; T623-V628 WeakPolarHBondContact CB-O 3.37Å; T623-V628 WeakPolarHBondContact CG2-O 3.47Å; T623-V628 PolarHBondContact OG1-O 2.92Å; T623-I630 PolarHBondContact OG1-N 3.2Å; T623-S631 PolarHBondContact OG1-N 3.46Å; T623-S631 PolarHBondContact OG1-OG 3.05Å
624	E	85.6	Confident	88.5	Confident	129 Å²	129	33.2 Å²	33.2	60%	0.603	18%	0.184	S	C	*	.	H	α-helix	trans	-59.8	-43	173.9	-174.2	-163.4	171.7	0	0	111.8	N620 K621 L622	N620-E624 PolarHBondContact O-N 3.44Å; K621-E624 VanDerWaalsContact CD-OE2 3.3Å; K621-E624 WeakPolarHBondContact CD-OE2 3.35Å; K621-E624 IonicContact NZ-OE1 3.88Å; K621-E624 IonicContact NZ-OE2 2.88Å; K621-E624 PolarHBondContact NZ-OE2 3.22Å; K621-E624 WeakPolarHBondContact O-CB 3.2Å; K621-E624 PolarHBondContact O-N 2.99Å; L622-E624 VanDerWaalsContact C-N 3.35Å
625	L	82.6	Confident	88.8	Confident	41 Å²	41	33.9 Å²	33.9	22%	0.215	19%	0.19	C	C	.	.	H	α-helix	trans	-78.1	-42.1	-174.2	-68.5	176.4	0	0	0	114.1	C334 V335 L338 K621 L622 T623	C334-L625 HydrophobicContact CB-CD1 3.52Å; V335-L625 HydrophobicContact CG2-CD2 3.6Å; L338-L625 HydrophobicContact CD1-CB 3.75Å; L338-L625 HydrophobicContact CD1-CD1 4.28Å; L338-L625 HydrophobicContact CD1-CD2 4.5Å; L338-L625 HydrophobicContact CD1-CG 4.41Å; K621-L625 HydrophobicContact CD-CD1 4.39Å; K621-L625 HydrophobicContact CD-CG 4.4Å; K621-L625 HydrophobicContact CG-CD1 4.22Å; K621-L625 VanDerWaalsContact O-CG 3.3Å; K621-L625 WeakPolarHBondContact O-CG 3.31Å; K621-L625 PolarHBondContact O-N 3.45Å; K621-L625 VanDerWaalsContact O-N 3.1Å; L622-L625 PolarHBondContact O-N 3.46Å; T623-L625 VanDerWaalsContact C-N 3.34Å; T623-L625 PolarHBondContact O-N 3.35Å
626	L	83.6	Confident	88.8	Confident	18 Å²	18	41.3 Å²	41.3	9%	0.094	22%	0.218	C	C	.	.	H	α-helix	trans	-92.6	-13.5	-177.2	-60.5	-176.2	0	0	0	112.8	L338 A543 F578 L622 V628 I630	L338-L626 HydrophobicContact CD1-CD2 4.13Å; L338-L626 HydrophobicContact CD2-CD2 4.1Å; A543-L626 HydrophobicContact CB-CD1 4.46Å; A543-L626 HydrophobicContact CB-CD2 3.42Å; A543-L626 VanDerWaalsContact CB-CD2 3.42Å; F578-L626 HydrophobicContact CZ-CD1 4.48Å; L622-L626 HydrophobicContact CD1-CD1 3.68Å; L622-L626 HydrophobicContact CD1-CG 3.8Å; L622-L626 HydrophobicContact CD2-CD1 4.24Å; L622-L626 HydrophobicContact CG-CD1 3.76Å; L622-L626 HydrophobicContact CG-CG 4.13Å; L622-L626 WeakPolarHBondContact O-CB 3.42Å; L622-L626 PolarHBondContact O-N 3.14Å; L626-V628 HydrophobicContact CB-CB 4.42Å; L626-V628 HydrophobicContact CB-CG2 4.21Å; L626-V628 PolarHBondContact O-N 3.33Å; L626-I630 HydrophobicContact CD1-CD1 4.24Å
627	S	84.4	Confident	88.8	Confident	101 Å²	101	40.7 Å²	40.7	71%	0.706	22%	0.218	S	C	*	.			trans	57	26.2	-170.5	-56.1	0	0	0	0	113.6	T623	T623-S627 VanDerWaalsContact O-CA 3.22Å; T623-S627 WeakPolarHBondContact O-CA 3.47Å; T623-S627 PolarHBondContact O-N 3.24Å
628	V	88.3	Confident	89	Confident	7 Å²	7	40.6 Å²	40.6	4%	0.042	22%	0.217	C	C	.	.	S	Bend	trans	-110.4	130.4	174.5	-178.6	0	0	0	0	108.5	Y579 T582 L583 T623 L626 I630	Y579-V628 HydrophobicContact CD1-CG2 3.23Å; Y579-V628 HydrophobicContact CE1-CG2 3.56Å; Y579-V628 HydrophobicContact CG-CG2 3.96Å; T582-V628 HydrophobicContact CG2-CB 4.4Å; T582-V628 HydrophobicContact CG2-CG1 3.91Å; L583-V628 HydrophobicContact CD2-CG1 3.96Å; L583-V628 HydrophobicContact CG-CG1 4.21Å; T623-V628 WeakPolarHBondContact CA-O 3.46Å; T623-V628 WeakPolarHBondContact CB-O 3.37Å; T623-V628 WeakPolarHBondContact CG2-O 3.47Å; T623-V628 PolarHBondContact OG1-O 2.92Å; L626-V628 HydrophobicContact CB-CB 4.42Å; L626-V628 HydrophobicContact CB-CG2 4.21Å; L626-V628 PolarHBondContact O-N 3.33Å; V628-I630 HydrophobicContact CB-CG1 4.42Å; V628-I630 HydrophobicContact CG1-CG1 4.26Å; V628-I630 PolarHBondContact O-N 2.98Å
629	D	90.4	Very high	89	Confident	82 Å²	82	41.1 Å²	41.1	44%	0.439	22%	0.221	S	C	.	.			trans	-75.9	72.5	-175.5	-168.8	5.6	0	0	0	113.2	S632 T633	D629-S632 VanDerWaalsContact CG-CB 3.48Å; D629-S632 VanDerWaalsContact OD1-CB 3.25Å; D629-S632 WeakPolarHBondContact OD1-CB 3.43Å; D629-S632 PolarHBondContact OD1-N 3.1Å; D629-S632 PolarHBondContact OD1-OG 2.84Å; D629-S632 VanDerWaalsContact OD1-OG 3.14Å; D629-S632 WeakPolarHBondContact OD2-CB 3.47Å; D629-S632 PolarHBondContact OD2-OG 3.15Å; D629-T633 PolarHBondContact O-OG1 2.83Å
630	I	93.2	Very high	88.8	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-72.6	-38	177.2	-64.4	156.8	0	0	0	109.4	L539 T582 T586 A619 L622 T623 L626 V628 T633 L634	L539-I630 HydrophobicContact CD1-CD1 4.38Å; T582-I630 HydrophobicContact CG2-CD1 3.94Å; T582-I630 HydrophobicContact CG2-CG1 3.9Å; T586-I630 HydrophobicContact CG2-CG2 3.86Å; A619-I630 HydrophobicContact CB-CG2 4.12Å; L622-I630 HydrophobicContact CB-CD1 4.04Å; L622-I630 HydrophobicContact CD2-CD1 3.64Å; L622-I630 HydrophobicContact CG-CD1 3.6Å; T623-I630 PolarHBondContact OG1-N 3.2Å; L626-I630 HydrophobicContact CD1-CD1 4.24Å; V628-I630 HydrophobicContact CB-CG1 4.42Å; V628-I630 HydrophobicContact CG1-CG1 4.26Å; V628-I630 PolarHBondContact O-N 2.98Å; I630-T633 PolarHBondContact O-N 2.65Å; I630-L634 WeakPolarHBondContact O-CB 3.36Å; I630-L634 PolarHBondContact O-N 3.06Å
631	S	91.5	Very high	88.8	Confident	21 Å²	21	44.6 Å²	44.6	15%	0.147	23%	0.228	C	C	.	.	H	α-helix	trans	-59.9	-50.8	-179.1	-68	0	0	0	0	113.3	A619 N620 T623 T633 N635	A619-S631 PolarHBondContact O-OG 2.96Å; N620-S631 WeakPolarHBondContact CA-OG 3.35Å; N620-S631 PolarHBondContact N-OG 3.11Å; N620-S631 VanDerWaalsContact OD1-CB 3.28Å; N620-S631 WeakPolarHBondContact OD1-CB 3.27Å; N620-S631 PolarHBondContact OD1-OG 3.37Å; T623-S631 PolarHBondContact OG1-N 3.46Å; T623-S631 PolarHBondContact OG1-OG 3.05Å; S631-T633 VanDerWaalsContact C-N 3.34Å; S631-N635 VanDerWaalsContact O-CB 3.29Å; S631-N635 WeakPolarHBondContact O-CB 3.45Å; S631-N635 PolarHBondContact O-N 3.2Å
632	S	91.5	Very high	88.9	Confident	57 Å²	57	43.1 Å²	43.1	40%	0.399	22%	0.221	S	C	.	.	H	α-helix	trans	-68.3	-37.7	-179.7	81.1	0	0	0	0	111.6	D629 L634 N635 R636	D629-S632 VanDerWaalsContact CG-CB 3.48Å; D629-S632 VanDerWaalsContact OD1-CB 3.25Å; D629-S632 WeakPolarHBondContact OD1-CB 3.43Å; D629-S632 PolarHBondContact OD1-N 3.1Å; D629-S632 PolarHBondContact OD1-OG 2.84Å; D629-S632 VanDerWaalsContact OD1-OG 3.14Å; D629-S632 WeakPolarHBondContact OD2-CB 3.47Å; D629-S632 PolarHBondContact OD2-OG 3.15Å; S632-L634 PolarHBondContact O-N 3.34Å; S632-N635 PolarHBondContact O-N 3.17Å; S632-R636 VanDerWaalsContact O-CB 3.3Å; S632-R636 WeakPolarHBondContact O-CB 3.17Å; S632-R636 PolarHBondContact O-N 3.35Å
633	T	92.1	Very high	89	Confident	18 Å²	18	47.6 Å²	47.6	11%	0.11	24%	0.24	C	C	.	.	H	α-helix	trans	-61.3	-46.5	178.6	-59.3	0	0	0	0	111	L583 T586 D629 I630 S631 R636 S637	L583-T633 HydrophobicContact CD2-CG2 4.37Å; L583-T633 VanDerWaalsContact CD2-OG1 3.32Å; L583-T633 WeakPolarHBondContact CD2-OG1 3.26Å; T586-T633 HydrophobicContact CG2-CG2 3.89Å; D629-T633 PolarHBondContact O-OG1 2.83Å; I630-T633 PolarHBondContact O-N 2.65Å; S631-T633 VanDerWaalsContact C-N 3.34Å; T633-R636 PolarHBondContact O-N 3.16Å; T633-S637 PolarHBondContact O-N 3.37Å
634	L	92.3	Very high	88.9	Confident	4 Å²	4	51.7 Å²	51.7	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-67.5	-42.1	177.8	-170.4	57.6	0	0	0	111.8	T586 F589 L593 I615 A619 I630 S632 R636 S637 L638	T586-L634 HydrophobicContact CG2-CB 4.12Å; F589-L634 HydrophobicContact CD1-CD1 4.24Å; L593-L634 HydrophobicContact CD1-CD1 4.36Å; I615-L634 HydrophobicContact CG2-CD2 3.32Å; I615-L634 HydrophobicContact CG2-CG 4.3Å; A619-L634 HydrophobicContact CB-CD2 4.08Å; I630-L634 WeakPolarHBondContact O-CB 3.36Å; I630-L634 PolarHBondContact O-N 3.06Å; S632-L634 PolarHBondContact O-N 3.34Å; L634-R636 VanDerWaalsContact C-N 3.33Å; L634-R636 PolarHBondContact O-N 3.09Å; L634-S637 PolarHBondContact O-N 3.05Å; L634-L638 HydrophobicContact CD1-CD1 3.85Å; L634-L638 HydrophobicContact CD1-CG 4.31Å; L634-L638 HydrophobicContact CG-CD1 3.95Å; L634-L638 WeakPolarHBondContact O-CB 3.18Å; L634-L638 WeakPolarHBondContact O-CG 3.28Å; L634-L638 PolarHBondContact O-N 3.2Å
635	N	91	Very high	89	Confident	46 Å²	46	46.3 Å²	46.3	25%	0.246	23%	0.23	C	C	.	.	H	α-helix	trans	-60.9	-42.2	175.7	-167.7	77.4	0	0	0	111.5	K616 S631 S632 S637 L638 S639 W642	K616-N635 WeakPolarHBondContact CE-OD1 3.38Å; K616-N635 PolarHBondContact NZ-OD1 2.97Å; S631-N635 VanDerWaalsContact O-CB 3.29Å; S631-N635 WeakPolarHBondContact O-CB 3.45Å; S631-N635 PolarHBondContact O-N 3.2Å; S632-N635 PolarHBondContact O-N 3.17Å; N635-S637 VanDerWaalsContact C-N 3.34Å; N635-S637 PolarHBondContact O-N 3.46Å; N635-L638 PolarHBondContact O-N 2.89Å; N635-S639 WeakPolarHBondContact O-CB 3.21Å; N635-S639 PolarHBondContact O-N 3.47Å; N635-W642 WeakPolarHBondContact OD1-CZ3 3.41Å
636	R	89.7	Confident	89.4	Confident	160 Å²	160	44.3 Å²	44.3	60%	0.604	22%	0.22	S	C	*	.	H	α-helix	trans	-63.5	-37	175.8	-172.8	-177.8	77.1	162.8	3.1	112.6	S632 T633 L634	S632-R636 VanDerWaalsContact O-CB 3.3Å; S632-R636 WeakPolarHBondContact O-CB 3.17Å; S632-R636 PolarHBondContact O-N 3.35Å; T633-R636 PolarHBondContact O-N 3.16Å; L634-R636 VanDerWaalsContact C-N 3.33Å; L634-R636 PolarHBondContact O-N 3.09Å
637	S	89.5	Confident	89.6	Confident	21 Å²	21	47.1 Å²	47.1	15%	0.147	24%	0.235	C	C	.	.	H	α-helix	trans	-70.5	-34.2	177.7	-172.8	0	0	0	0	112.3	G590 T633 L634 N635	G590-S637 VanDerWaalsContact C-OG 3.29Å; G590-S637 WeakPolarHBondContact CA-OG 3.48Å; T633-S637 PolarHBondContact O-N 3.37Å; L634-S637 PolarHBondContact O-N 3.05Å; N635-S637 VanDerWaalsContact C-N 3.34Å; N635-S637 PolarHBondContact O-N 3.46Å
638	L	91	Very high	89.8	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-99.6	-17.3	-172.3	-63.3	175.8	0	0	0	114.5	G590 L593 R594 L634 N635 R640 A641 W642	G590-L638 WeakPolarHBondContact O-CD2 3.26Å; L593-L638 HydrophobicContact CB-CD2 3.88Å; L593-L638 HydrophobicContact CD1-CD1 4.15Å; R594-L638 HydrophobicContact CB-CD2 4.49Å; L634-L638 HydrophobicContact CD1-CD1 3.85Å; L634-L638 HydrophobicContact CD1-CG 4.31Å; L634-L638 HydrophobicContact CG-CD1 3.95Å; L634-L638 WeakPolarHBondContact O-CB 3.18Å; L634-L638 WeakPolarHBondContact O-CG 3.28Å; L634-L638 PolarHBondContact O-N 3.2Å; N635-L638 PolarHBondContact O-N 2.89Å; L638-R640 PolarHBondContact O-N 2.94Å; L638-A641 CarbonylContact O-C 3.58Å; L638-A641 WeakPolarHBondContact O-CA 3.49Å; L638-A641 VanDerWaalsContact O-CB 3.25Å; L638-A641 WeakPolarHBondContact O-CB 3.41Å; L638-A641 PolarHBondContact O-N 3.35Å; L638-W642 HydrophobicContact CB-CD2 4.1Å; L638-W642 HydrophobicContact CB-CE3 4.36Å; L638-W642 HydrophobicContact CB-CH2 3.79Å; L638-W642 HydrophobicContact CB-CZ2 3.55Å; L638-W642 HydrophobicContact CB-CZ3 4.2Å; L638-W642 HydrophobicContact CD1-CH2 4.18Å; L638-W642 HydrophobicContact CD1-CZ2 3.62Å; L638-W642 HydrophobicContact CG-CZ2 4.23Å; L638-W642 PolarHBondContact O-N 3.17Å
639	S	88.7	Confident	89.9	Confident	11 Å²	11	47.6 Å²	47.6	8%	0.077	23%	0.225	C	C	.	.	H	α-helix	trans	-57.6	-46.9	-175.8	68.9	0	0	0	0	112.8	N635 A641 W642 K643 E727	N635-S639 WeakPolarHBondContact O-CB 3.21Å; N635-S639 PolarHBondContact O-N 3.47Å; S639-A641 PolarHBondContact O-N 3.33Å; S639-W642 PolarHBondContact O-N 3.36Å; S639-K643 WeakPolarHBondContact O-CB 3.48Å; S639-K643 PolarHBondContact O-N 2.66Å; S639-E727 WeakPolarHBondContact CB-OE2 3.36Å; S639-E727 PolarHBondContact OG-OE2 2.98Å
640	R	87.4	Confident	89.9	Confident	154 Å²	154	44 Å²	44	58%	0.581	21%	0.206	S	C	*	.	H	α-helix	trans	-63	-24.9	173.8	-78.8	-176.4	-80.8	155	-4.6	113.3	L638 R644	L638-R640 PolarHBondContact O-N 2.94Å; R640-R644 WeakPolarHBondContact O-CG 3.19Å; R640-R644 PolarHBondContact O-NH1 2.87Å
641	A	88	Confident	89.8	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-78.2	-47.6	176.3	0	0	0	0	0	111	R594 I598 L638 S639 K643 R644 A645	R594-A641 HydrophobicContact CB-CB 4.41Å; R594-A641 HydrophobicContact CG-CB 4.01Å; I598-A641 HydrophobicContact CD1-CB 3.6Å; I598-A641 HydrophobicContact CG1-CB 3.96Å; L638-A641 CarbonylContact O-C 3.58Å; L638-A641 WeakPolarHBondContact O-CA 3.49Å; L638-A641 VanDerWaalsContact O-CB 3.25Å; L638-A641 WeakPolarHBondContact O-CB 3.41Å; L638-A641 PolarHBondContact O-N 3.35Å; S639-A641 PolarHBondContact O-N 3.33Å; A641-K643 VanDerWaalsContact C-N 3.33Å; A641-K643 PolarHBondContact O-N 3.41Å; A641-R644 PolarHBondContact O-N 3.48Å; A641-A645 WeakPolarHBondContact O-CB 3.42Å; A641-A645 PolarHBondContact O-N 3.44Å
642	W	89.7	Confident	89.8	Confident	3 Å²	3	52.4 Å²	52.4	1%	0.011	24%	0.24	C	C	.	.	H	α-helix	trans	-62.6	-39.2	176.7	-62.7	-31.7	0	0	0	112.6	A612 K616 N635 L638 S639 A645 A646 L723 C725 L728	A612-W642 HydrophobicContact CB-CZ2 3.8Å; K616-W642 HydrophobicContact CD-CH2 4.44Å; N635-W642 WeakPolarHBondContact OD1-CZ3 3.41Å; L638-W642 HydrophobicContact CB-CD2 4.1Å; L638-W642 HydrophobicContact CB-CE3 4.36Å; L638-W642 HydrophobicContact CB-CH2 3.79Å; L638-W642 HydrophobicContact CB-CZ2 3.55Å; L638-W642 HydrophobicContact CB-CZ3 4.2Å; L638-W642 HydrophobicContact CD1-CH2 4.18Å; L638-W642 HydrophobicContact CD1-CZ2 3.62Å; L638-W642 HydrophobicContact CG-CZ2 4.23Å; L638-W642 PolarHBondContact O-N 3.17Å; S639-W642 PolarHBondContact O-N 3.36Å; W642-A645 PolarHBondContact O-N 3.1Å; W642-A646 WeakPolarHBondContact O-CB 3.43Å; W642-A646 PolarHBondContact O-N 2.91Å; W642-L723 HydrophobicContact CB-CD1 4.22Å; W642-L723 HydrophobicContact CD2-CD2 3.9Å; W642-L723 HydrophobicContact CG-CD1 4.37Å; W642-L723 HydrophobicContact CG-CD2 3.88Å; W642-C725 HydrophobicContact CE3-CB 4.47Å; W642-L728 HydrophobicContact CB-CD1 4.27Å
643	K	88.2	Confident	89.8	Confident	94 Å²	94	50.2 Å²	50.2	41%	0.409	22%	0.224	S	C	.	.	H	α-helix	trans	-59.1	-49.5	175.1	-175.7	173.3	179.8	174	0	111.8	S639 A641 A645 A646 D647 L728	S639-K643 WeakPolarHBondContact O-CB 3.48Å; S639-K643 PolarHBondContact O-N 2.66Å; A641-K643 VanDerWaalsContact C-N 3.33Å; A641-K643 PolarHBondContact O-N 3.41Å; K643-A645 VanDerWaalsContact C-N 3.33Å; K643-A645 PolarHBondContact O-N 3.36Å; K643-A646 PolarHBondContact O-N 3.38Å; K643-D647 PolarHBondContact O-N 3.39Å; K643-L728 HydrophobicContact CB-CD2 3.83Å; K643-L728 HydrophobicContact CG-CD2 4.24Å
644	R	88.1	Confident	89.7	Confident	117 Å²	117	50.1 Å²	50.1	44%	0.442	22%	0.224	S	C	.	.	H	α-helix	trans	-62.2	-40.2	177	-71.4	-174.2	-170	100	-7.6	112.6	R640 A641 A646 D647 E648	R640-R644 WeakPolarHBondContact O-CG 3.19Å; R640-R644 PolarHBondContact O-NH1 2.87Å; A641-R644 PolarHBondContact O-N 3.48Å; R644-A646 VanDerWaalsContact C-N 3.31Å; R644-D647 PolarHBondContact O-N 2.89Å; R644-E648 WeakPolarHBondContact O-CB 3.26Å; R644-E648 PolarHBondContact O-N 3.33Å
645	A	88.7	Confident	89.7	Confident	16 Å²	16	53.3 Å²	53.3	13%	0.132	24%	0.238	C	C	.	.	H	α-helix	trans	-65.2	-36.4	176.5	0	0	0	0	0	111.9	F605 M608 A641 W642 K643 Q649	F605-A645 HydrophobicContact CD2-CB 4.02Å; F605-A645 HydrophobicContact CE2-CB 4.12Å; M608-A645 HydrophobicContact CE-CB 3.8Å; M608-A645 HydrophobicContact SD-CB 3.73Å; A641-A645 WeakPolarHBondContact O-CB 3.42Å; A641-A645 PolarHBondContact O-N 3.44Å; W642-A645 PolarHBondContact O-N 3.1Å; K643-A645 VanDerWaalsContact C-N 3.33Å; K643-A645 PolarHBondContact O-N 3.36Å; A645-Q649 VanDerWaalsContact O-CB 3.3Å; A645-Q649 WeakPolarHBondContact O-CB 3.43Å; A645-Q649 PolarHBondContact O-N 2.58Å
646	A	89.6	Confident	89.7	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-69.4	-42.9	174.9	0	0	0	0	0	112	F605 W642 K643 R644 E648 Q649 S650 F716 T731	F605-A646 HydrophobicContact CE2-CB 4Å; F605-A646 HydrophobicContact CZ-CB 3.9Å; W642-A646 WeakPolarHBondContact O-CB 3.43Å; W642-A646 PolarHBondContact O-N 2.91Å; K643-A646 PolarHBondContact O-N 3.38Å; R644-A646 VanDerWaalsContact C-N 3.31Å; A646-E648 VanDerWaalsContact C-N 3.32Å; A646-E648 PolarHBondContact O-N 3.28Å; A646-Q649 PolarHBondContact O-N 2.97Å; A646-S650 WeakPolarHBondContact O-CB 3.48Å; A646-S650 PolarHBondContact O-N 3.17Å; A646-F716 HydrophobicContact CB-CZ 4.5Å; A646-T731 HydrophobicContact CB-CG2 4.09Å
647	D	89.2	Confident	89.8	Confident	77 Å²	77	45.1 Å²	45.1	41%	0.412	21%	0.211	S	C	.	.	H	α-helix	trans	-60	-43.3	174.6	-69.2	-32.4	0	0	0	111	K643 R644 S650 R651 T731	K643-D647 PolarHBondContact O-N 3.39Å; R644-D647 PolarHBondContact O-N 2.89Å; D647-S650 WeakPolarHBondContact O-CB 3.49Å; D647-S650 PolarHBondContact O-N 3.09Å; D647-R651 PolarHBondContact O-N 2.93Å; D647-T731 WeakPolarHBondContact OD1-CG2 3.26Å
648	E	88.5	Confident	89.8	Confident	66 Å²	66	48 Å²	48	31%	0.308	22%	0.222	S	C	.	.	H	α-helix	trans	-67.2	-43.8	177	179.2	60.2	-174.6	0	0	112	R644 A646 S650 R651 L652	R644-E648 WeakPolarHBondContact O-CB 3.26Å; R644-E648 PolarHBondContact O-N 3.33Å; A646-E648 VanDerWaalsContact C-N 3.32Å; A646-E648 PolarHBondContact O-N 3.28Å; E648-S650 VanDerWaalsContact C-N 3.27Å; E648-S650 PolarHBondContact O-N 2.88Å; E648-R651 VanDerWaalsContact CD-NH2 3.3Å; E648-R651 WeakPolarHBondContact O-CB 2.75Å; E648-R651 PolarHBondContact O-N 3.34Å; E648-R651 IonicContact OE1-CZ 2.82Å; E648-R651 IonicContact OE1-NE 3.05Å; E648-R651 IonicContact OE1-NH2 3.64Å; E648-R651 PolarHBondContact OE1-NH2 2.92Å; E648-R651 IonicContact OE2-CZ 3.53Å; E648-R651 IonicContact OE2-NE 3.85Å; E648-R651 PolarHBondContact OE2-NE 3.37Å; E648-R651 IonicContact OE2-NH2 3.27Å; E648-R651 PolarHBondContact OE2-NH2 2.93Å; E648-R651 VanDerWaalsContact OE2-NH2 3.1Å; E648-L652 HydrophobicContact CG-CD1 4.43Å; E648-L652 WeakPolarHBondContact O-CG 3.39Å; E648-L652 PolarHBondContact O-N 3.36Å
649	Q	90.1	Very high	89.7	Confident	52 Å²	52	51.9 Å²	51.9	24%	0.243	24%	0.243	C	C	.	.	H	α-helix	trans	-63	-36	175.4	-176.4	62.9	53.6	0	0	111.6	F605 A645 A646 L652 L653 F716	F605-Q649 HydrophobicContact CB-CB 4.16Å; F605-Q649 HydrophobicContact CB-CG 3.93Å; F605-Q649 HydrophobicContact CD1-CB 4.27Å; F605-Q649 HydrophobicContact CD1-CG 3.88Å; F605-Q649 HydrophobicContact CD2-CB 4.35Å; F605-Q649 HydrophobicContact CG-CB 4.02Å; F605-Q649 HydrophobicContact CG-CG 3.95Å; A645-Q649 VanDerWaalsContact O-CB 3.3Å; A645-Q649 WeakPolarHBondContact O-CB 3.43Å; A645-Q649 PolarHBondContact O-N 2.58Å; A646-Q649 PolarHBondContact O-N 2.97Å; Q649-L652 PolarHBondContact O-N 3.33Å; Q649-L653 VanDerWaalsContact O-CG 3.26Å; Q649-L653 WeakPolarHBondContact O-CG 3.46Å; Q649-L653 PolarHBondContact O-N 2.84Å; Q649-F716 HydrophobicContact CB-CD2 4.27Å; Q649-F716 HydrophobicContact CB-CE2 3.88Å; Q649-F716 HydrophobicContact CG-CD2 3.56Å; Q649-F716 HydrophobicContact CG-CE2 3.71Å
650	S	90.4	Very high	89.7	Confident	5 Å²	5	53.5 Å²	53.5	4%	0.035	25%	0.247	C	C	.	.	H	α-helix	trans	-59.5	-47.3	172.7	-177.6	0	0	0	0	111.2	A646 D647 E648 L652 L653 C654 C735	A646-S650 WeakPolarHBondContact O-CB 3.48Å; A646-S650 PolarHBondContact O-N 3.17Å; D647-S650 WeakPolarHBondContact O-CB 3.49Å; D647-S650 PolarHBondContact O-N 3.09Å; E648-S650 VanDerWaalsContact C-N 3.27Å; E648-S650 PolarHBondContact O-N 2.88Å; S650-L652 PolarHBondContact O-N 2.87Å; S650-L653 WeakPolarHBondContact O-CB 3.37Å; S650-L653 PolarHBondContact O-N 3.44Å; S650-C654 PolarHBondContact O-N 3.35Å; S650-C735 WeakPolarHBondContact CB-SG 3.29Å; S650-C735 WeakPolarHBondContact OG-CA 3.5Å; S650-C735 WeakPolarHBondContact OG-CB 3.46Å; S650-C735 PolarHBondContact OG-SG 2.86Å
651	R	90.6	Very high	89.7	Confident	125 Å²	125	47.7 Å²	47.7	47%	0.472	23%	0.233	S	C	.	.	H	α-helix	trans	-59.4	-45.8	176.2	-172.4	177.5	71.1	100.3	-6.9	111.9	D647 E648 L653 C654 E655	D647-R651 PolarHBondContact O-N 2.93Å; E648-R651 VanDerWaalsContact CD-NH2 3.3Å; E648-R651 WeakPolarHBondContact O-CB 2.75Å; E648-R651 PolarHBondContact O-N 3.34Å; E648-R651 IonicContact OE1-CZ 2.82Å; E648-R651 IonicContact OE1-NE 3.05Å; E648-R651 IonicContact OE1-NH2 3.64Å; E648-R651 PolarHBondContact OE1-NH2 2.92Å; E648-R651 IonicContact OE2-CZ 3.53Å; E648-R651 IonicContact OE2-NE 3.85Å; E648-R651 PolarHBondContact OE2-NE 3.37Å; E648-R651 IonicContact OE2-NH2 3.27Å; E648-R651 PolarHBondContact OE2-NH2 2.93Å; E648-R651 VanDerWaalsContact OE2-NH2 3.1Å; R651-L653 VanDerWaalsContact C-N 3.27Å; R651-L653 PolarHBondContact O-N 2.97Å; R651-C654 PolarHBondContact O-N 2.75Å; R651-E655 IonicContact CZ-OE1 3.63Å; R651-E655 IonicContact NE-OE1 2.66Å; R651-E655 IonicContact NH1-OE1 2.71Å; R651-E655 PolarHBondContact NH1-OE1 3.31Å; R651-E655 WeakPolarHBondContact O-CG 2.85Å; R651-E655 PolarHBondContact O-N 2.82Å
652	L	90.9	Very high	89.6	Confident	73 Å²	73	55.1 Å²	55.1	38%	0.382	27%	0.265	S	S	.	.	H	α-helix	trans	-63	-31.8	177.5	-67.8	174.3	0	0	0	112.9	E648 Q649 S650 A656	E648-L652 HydrophobicContact CG-CD1 4.43Å; E648-L652 WeakPolarHBondContact O-CG 3.39Å; E648-L652 PolarHBondContact O-N 3.36Å; Q649-L652 PolarHBondContact O-N 3.33Å; S650-L652 PolarHBondContact O-N 2.87Å; L652-A656 VanDerWaalsContact O-CB 3.27Å; L652-A656 WeakPolarHBondContact O-CB 2.97Å; L652-A656 PolarHBondContact O-N 3.33Å
653	L	91.3	Very high	89.3	Confident	11 Å²	11	62.9 Å²	62.9	6%	0.058	30%	0.301	C	S	.	.	H	α-helix	trans	-67.5	-44.2	174.6	-72.8	170.2	0	0	0	111.8	Q649 S650 R651 A656 V657 F716 T739	Q649-L653 VanDerWaalsContact O-CG 3.26Å; Q649-L653 WeakPolarHBondContact O-CG 3.46Å; Q649-L653 PolarHBondContact O-N 2.84Å; S650-L653 WeakPolarHBondContact O-CB 3.37Å; S650-L653 PolarHBondContact O-N 3.44Å; R651-L653 VanDerWaalsContact C-N 3.27Å; R651-L653 PolarHBondContact O-N 2.97Å; L653-A656 WeakPolarHBondContact O-CB 3.5Å; L653-A656 PolarHBondContact O-N 2.96Å; L653-V657 WeakPolarHBondContact O-CG2 3.47Å; L653-V657 PolarHBondContact O-N 3.1Å; L653-F716 HydrophobicContact CD1-CB 3.8Å; L653-F716 HydrophobicContact CD1-CD1 4.13Å; L653-F716 HydrophobicContact CD1-CD2 3.95Å; L653-F716 HydrophobicContact CD1-CG 3.69Å; L653-T739 HydrophobicContact CB-CG2 4.49Å
654	C	91.9	Very high	89.2	Confident	17 Å²	17	60.5 Å²	60.5	12%	0.115	29%	0.292	C	S	.	.	H	α-helix	trans	-62.6	-45.4	175.1	-62.1	0	0	0	0	111.3	S650 R651 A656 V657 E658	S650-C654 PolarHBondContact O-N 3.35Å; R651-C654 PolarHBondContact O-N 2.75Å; C654-A656 VanDerWaalsContact C-N 3.26Å; C654-A656 PolarHBondContact O-N 3.23Å; C654-V657 WeakPolarHBondContact O-CB 3.36Å; C654-V657 PolarHBondContact O-N 3.29Å; C654-V657 VanDerWaalsContact O-N 3.13Å; C654-E658 PolarHBondContact O-N 3.48Å
655	E	91	Very high	88.9	Confident	70 Å²	70	57.6 Å²	57.6	33%	0.327	29%	0.289	S	S	.	.	H	α-helix	trans	-60.8	-36.3	174.9	-70.1	176.6	-164.8	0	0	111.8	R651 E658 N659	R651-E655 IonicContact CZ-OE1 3.63Å; R651-E655 IonicContact NE-OE1 2.66Å; R651-E655 IonicContact NH1-OE1 2.71Å; R651-E655 PolarHBondContact NH1-OE1 3.31Å; R651-E655 WeakPolarHBondContact O-CG 2.85Å; R651-E655 PolarHBondContact O-N 2.82Å; E655-E658 PolarHBondContact O-N 3.17Å; E655-N659 WeakPolarHBondContact O-CB 3.35Å; E655-N659 PolarHBondContact O-N 2.76Å; E655-N659 PolarHBondContact O-ND2 3.46Å; E655-N659 VanDerWaalsContact O-ND2 3.16Å
656	A	91.3	Very high	88.9	Confident	32 Å²	32	57.9 Å²	57.9	26%	0.264	29%	0.287	S	S	.	.	H	α-helix	trans	-67.2	-37.9	175.2	0	0	0	0	0	112.5	L652 L653 C654 N659 R660	L652-A656 VanDerWaalsContact O-CB 3.27Å; L652-A656 WeakPolarHBondContact O-CB 2.97Å; L652-A656 PolarHBondContact O-N 3.33Å; L653-A656 WeakPolarHBondContact O-CB 3.5Å; L653-A656 PolarHBondContact O-N 2.96Å; C654-A656 VanDerWaalsContact C-N 3.26Å; C654-A656 PolarHBondContact O-N 3.23Å; A656-N659 PolarHBondContact O-N 3.04Å; A656-R660 WeakPolarHBondContact O-CG 2.95Å; A656-R660 PolarHBondContact O-N 3.06Å; A656-R660 VanDerWaalsContact O-N 3.08Å
657	V	90.9	Very high	88.7	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.012	31%	0.31	C	S	.	.	H	α-helix	trans	-62.4	-50	172.1	167.6	0	0	0	0	110.2	L653 C654 N659 R660 A661 L709 T739 E743	L653-V657 WeakPolarHBondContact O-CG2 3.47Å; L653-V657 PolarHBondContact O-N 3.1Å; C654-V657 WeakPolarHBondContact O-CB 3.36Å; C654-V657 PolarHBondContact O-N 3.29Å; C654-V657 VanDerWaalsContact O-N 3.13Å; V657-N659 VanDerWaalsContact C-N 3.28Å; V657-N659 PolarHBondContact O-N 3.02Å; V657-R660 PolarHBondContact O-N 3.19Å; V657-R660 VanDerWaalsContact O-N 3.14Å; V657-A661 PolarHBondContact O-N 3.49Å; V657-L709 HydrophobicContact CG2-CD1 3.96Å; V657-T739 HydrophobicContact CG2-CG2 3.92Å; V657-E743 HydrophobicContact CG1-CB 4.34Å; V657-E743 VanDerWaalsContact CG1-OE2 3.23Å; V657-E743 WeakPolarHBondContact CG1-OE2 3.23Å
658	E	90.2	Very high	88.6	Confident	81 Å²	81	60.4 Å²	60.4	38%	0.379	30%	0.298	S	S	.	.	H	α-helix	trans	-60.2	-36.6	178.4	-70.8	-177.5	176.3	0	0	113.1	C654 E655 A661 K662	C654-E658 PolarHBondContact O-N 3.48Å; E655-E658 PolarHBondContact O-N 3.17Å; E658-A661 PolarHBondContact O-N 2.81Å; E658-K662 WeakPolarHBondContact O-CG 3.48Å; E658-K662 PolarHBondContact O-N 3.28Å
659	N	88.7	Confident	88.3	Confident	83 Å²	83	57.4 Å²	57.4	44%	0.444	28%	0.284	S	S	.	.	H	α-helix	trans	-71	-36.2	177.5	-73.9	-27.5	0	0	0	112.6	E655 A656 V657 K662	E655-N659 WeakPolarHBondContact O-CB 3.35Å; E655-N659 PolarHBondContact O-N 2.76Å; E655-N659 PolarHBondContact O-ND2 3.46Å; E655-N659 VanDerWaalsContact O-ND2 3.16Å; A656-N659 PolarHBondContact O-N 3.04Å; V657-N659 VanDerWaalsContact C-N 3.28Å; V657-N659 PolarHBondContact O-N 3.02Å; N659-K662 PolarHBondContact OD1-NZ 3.11Å; N659-K662 VanDerWaalsContact OD1-NZ 3.14Å
660	R	88.8	Confident	88	Confident	45 Å²	45	57.6 Å²	57.6	17%	0.17	29%	0.291	C	S	.	.	H	α-helix	trans	-65.8	-41.3	171.6	-71.6	-179.6	-133.6	128.6	2.4	111.2	A656 V657 K662 Q663 E664 S712	A656-R660 WeakPolarHBondContact O-CG 2.95Å; A656-R660 PolarHBondContact O-N 3.06Å; A656-R660 VanDerWaalsContact O-N 3.08Å; V657-R660 PolarHBondContact O-N 3.19Å; V657-R660 VanDerWaalsContact O-N 3.14Å; R660-K662 VanDerWaalsContact C-N 3.27Å; R660-K662 PolarHBondContact O-N 3.26Å; R660-Q663 CarbonylContact O-C 3.56Å; R660-Q663 PolarHBondContact O-N 3.28Å; R660-E664 PolarHBondContact O-N 3.12Å; R660-S712 PolarHBondContact NH2-OG 3.43Å; R660-S712 VanDerWaalsContact NH2-OG 3.15Å
661	A	87.3	Confident	87.5	Confident	33 Å²	33	62.4 Å²	62.4	27%	0.273	32%	0.316	S	S	.	.	H	α-helix	trans	-59.2	-36.2	179.3	0	0	0	0	0	113.4	V657 E658 Q663 E664 C746	V657-A661 PolarHBondContact O-N 3.49Å; E658-A661 PolarHBondContact O-N 2.81Å; A661-Q663 PolarHBondContact O-N 3.5Å; A661-E664 PolarHBondContact O-N 3.37Å; A661-C746 HydrophobicContact CB-CB 3.91Å; A661-C746 WeakPolarHBondContact CB-SG 3.4Å
662	K	85.9	Confident	87.2	Confident	155 Å²	155	58.5 Å²	58.5	67%	0.674	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-22.7	175.3	-68.2	166.7	-166.2	161.5	0	113.5	E658 N659 R660	E658-K662 WeakPolarHBondContact O-CG 3.48Å; E658-K662 PolarHBondContact O-N 3.28Å; N659-K662 PolarHBondContact OD1-NZ 3.11Å; N659-K662 VanDerWaalsContact OD1-NZ 3.14Å; R660-K662 VanDerWaalsContact C-N 3.27Å; R660-K662 PolarHBondContact O-N 3.26Å
663	Q	83.7	Confident	86.9	Confident	167 Å²	167	58.9 Å²	58.9	78%	0.78	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	7.7	-176.5	-61.2	-179.7	1.4	0	0	112.2	R660 A661 S665	R660-Q663 CarbonylContact O-C 3.56Å; R660-Q663 PolarHBondContact O-N 3.28Å; A661-Q663 PolarHBondContact O-N 3.5Å; Q663-S665 PolarHBondContact O-N 3.45Å
664	E	85.7	Confident	86.4	Confident	43 Å²	43	66.4 Å²	66.4	20%	0.201	34%	0.344	C	S	.	.			trans	-72.6	121.9	-175.2	-175.9	56.3	-96.9	0	0	110.5	R660 A661 W666 S705	R660-E664 PolarHBondContact O-N 3.12Å; A661-E664 PolarHBondContact O-N 3.37Å; E664-W666 HydrophobicContact CG-CD2 3.81Å; E664-W666 HydrophobicContact CG-CE3 4.21Å; E664-W666 HydrophobicContact CG-CG 4.23Å; E664-W666 HydrophobicContact CG-CH2 4.27Å; E664-W666 HydrophobicContact CG-CZ2 3.84Å; E664-W666 HydrophobicContact CG-CZ3 4.44Å; E664-W666 PolarHBondContact OE1-N 2.96Å; E664-S705 WeakPolarHBondContact OE2-CB 3.33Å
665	S	83	Confident	85.9	Confident	56 Å²	56	68.2 Å²	68.2	39%	0.392	37%	0.366	S	S	.	.			trans	-103.3	-4.9	178.3	64.4	0	0	0	0	113.2	Q663 E667	Q663-S665 PolarHBondContact O-N 3.45Å; S665-E667 VanDerWaalsContact C-N 3.29Å; S665-E667 PolarHBondContact O-N 3.32Å; S665-E667 WeakPolarHBondContact OG-CG 3.43Å; S665-E667 PolarHBondContact OG-OE1 2.92Å
666	W	87.1	Confident	85.5	Confident	22 Å²	22	69.6 Å²	69.6	8%	0.083	37%	0.372	C	S	.	.			trans	59.3	38.3	-175.4	-59.5	105.5	0	0	0	113.1	E664 T703 F747 V750 I763 I764	E664-W666 HydrophobicContact CG-CD2 3.81Å; E664-W666 HydrophobicContact CG-CE3 4.21Å; E664-W666 HydrophobicContact CG-CG 4.23Å; E664-W666 HydrophobicContact CG-CH2 4.27Å; E664-W666 HydrophobicContact CG-CZ2 3.84Å; E664-W666 HydrophobicContact CG-CZ3 4.44Å; E664-W666 PolarHBondContact OE1-N 2.96Å; W666-T703 HydrophobicContact CE3-CG2 4.07Å; W666-T703 HydrophobicContact CZ3-CG2 4.47Å; W666-F747 AromaticContact CH2-CD1 3.87Å; W666-F747 HydrophobicContact CH2-CD1 3.87Å; W666-F747 AromaticContact CH2-CE1 3.6Å; W666-F747 HydrophobicContact CH2-CE1 3.6Å; W666-F747 HydrophobicContact CH2-CZ 4.24Å; W666-F747 HydrophobicContact CZ3-CD1 4.43Å; W666-F747 AromaticContact CZ3-CE1 3.77Å; W666-F747 HydrophobicContact CZ3-CE1 3.77Å; W666-F747 HydrophobicContact CZ3-CZ 4.37Å; W666-V750 HydrophobicContact CH2-CG2 4.21Å; W666-V750 HydrophobicContact CZ2-CG2 3.46Å; W666-V750 VanDerWaalsContact CZ2-CG2 3.46Å; W666-I763 VanDerWaalsContact O-CD1 3.31Å; W666-I763 WeakPolarHBondContact O-CD1 3.25Å; W666-I764 HydrophobicContact CD2-CD1 4.13Å; W666-I764 HydrophobicContact CD2-CG1 3.51Å; W666-I764 HydrophobicContact CE3-CB 4.39Å; W666-I764 HydrophobicContact CE3-CG1 3.43Å; W666-I764 VanDerWaalsContact CE3-CG1 3.43Å; W666-I764 HydrophobicContact CG-CD1 4.34Å; W666-I764 HydrophobicContact CG-CG1 4.08Å; W666-I764 HydrophobicContact CH2-CG1 4.19Å; W666-I764 HydrophobicContact CZ2-CG1 4.28Å; W666-I764 HydrophobicContact CZ3-CB 4.37Å; W666-I764 HydrophobicContact CZ3-CG1 3.78Å
667	E	86.1	Confident	85.1	Confident	105 Å²	105	69.3 Å²	69.3	49%	0.491	37%	0.365	S	S	.	.			trans	-93	141.7	174.3	-72.8	179.1	-141.3	0	0	112	S665 N671	S665-E667 VanDerWaalsContact C-N 3.29Å; S665-E667 PolarHBondContact O-N 3.32Å; S665-E667 WeakPolarHBondContact OG-CG 3.43Å; S665-E667 PolarHBondContact OG-OE1 2.92Å; E667-N671 PolarHBondContact OE2-ND2 2.83Å
668	T	86.3	Confident	84.7	Confident	25 Å²	25	74.3 Å²	74.3	15%	0.153	39%	0.392	C	S	.	.	B	Isolated β-bridge	trans	-80.7	151.7	179.7	48.7	0	0	0	0	111.9	S670 N671 L700 L702 I763	T668-S670 PolarHBondContact O-N 3.07Å; T668-S670 PolarHBondContact OG1-OG 3.08Å; T668-N671 PolarHBondContact O-N 3.14Å; T668-L700 WeakPolarHBondContact CB-O 3.34Å; T668-L702 WeakPolarHBondContact CA-O 3.44Å; T668-I763 HydrophobicContact CG2-CB 4.48Å; T668-I763 HydrophobicContact CG2-CD1 3.68Å; T668-I763 HydrophobicContact CG2-CG1 3.64Å; T668-I763 HydrophobicContact CG2-CG2 4.02Å
669	L	84	Confident	84.4	Confident	4 Å²	4	77.1 Å²	77.1	2%	0.021	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-56.1	-20.5	172.5	-68.2	174.9	0	0	0	113.1	N671 L672 Q677 I680 L700 L702 M704	L669-N671 PolarHBondContact O-N 2.97Å; L669-N671 VanDerWaalsContact O-N 3.17Å; L669-L672 HydrophobicContact CB-CD1 4.42Å; L669-L672 HydrophobicContact CD2-CD1 3.59Å; L669-L672 WeakPolarHBondContact O-CB 3.43Å; L669-L672 PolarHBondContact O-N 3.5Å; L669-Q677 WeakPolarHBondContact O-CG 3.29Å; L669-Q677 PolarHBondContact O-NE2 2.95Å; L669-I680 HydrophobicContact CD1-CG2 3.82Å; L669-I680 HydrophobicContact CD2-CD1 3.91Å; L669-L700 PolarHBondContact N-O 3.37Å; L669-L702 HydrophobicContact CD1-CB 3.97Å; L669-L702 VanDerWaalsContact CG-O 3.31Å; L669-L702 WeakPolarHBondContact CG-O 3.44Å; L669-L702 PolarHBondContact N-O 3.22Å; L669-M704 HydrophobicContact CD2-CG 3.9Å; L669-M704 HydrophobicContact CD2-SD 3.2Å; L669-M704 WeakPolarHBondContact CD2-SD 3.35Å
670	S	81.9	Confident	84.2	Confident	56 Å²	56	73.8 Å²	73.8	39%	0.392	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-59.3	-20.1	173.6	64.6	0	0	0	0	114.7	T668 L672 Q677 L700	T668-S670 PolarHBondContact O-N 3.07Å; T668-S670 PolarHBondContact OG1-OG 3.08Å; S670-L672 VanDerWaalsContact C-N 3.3Å; S670-Q677 VanDerWaalsContact C-NE2 3.34Å; S670-Q677 PolarHBondContact O-NE2 3.13Å; S670-L700 PolarHBondContact N-O 2.83Å; S670-L700 VanDerWaalsContact N-O 3.14Å
671	N	80.6	Confident	83.9	Confident	105 Å²	105	73.3 Å²	73.3	56%	0.561	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-78.5	-14.5	179.2	-68	-6.9	0	0	0	113	E667 T668 L669	E667-N671 PolarHBondContact OE2-ND2 2.83Å; T668-N671 PolarHBondContact O-N 3.14Å; L669-N671 PolarHBondContact O-N 2.97Å; L669-N671 VanDerWaalsContact O-N 3.17Å
672	L	83.8	Confident	83.6	Confident	44 Å²	44	74.3 Å²	74.3	23%	0.23	39%	0.394	C	S	.	.	S	Bend	trans	-77.4	161.9	-177.8	-69.6	160	0	0	0	112.2	L669 S670 E676 Q677 I680 M704	L669-L672 HydrophobicContact CB-CD1 4.42Å; L669-L672 HydrophobicContact CD2-CD1 3.59Å; L669-L672 WeakPolarHBondContact O-CB 3.43Å; L669-L672 PolarHBondContact O-N 3.5Å; S670-L672 VanDerWaalsContact C-N 3.3Å; L672-E676 HydrophobicContact CB-CB 4.49Å; L672-Q677 HydrophobicContact CB-CG 4.08Å; L672-Q677 PolarHBondContact O-NE2 3.45Å; L672-I680 HydrophobicContact CD1-CD1 3.95Å; L672-M704 HydrophobicContact CD1-CG 4.36Å; L672-M704 HydrophobicContact CD1-SD 3.59Å; L672-M704 VanDerWaalsContact CD1-SD 3.59Å
673	P	86.5	Confident	83.5	Confident	80 Å²	80	68.1 Å²	68.1	52%	0.519	37%	0.368	S	S	.	.			trans	-58.8	142.3	170.6	-21.7	33.2	0	0	0	111.9	G675 E676 Q677	P673-G675 PolarHBondContact O-N 3.36Å; P673-G675 VanDerWaalsContact O-N 3.1Å; P673-E676 PolarHBondContact O-N 2.86Å; P673-Q677 PolarHBondContact O-N 2.86Å; P673-Q677 VanDerWaalsContact O-N 3.1Å
674	K	79.3	Confident	83.4	Confident	169 Å²	169	60.2 Å²	60.2	74%	0.735	33%	0.331	S	S	*	.	H	α-helix	trans	-50.1	-40.7	-178.1	-68.4	-177.9	179.1	-179.9	0	113.6	E676 Q677 D678	K674-E676 VanDerWaalsContact C-N 3.31Å; K674-E676 PolarHBondContact O-N 3.43Å; K674-Q677 WeakPolarHBondContact O-CB 3.3Å; K674-Q677 PolarHBondContact O-N 3.21Å; K674-D678 VanDerWaalsContact O-CG 3.31Å; K674-D678 PolarHBondContact O-N 3.46Å
675	G	82.2	Confident	83.3	Confident	56 Å²	56	62 Å²	62	58%	0.577	34%	0.341	S	S	*	.	H	α-helix	trans	-64.2	-31.4	178.4	0	0	0	0	0	114.4	P673 K679	P673-G675 PolarHBondContact O-N 3.36Å; P673-G675 VanDerWaalsContact O-N 3.1Å; G675-K679 PolarHBondContact O-N 3.49Å
676	E	82	Confident	83.1	Confident	99 Å²	99	62.6 Å²	62.6	46%	0.463	34%	0.337	S	S	.	.	H	α-helix	trans	-77.9	-37.7	174.1	-68.7	-174.2	-160.4	0	0	111.6	L672 P673 K674 K679 I680	L672-E676 HydrophobicContact CB-CB 4.49Å; P673-E676 PolarHBondContact O-N 2.86Å; K674-E676 VanDerWaalsContact C-N 3.31Å; K674-E676 PolarHBondContact O-N 3.43Å; E676-K679 PolarHBondContact O-N 2.75Å; E676-I680 WeakPolarHBondContact O-CG1 3.26Å; E676-I680 PolarHBondContact O-N 2.83Å
677	Q	82.6	Confident	82.4	Confident	25 Å²	25	62.9 Å²	62.9	12%	0.117	34%	0.339	C	S	.	.	H	α-helix	trans	-58.1	-49.9	174.5	-64.6	-178.3	11.3	0	0	111.4	L669 S670 L672 P673 K674 K679 I680 I681 L700	L669-Q677 WeakPolarHBondContact O-CG 3.29Å; L669-Q677 PolarHBondContact O-NE2 2.95Å; S670-Q677 VanDerWaalsContact C-NE2 3.34Å; S670-Q677 PolarHBondContact O-NE2 3.13Å; L672-Q677 HydrophobicContact CB-CG 4.08Å; L672-Q677 PolarHBondContact O-NE2 3.45Å; P673-Q677 PolarHBondContact O-N 2.86Å; P673-Q677 VanDerWaalsContact O-N 3.1Å; K674-Q677 WeakPolarHBondContact O-CB 3.3Å; K674-Q677 PolarHBondContact O-N 3.21Å; Q677-K679 VanDerWaalsContact C-N 3.26Å; Q677-K679 PolarHBondContact O-N 3.47Å; Q677-I680 PolarHBondContact O-N 3.38Å; Q677-I681 WeakPolarHBondContact O-CG1 3.28Å; Q677-I681 PolarHBondContact O-N 2.96Å; Q677-L700 HydrophobicContact CB-CD2 3.87Å; Q677-L700 HydrophobicContact CG-CD2 3.91Å
678	D	82.6	Confident	81.8	Confident	108 Å²	108	59.9 Å²	59.9	58%	0.578	34%	0.336	S	S	*	.	H	α-helix	trans	-61	-38	179.9	-67.9	-28.6	0	0	0	111.3	K674 A682	K674-D678 VanDerWaalsContact O-CG 3.31Å; K674-D678 PolarHBondContact O-N 3.46Å; D678-A682 WeakPolarHBondContact O-CB 3.4Å; D678-A682 PolarHBondContact O-N 3Å
679	K	85.3	Confident	81.4	Confident	140 Å²	140	58.9 Å²	58.9	61%	0.609	33%	0.33	S	S	*	.	H	α-helix	trans	-65.9	-45.1	175.6	-174.7	-179.8	178.3	-178.6	0	112.1	G675 E676 Q677 A682 D683	G675-K679 PolarHBondContact O-N 3.49Å; E676-K679 PolarHBondContact O-N 2.75Å; Q677-K679 VanDerWaalsContact C-N 3.26Å; Q677-K679 PolarHBondContact O-N 3.47Å; K679-A682 PolarHBondContact O-N 2.97Å; K679-D683 PolarHBondContact O-N 3.37Å
680	I	83.6	Confident	81	Confident	12 Å²	12	59 Å²	59	6%	0.062	33%	0.33	C	S	.	.	H	α-helix	trans	-66	-41.7	179.2	-70.2	169.8	0	0	0	111	L669 L672 E676 Q677 D683 L684 M704 Y707	L669-I680 HydrophobicContact CD1-CG2 3.82Å; L669-I680 HydrophobicContact CD2-CD1 3.91Å; L672-I680 HydrophobicContact CD1-CD1 3.95Å; E676-I680 WeakPolarHBondContact O-CG1 3.26Å; E676-I680 PolarHBondContact O-N 2.83Å; Q677-I680 PolarHBondContact O-N 3.38Å; I680-D683 WeakPolarHBondContact O-CB 3.4Å; I680-D683 PolarHBondContact O-N 3.05Å; I680-L684 HydrophobicContact CG2-CD1 4.02Å; I680-L684 HydrophobicContact CG2-CG 4.42Å; I680-L684 WeakPolarHBondContact O-CB 3.47Å; I680-L684 WeakPolarHBondContact O-CG 3.44Å; I680-L684 PolarHBondContact O-N 3.34Å; I680-M704 HydrophobicContact CD1-SD 3.98Å; I680-Y707 HydrophobicContact CB-CE2 4.36Å; I680-Y707 HydrophobicContact CG1-CE1 4.19Å; I680-Y707 HydrophobicContact CG1-CE2 4.28Å; I680-Y707 HydrophobicContact CG2-CD2 3.56Å; I680-Y707 HydrophobicContact CG2-CE2 3.79Å; I680-Y707 HydrophobicContact CG2-CG 3.99Å
681	I	81.5	Confident	80.5	Confident	36 Å²	36	59.8 Å²	59.8	19%	0.185	33%	0.33	C	S	.	.	H	α-helix	trans	-64.3	-44.8	176.2	-67.9	169.6	0	0	0	110.1	Q677 D683 L684 M685 L700	Q677-I681 WeakPolarHBondContact O-CG1 3.28Å; Q677-I681 PolarHBondContact O-N 2.96Å; I681-D683 VanDerWaalsContact C-N 3.35Å; I681-D683 PolarHBondContact O-N 3.44Å; I681-L684 PolarHBondContact O-N 3.49Å; I681-M685 HydrophobicContact CG2-CG 4.26Å; I681-M685 HydrophobicContact CG2-SD 3.86Å; I681-M685 WeakPolarHBondContact O-CB 3.4Å; I681-M685 VanDerWaalsContact O-CG 3.27Å; I681-M685 WeakPolarHBondContact O-CG 3.4Å; I681-M685 PolarHBondContact O-N 2.95Å; I681-L700 HydrophobicContact CD1-CD2 3.82Å; I681-L700 HydrophobicContact CD1-CG 4.16Å
682	A	82.4	Confident	79.8	Confident	54 Å²	54	62.2 Å²	62.2	45%	0.446	34%	0.338	S	S	.	.	H	α-helix	trans	-58.4	-46.1	175.4	0	0	0	0	0	111.5	D678 K679 M685 E686	D678-A682 WeakPolarHBondContact O-CB 3.4Å; D678-A682 PolarHBondContact O-N 3Å; K679-A682 PolarHBondContact O-N 2.97Å; A682-M685 PolarHBondContact O-N 3.33Å; A682-E686 WeakPolarHBondContact O-CB 3.36Å; A682-E686 PolarHBondContact O-N 3.4Å
683	D	82.9	Confident	78.8	Confident	25 Å²	25	69.1 Å²	69.1	13%	0.134	36%	0.363	C	S	.	.	H	α-helix	trans	-56.6	-55.1	174	-76.1	1.1	0	0	0	110.2	K679 I680 I681 M685 E686 F687 Y707 R711	K679-D683 PolarHBondContact O-N 3.37Å; I680-D683 WeakPolarHBondContact O-CB 3.4Å; I680-D683 PolarHBondContact O-N 3.05Å; I681-D683 VanDerWaalsContact C-N 3.35Å; I681-D683 PolarHBondContact O-N 3.44Å; D683-M685 VanDerWaalsContact C-N 3.27Å; D683-M685 PolarHBondContact O-N 3.15Å; D683-E686 CarbonylContact O-C 3.43Å; D683-E686 WeakPolarHBondContact O-CA 3.23Å; D683-E686 WeakPolarHBondContact O-CB 3.26Å; D683-E686 PolarHBondContact O-N 3.48Å; D683-F687 HydrophobicContact CB-CE1 4.09Å; D683-F687 HydrophobicContact CB-CZ 4.11Å; D683-F687 WeakPolarHBondContact O-CD1 3.45Å; D683-F687 WeakPolarHBondContact O-CE1 3.44Å; D683-F687 WeakPolarHBondContact O-CG 3.36Å; D683-F687 PolarHBondContact O-N 2.92Å; D683-Y707 HydrophobicContact CB-CE2 4.17Å; D683-Y707 PolarHBondContact OD2-OH 3.27Å; D683-R711 IonicContact OD2-NH1 2.96Å; D683-R711 PolarHBondContact OD2-NH1 3.32Å
684	L	83	Confident	77.9	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-62.6	-30.8	-177.6	-71.2	175.9	0	0	0	113.7	I680 I681 F687 G688 I689 L690 L702 Y707 I710	I680-L684 HydrophobicContact CG2-CD1 4.02Å; I680-L684 HydrophobicContact CG2-CG 4.42Å; I680-L684 WeakPolarHBondContact O-CB 3.47Å; I680-L684 WeakPolarHBondContact O-CG 3.44Å; I680-L684 PolarHBondContact O-N 3.34Å; I681-L684 PolarHBondContact O-N 3.49Å; L684-F687 HydrophobicContact CD2-CD2 4.26Å; L684-G688 PolarHBondContact O-N 3.37Å; L684-I689 PolarHBondContact O-N 3.42Å; L684-I689 VanDerWaalsContact O-N 3.16Å; L684-L690 HydrophobicContact CB-CB 4.34Å; L684-L690 HydrophobicContact CB-CD1 3.57Å; L684-L690 HydrophobicContact CB-CG 3.96Å; L684-L690 HydrophobicContact CD1-CD1 3.69Å; L684-L690 HydrophobicContact CD1-CG 4.46Å; L684-L690 HydrophobicContact CG-CD1 4.29Å; L684-L690 PolarHBondContact O-N 3.45Å; L684-L690 VanDerWaalsContact O-N 3.1Å; L684-L702 HydrophobicContact CD1-CD1 4.11Å; L684-Y707 HydrophobicContact CD1-CD2 4.34Å; L684-Y707 HydrophobicContact CD2-CD2 4Å; L684-Y707 HydrophobicContact CG-CD2 4.05Å; L684-Y707 HydrophobicContact CG-CE2 4.42Å; L684-I710 HydrophobicContact CD2-CB 4.43Å; L684-I710 HydrophobicContact CD2-CD1 3.73Å; L684-I710 HydrophobicContact CD2-CG2 3.83Å
685	M	82.2	Confident	77.3	Confident	82 Å²	82	59.7 Å²	59.7	40%	0.404	32%	0.32	S	S	.	.	H	α-helix	trans	-72.5	-42.1	171.7	-73.2	-178.3	70.4	0	0	111.7	I681 A682 D683 F687 G688 L690 Q692	I681-M685 HydrophobicContact CG2-CG 4.26Å; I681-M685 HydrophobicContact CG2-SD 3.86Å; I681-M685 WeakPolarHBondContact O-CB 3.4Å; I681-M685 VanDerWaalsContact O-CG 3.27Å; I681-M685 WeakPolarHBondContact O-CG 3.4Å; I681-M685 PolarHBondContact O-N 2.95Å; A682-M685 PolarHBondContact O-N 3.33Å; D683-M685 VanDerWaalsContact C-N 3.27Å; D683-M685 PolarHBondContact O-N 3.15Å; M685-F687 PolarHBondContact O-N 3.47Å; M685-G688 WeakPolarHBondContact O-CA 3.36Å; M685-G688 PolarHBondContact O-N 2.94Å; M685-L690 HydrophobicContact CG-CB 4.12Å; M685-Q692 HydrophobicContact CE-CG 4.3Å
686	E	80	Confident	76.4	Confident	67 Å²	67	61 Å²	61	31%	0.313	33%	0.326	S	S	.	.	H	α-helix	trans	-61.6	-30.4	172.8	-162.8	-148.8	132.7	0	0	110.9	L311 A682 D683 G688 R714	L311-E686 WeakPolarHBondContact CD1-O 3.43Å; A682-E686 WeakPolarHBondContact O-CB 3.36Å; A682-E686 PolarHBondContact O-N 3.4Å; D683-E686 CarbonylContact O-C 3.43Å; D683-E686 WeakPolarHBondContact O-CA 3.23Å; D683-E686 WeakPolarHBondContact O-CB 3.26Å; D683-E686 PolarHBondContact O-N 3.48Å; E686-G688 PolarHBondContact O-N 3.06Å; E686-R714 PolarHBondContact O-NH1 3.16Å; E686-R714 IonicContact OE1-CZ 2.72Å; E686-R714 IonicContact OE1-NH1 3.58Å; E686-R714 IonicContact OE1-NH2 3.52Å; E686-R714 PolarHBondContact OE1-NH2 3.43Å
687	F	72.7	Confident	75.6	Confident	28 Å²	28	60.8 Å²	60.8	12%	0.123	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-11.9	175.5	-60.2	9.7	0	0	0	112.2	D683 L684 M685 I689 I710 R711	D683-F687 HydrophobicContact CB-CE1 4.09Å; D683-F687 HydrophobicContact CB-CZ 4.11Å; D683-F687 WeakPolarHBondContact O-CD1 3.45Å; D683-F687 WeakPolarHBondContact O-CE1 3.44Å; D683-F687 WeakPolarHBondContact O-CG 3.36Å; D683-F687 PolarHBondContact O-N 2.92Å; L684-F687 HydrophobicContact CD2-CD2 4.26Å; M685-F687 PolarHBondContact O-N 3.47Å; F687-I689 HydrophobicContact CB-CB 4.48Å; F687-I689 HydrophobicContact CB-CD1 3.89Å; F687-I689 HydrophobicContact CB-CG1 3.98Å; F687-I689 HydrophobicContact CD2-CD1 4.22Å; F687-I689 PolarHBondContact O-N 2.9Å; F687-I710 HydrophobicContact CD2-CG2 3.56Å; F687-I710 HydrophobicContact CE2-CG2 3.93Å; F687-R711 HydrophobicContact CE2-CB 4.35Å; F687-R711 HydrophobicContact CZ-CG 4.5Å
688	G	73.2	Confident	74.9	Confident	43 Å²	43	61.3 Å²	61.3	44%	0.443	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	13.1	-174.2	0	0	0	0	0	112.6	L684 M685 E686 K778	L684-G688 PolarHBondContact O-N 3.37Å; M685-G688 WeakPolarHBondContact O-CA 3.36Å; M685-G688 PolarHBondContact O-N 2.94Å; E686-G688 PolarHBondContact O-N 3.06Å; G688-K778 WeakPolarHBondContact O-CE 3.38Å; G688-K778 PolarHBondContact O-NZ 2.71Å
689	I	78.3	Confident	74.2	Confident	4 Å²	4	56.2 Å²	56.2	2%	0.021	30%	0.302	C	S	.	.	S	Bend	trans	-85.2	-36	178.9	-60	169.7	0	0	0	109.8	L684 F687 I710 F770 I775 K778 F779	L684-I689 PolarHBondContact O-N 3.42Å; L684-I689 VanDerWaalsContact O-N 3.16Å; F687-I689 HydrophobicContact CB-CB 4.48Å; F687-I689 HydrophobicContact CB-CD1 3.89Å; F687-I689 HydrophobicContact CB-CG1 3.98Å; F687-I689 HydrophobicContact CD2-CD1 4.22Å; F687-I689 PolarHBondContact O-N 2.9Å; I689-I710 HydrophobicContact CD1-CB 4.37Å; I689-I710 HydrophobicContact CD1-CG1 4.39Å; I689-I710 HydrophobicContact CD1-CG2 3.19Å; I689-F770 HydrophobicContact CG2-CE1 3.89Å; I689-F770 HydrophobicContact CG2-CZ 3.67Å; I689-I775 HydrophobicContact CG2-CG1 4.47Å; I689-K778 VanDerWaalsContact CA-NZ 3.35Å; I689-K778 HydrophobicContact CB-CD 4.46Å; I689-K778 HydrophobicContact CG1-CD 4.38Å; I689-K778 PolarHBondContact O-NZ 3.18Å; I689-F779 HydrophobicContact CD1-CE2 3.7Å; I689-F779 HydrophobicContact CD1-CZ 3.85Å
690	L	74.6	Confident	73.8	Confident	5 Å²	5	52.6 Å²	52.6	3%	0.026	29%	0.289	C	S	.	.	S	Bend	trans	-98.6	143.9	163.4	-69.6	175	0	0	0	110.6	L684 M685 F770	L684-L690 HydrophobicContact CB-CB 4.34Å; L684-L690 HydrophobicContact CB-CD1 3.57Å; L684-L690 HydrophobicContact CB-CG 3.96Å; L684-L690 HydrophobicContact CD1-CD1 3.69Å; L684-L690 HydrophobicContact CD1-CG 4.46Å; L684-L690 HydrophobicContact CG-CD1 4.29Å; L684-L690 PolarHBondContact O-N 3.45Å; L684-L690 VanDerWaalsContact O-N 3.1Å; M685-L690 HydrophobicContact CG-CB 4.12Å; L690-F770 HydrophobicContact CD2-CE2 3.73Å; L690-F770 HydrophobicContact CD2-CZ 3.84Å; L690-F770 HydrophobicContact CG-CZ 4.34Å
691	N	71.5	Confident	73.9	Confident	73 Å²	73	56.7 Å²	56.7	39%	0.39	31%	0.306	S	S	.	.			trans	-115.7	168.5	164.2	69	31.6	0	0	0	109.6	Y693 T694 A695	N691-Y693 PolarHBondContact O-N 3.1Å; N691-Y693 WeakPolarHBondContact OD1-CB 3.31Å; N691-Y693 PolarHBondContact OD1-N 2.96Å; N691-Y693 VanDerWaalsContact OD1-N 3.1Å; N691-T694 PolarHBondContact N-OG1 2.89Å; N691-T694 PolarHBondContact O-N 3.23Å; N691-T694 VanDerWaalsContact O-N 3.15Å; N691-T694 PolarHBondContact O-OG1 3.18Å; N691-T694 WeakPolarHBondContact OD1-CB 3.13Å; N691-T694 WeakPolarHBondContact OD1-CG2 3.2Å; N691-T694 PolarHBondContact OD1-N 2.93Å; N691-T694 PolarHBondContact OD1-OG1 3.24Å; N691-A695 WeakPolarHBondContact O-CB 3.47Å; N691-A695 PolarHBondContact O-N 3.36Å
692	Q	66.6	Low	74.2	Confident	157 Å²	157	55 Å²	55	73%	0.734	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-31.3	-176.1	-52.4	179.9	24.1	0	0	113.4	M685	M685-Q692 HydrophobicContact CE-CG 4.3Å
693	Y	62.3	Low	74.5	Confident	188 Å²	188	52.4 Å²	52.4	74%	0.737	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-48.2	179.2	-53.4	-72.8	0	0	0	111.9	N691 A695 A696	N691-Y693 PolarHBondContact O-N 3.1Å; N691-Y693 WeakPolarHBondContact OD1-CB 3.31Å; N691-Y693 PolarHBondContact OD1-N 2.96Å; N691-Y693 VanDerWaalsContact OD1-N 3.1Å; Y693-A695 VanDerWaalsContact C-N 3.3Å; Y693-A695 PolarHBondContact O-N 2.86Å; Y693-A696 PolarHBondContact O-N 3.28Å
694	T	67.6	Low	74.8	Confident	26 Å²	26	53.7 Å²	53.7	16%	0.16	28%	0.282	C	S	.	.	H	α-helix	trans	-72.2	-19.5	179.9	56.2	0	0	0	0	113.8	N691 A696 D697 Y698	N691-T694 PolarHBondContact N-OG1 2.89Å; N691-T694 PolarHBondContact O-N 3.23Å; N691-T694 VanDerWaalsContact O-N 3.15Å; N691-T694 PolarHBondContact O-OG1 3.18Å; N691-T694 WeakPolarHBondContact OD1-CB 3.13Å; N691-T694 WeakPolarHBondContact OD1-CG2 3.2Å; N691-T694 PolarHBondContact OD1-N 2.93Å; N691-T694 PolarHBondContact OD1-OG1 3.24Å; T694-A696 VanDerWaalsContact C-N 3.27Å; T694-A696 PolarHBondContact O-N 2.9Å; T694-D697 PolarHBondContact O-N 2.9Å; T694-D697 VanDerWaalsContact O-N 3.16Å; T694-Y698 PolarHBondContact O-N 3.06Å
695	A	66	Low	75.1	Confident	25 Å²	25	54.1 Å²	54.1	21%	0.207	29%	0.285	C	S	.	.	H	α-helix	trans	-61.5	-37.9	176.7	0	0	0	0	0	111.5	N691 Y693 G699	N691-A695 WeakPolarHBondContact O-CB 3.47Å; N691-A695 PolarHBondContact O-N 3.36Å; Y693-A695 VanDerWaalsContact C-N 3.3Å; Y693-A695 PolarHBondContact O-N 2.86Å; A695-G699 WeakPolarHBondContact O-CA 3.43Å; A695-G699 PolarHBondContact O-N 3.46Å
696	A	63.3	Low	75.4	Confident	85 Å²	85	50.4 Å²	50.4	70%	0.702	27%	0.267	S	S	*	.	H	α-helix	trans	-68.3	-36.9	173.9	0	0	0	0	0	112.3	Y693 T694	Y693-A696 PolarHBondContact O-N 3.28Å; T694-A696 VanDerWaalsContact C-N 3.27Å; T694-A696 PolarHBondContact O-N 2.9Å
697	D	65.8	Low	75.8	Confident	93 Å²	93	47.8 Å²	47.8	50%	0.497	26%	0.255	S	S	.	.	H	α-helix	trans	-76	-43.9	-175.7	-66.4	-30.9	0	0	0	113.1	T694 K701	T694-D697 PolarHBondContact O-N 2.9Å; T694-D697 VanDerWaalsContact O-N 3.16Å; D697-K701 WeakPolarHBondContact O-CD 3.49Å; D697-K701 VanDerWaalsContact O-CE 3.3Å; D697-K701 WeakPolarHBondContact O-CE 3.19Å; D697-K701 PolarHBondContact O-NZ 3.46Å
698	Y	68.5	Low	76.6	Confident	37 Å²	37	51.4 Å²	51.4	15%	0.145	27%	0.268	C	S	.	.	H	α-helix	trans	-116.6	-31.2	-170	-64.7	-83.1	0	0	0	114.2	T694 L700 K701 L702 I766 F770	T694-Y698 PolarHBondContact O-N 3.06Å; Y698-L700 PolarHBondContact O-N 2.84Å; Y698-L700 VanDerWaalsContact O-N 3.14Å; Y698-K701 WeakPolarHBondContact O-CA 3.43Å; Y698-K701 PolarHBondContact O-N 3.35Å; Y698-L702 PolarHBondContact O-N 2.92Å; Y698-I766 HydrophobicContact CD1-CG2 3.88Å; Y698-I766 HydrophobicContact CE1-CG2 4.3Å; Y698-F770 HydrophobicContact CD1-CB 4.02Å; Y698-F770 AromaticContact CD1-CD2 3.53Å; Y698-F770 HydrophobicContact CD1-CD2 3.53Å; Y698-F770 HydrophobicContact CD1-CE2 4.4Å; Y698-F770 HydrophobicContact CD1-CG 4.18Å; Y698-F770 HydrophobicContact CD2-CD2 4.03Å; Y698-F770 HydrophobicContact CD2-CE2 4.26Å; Y698-F770 HydrophobicContact CE1-CB 4.21Å; Y698-F770 HydrophobicContact CE1-CD2 4.06Å; Y698-F770 AromaticContact CG-CD2 3.52Å; Y698-F770 HydrophobicContact CG-CD2 3.52Å; Y698-F770 AromaticContact CG-CE2 3.94Å; Y698-F770 HydrophobicContact CG-CE2 3.94Å
699	G	67.7	Low	77.5	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.01	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-47.8	-54.8	-158.5	0	0	0	0	0	114.5	A695	A695-G699 WeakPolarHBondContact O-CA 3.43Å; A695-G699 PolarHBondContact O-N 3.46Å
700	L	77.2	Confident	78.1	Confident	64 Å²	64	49.2 Å²	49.2	34%	0.335	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-87.8	-6.8	-179.4	-65.3	175.3	0	0	0	114.5	T668 L669 S670 Q677 I681 Y698	T668-L700 WeakPolarHBondContact CB-O 3.34Å; L669-L700 PolarHBondContact N-O 3.37Å; S670-L700 PolarHBondContact N-O 2.83Å; S670-L700 VanDerWaalsContact N-O 3.14Å; Q677-L700 HydrophobicContact CB-CD2 3.87Å; Q677-L700 HydrophobicContact CG-CD2 3.91Å; I681-L700 HydrophobicContact CD1-CD2 3.82Å; I681-L700 HydrophobicContact CD1-CG 4.16Å; Y698-L700 PolarHBondContact O-N 2.84Å; Y698-L700 VanDerWaalsContact O-N 3.14Å
701	K	84.4	Confident	78.8	Confident	97 Å²	97	54.1 Å²	54.1	42%	0.422	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-91.2	-9.1	-178.3	-56.6	-173.1	-166.8	153.2	0	113.2	D697 Y698 I766 N767	D697-K701 WeakPolarHBondContact O-CD 3.49Å; D697-K701 VanDerWaalsContact O-CE 3.3Å; D697-K701 WeakPolarHBondContact O-CE 3.19Å; D697-K701 PolarHBondContact O-NZ 3.46Å; Y698-K701 WeakPolarHBondContact O-CA 3.43Å; Y698-K701 PolarHBondContact O-N 3.35Å; K701-I766 HydrophobicContact CB-CD1 4.34Å; K701-I766 HydrophobicContact CB-CG2 3.99Å; K701-I766 HydrophobicContact CD-CD1 3.84Å; K701-N767 PolarHBondContact O-ND2 3.47Å
702	L	87.3	Confident	79.7	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	-71.4	162.7	174.8	-58.5	178.1	0	0	0	111.1	T668 L669 L684 Y698 T706 N767 F770	T668-L702 WeakPolarHBondContact CA-O 3.44Å; L669-L702 HydrophobicContact CD1-CB 3.97Å; L669-L702 VanDerWaalsContact CG-O 3.31Å; L669-L702 WeakPolarHBondContact CG-O 3.44Å; L669-L702 PolarHBondContact N-O 3.22Å; L684-L702 HydrophobicContact CD1-CD1 4.11Å; Y698-L702 PolarHBondContact O-N 2.92Å; L702-T706 HydrophobicContact CD2-CG2 4.45Å; L702-N767 VanDerWaalsContact CA-OD1 3.28Å; L702-N767 WeakPolarHBondContact CA-OD1 3.42Å; L702-F770 HydrophobicContact CD1-CD1 3.94Å; L702-F770 HydrophobicContact CD1-CE1 3.64Å; L702-F770 HydrophobicContact CD1-CE2 4.46Å; L702-F770 HydrophobicContact CD1-CG 4.45Å; L702-F770 HydrophobicContact CD1-CZ 3.91Å; L702-F770 HydrophobicContact CD2-CB 3.79Å; L702-F770 HydrophobicContact CD2-CD1 3.67Å; L702-F770 HydrophobicContact CD2-CD2 4.21Å; L702-F770 HydrophobicContact CD2-CE1 4.25Å; L702-F770 HydrophobicContact CD2-CG 3.63Å; L702-F770 HydrophobicContact CG-CD1 4.48Å
703	T	89.8	Confident	80.8	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.006	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-94.5	161.3	171.7	56.5	0	0	0	0	111.5	W666 S705 T706 Y707 I763 N767	W666-T703 HydrophobicContact CE3-CG2 4.07Å; W666-T703 HydrophobicContact CZ3-CG2 4.47Å; T703-S705 VanDerWaalsContact C-N 3.3Å; T703-S705 PolarHBondContact O-N 2.89Å; T703-T706 PolarHBondContact O-N 3.1Å; T703-T706 PolarHBondContact OG1-N 3.16Å; T703-T706 PolarHBondContact OG1-OG1 3.46Å; T703-Y707 PolarHBondContact O-N 3.22Å; T703-Y707 VanDerWaalsContact O-N 3.15Å; T703-I763 HydrophobicContact CG2-CG2 3.84Å; T703-N767 PolarHBondContact N-OD1 3.3Å; T703-N767 PolarHBondContact OG1-OD1 3.05Å
704	M	88.5	Confident	82.1	Confident	52 Å²	52	37.3 Å²	37.3	26%	0.256	19%	0.192	S	C	.	.	H	α-helix	trans	-61.4	-36.6	172.8	-76.6	-61.4	-67.7	0	0	112.4	L669 L672 I680 T706 Y707 Y708	L669-M704 HydrophobicContact CD2-CG 3.9Å; L669-M704 HydrophobicContact CD2-SD 3.2Å; L669-M704 WeakPolarHBondContact CD2-SD 3.35Å; L672-M704 HydrophobicContact CD1-CG 4.36Å; L672-M704 HydrophobicContact CD1-SD 3.59Å; L672-M704 VanDerWaalsContact CD1-SD 3.59Å; I680-M704 HydrophobicContact CD1-SD 3.98Å; M704-T706 PolarHBondContact O-N 3.47Å; M704-Y707 HydrophobicContact CE-CD1 4.34Å; M704-Y707 PolarHBondContact O-N 3.4Å; M704-Y708 HydrophobicContact CB-CD2 4.39Å; M704-Y708 HydrophobicContact CB-CE2 4.26Å; M704-Y708 HydrophobicContact CE-CD2 4.25Å; M704-Y708 HydrophobicContact CE-CE1 4.24Å; M704-Y708 HydrophobicContact CE-CE2 3.37Å; M704-Y708 WeakPolarHBondContact CE-OH 3.49Å; M704-Y708 WeakPolarHBondContact O-CD2 3.47Å; M704-Y708 PolarHBondContact O-N 3.06Å
705	S	88.6	Confident	83	Confident	9 Å²	9	40.4 Å²	40.4	6%	0.063	21%	0.205	C	C	.	.	H	α-helix	trans	-61.3	-44.8	177.3	-175.1	0	0	0	0	111.6	E664 T703 Y707 Y708 L709	E664-S705 WeakPolarHBondContact OE2-CB 3.33Å; T703-S705 VanDerWaalsContact C-N 3.3Å; T703-S705 PolarHBondContact O-N 2.89Å; S705-Y707 PolarHBondContact O-N 2.75Å; S705-Y708 PolarHBondContact O-N 3.45Å; S705-L709 WeakPolarHBondContact O-CB 3.08Å; S705-L709 PolarHBondContact O-N 3.27Å
706	T	89.2	Confident	84.2	Confident	3 Å²	3	39.5 Å²	39.5	2%	0.018	20%	0.196	C	C	.	.	H	α-helix	trans	-63.5	-42	177.8	-66.2	0	0	0	0	111.7	L702 T703 M704 L709 I710 N767 F770 I775	L702-T706 HydrophobicContact CD2-CG2 4.45Å; T703-T706 PolarHBondContact O-N 3.1Å; T703-T706 PolarHBondContact OG1-N 3.16Å; T703-T706 PolarHBondContact OG1-OG1 3.46Å; M704-T706 PolarHBondContact O-N 3.47Å; T706-L709 PolarHBondContact O-N 3.22Å; T706-I710 HydrophobicContact CG2-CD1 4.14Å; T706-I710 WeakPolarHBondContact O-CD1 3.21Å; T706-I710 VanDerWaalsContact O-CG1 3.26Å; T706-I710 WeakPolarHBondContact O-CG1 3.44Å; T706-I710 PolarHBondContact O-N 2.91Å; T706-N767 WeakPolarHBondContact CB-OD1 3.3Å; T706-N767 PolarHBondContact OG1-OD1 2.71Å; T706-N767 VanDerWaalsContact OG1-OD1 3.08Å; T706-F770 HydrophobicContact CG2-CD1 4.35Å; T706-I775 HydrophobicContact CG2-CD1 4.03Å
707	Y	89	Confident	85.3	Confident	13 Å²	13	36.4 Å²	36.4	5%	0.051	17%	0.167	C	C	.	.	H	α-helix	trans	-60.4	-46.4	173.3	167.2	-106.4	0	0	0	112.1	I680 D683 L684 T703 M704 S705 L709 I710 R711	I680-Y707 HydrophobicContact CB-CE2 4.36Å; I680-Y707 HydrophobicContact CG1-CE1 4.19Å; I680-Y707 HydrophobicContact CG1-CE2 4.28Å; I680-Y707 HydrophobicContact CG2-CD2 3.56Å; I680-Y707 HydrophobicContact CG2-CE2 3.79Å; I680-Y707 HydrophobicContact CG2-CG 3.99Å; D683-Y707 HydrophobicContact CB-CE2 4.17Å; D683-Y707 PolarHBondContact OD2-OH 3.27Å; L684-Y707 HydrophobicContact CD1-CD2 4.34Å; L684-Y707 HydrophobicContact CD2-CD2 4Å; L684-Y707 HydrophobicContact CG-CD2 4.05Å; L684-Y707 HydrophobicContact CG-CE2 4.42Å; T703-Y707 PolarHBondContact O-N 3.22Å; T703-Y707 VanDerWaalsContact O-N 3.15Å; M704-Y707 HydrophobicContact CE-CD1 4.34Å; M704-Y707 PolarHBondContact O-N 3.4Å; S705-Y707 PolarHBondContact O-N 2.75Å; Y707-L709 PolarHBondContact O-N 2.74Å; Y707-I710 WeakPolarHBondContact O-CB 3.34Å; Y707-I710 PolarHBondContact O-N 3.08Å; Y707-R711 WeakPolarHBondContact O-CB 3.49Å; Y707-R711 PolarHBondContact O-N 3.08Å; Y707-R711 PolarHBondContact OH-NH1 3.14Å
708	Y	90.1	Very high	86.3	Confident	103 Å²	103	34.4 Å²	34.4	40%	0.404	16%	0.155	S	C	.	.	H	α-helix	trans	-67.3	-34.8	179	-73.7	-50.9	0	0	0	113.1	M704 S705 R711 S712	M704-Y708 HydrophobicContact CB-CD2 4.39Å; M704-Y708 HydrophobicContact CB-CE2 4.26Å; M704-Y708 HydrophobicContact CE-CD2 4.25Å; M704-Y708 HydrophobicContact CE-CE1 4.24Å; M704-Y708 HydrophobicContact CE-CE2 3.37Å; M704-Y708 WeakPolarHBondContact CE-OH 3.49Å; M704-Y708 WeakPolarHBondContact O-CD2 3.47Å; M704-Y708 PolarHBondContact O-N 3.06Å; S705-Y708 PolarHBondContact O-N 3.45Å; Y708-R711 PolarHBondContact O-N 3.18Å; Y708-S712 VanDerWaalsContact O-CB 3.28Å; Y708-S712 WeakPolarHBondContact O-CB 3.42Å; Y708-S712 PolarHBondContact O-N 3.39Å; Y708-S712 PolarHBondContact O-OG 2.86Å
709	L	91.3	Very high	87.2	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-58	-53.6	171.5	172.9	68.5	0	0	0	110.3	V657 S705 T706 Y707 R711 S712 L713 T739 L740 E743 L771	V657-L709 HydrophobicContact CG2-CD1 3.96Å; S705-L709 WeakPolarHBondContact O-CB 3.08Å; S705-L709 PolarHBondContact O-N 3.27Å; T706-L709 PolarHBondContact O-N 3.22Å; Y707-L709 PolarHBondContact O-N 2.74Å; L709-R711 VanDerWaalsContact C-N 3.32Å; L709-R711 PolarHBondContact O-N 3.03Å; L709-S712 PolarHBondContact O-N 3.43Å; L709-L713 HydrophobicContact CD1-CD1 3.94Å; L709-L713 HydrophobicContact CD1-CG 4.15Å; L709-L713 HydrophobicContact CG-CD1 4.03Å; L709-L713 WeakPolarHBondContact O-CB 3.27Å; L709-L713 WeakPolarHBondContact O-CG 3.37Å; L709-L713 PolarHBondContact O-N 3.42Å; L709-T739 HydrophobicContact CD1-CG2 3.67Å; L709-L740 HydrophobicContact CD2-CD2 4.31Å; L709-E743 HydrophobicContact CD2-CB 4.23Å; L709-E743 HydrophobicContact CD2-CG 3.75Å; L709-L771 HydrophobicContact CD2-CD1 3.96Å
710	I	89.9	Confident	88.1	Confident	0 Å²	0	33 Å²	33	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-54.4	-49.6	178	-72	165.9	0	0	0	110.9	L684 F687 I689 T706 Y707 S712 L713 R714 F770 I775	L684-I710 HydrophobicContact CD2-CB 4.43Å; L684-I710 HydrophobicContact CD2-CD1 3.73Å; L684-I710 HydrophobicContact CD2-CG2 3.83Å; F687-I710 HydrophobicContact CD2-CG2 3.56Å; F687-I710 HydrophobicContact CE2-CG2 3.93Å; I689-I710 HydrophobicContact CD1-CB 4.37Å; I689-I710 HydrophobicContact CD1-CG1 4.39Å; I689-I710 HydrophobicContact CD1-CG2 3.19Å; T706-I710 HydrophobicContact CG2-CD1 4.14Å; T706-I710 WeakPolarHBondContact O-CD1 3.21Å; T706-I710 VanDerWaalsContact O-CG1 3.26Å; T706-I710 WeakPolarHBondContact O-CG1 3.44Å; T706-I710 PolarHBondContact O-N 2.91Å; Y707-I710 WeakPolarHBondContact O-CB 3.34Å; Y707-I710 PolarHBondContact O-N 3.08Å; I710-S712 VanDerWaalsContact C-N 3.33Å; I710-S712 PolarHBondContact O-N 2.86Å; I710-L713 PolarHBondContact O-N 3.32Å; I710-R714 WeakPolarHBondContact O-CB 3.28Å; I710-R714 PolarHBondContact O-N 3.43Å; I710-F770 HydrophobicContact CD1-CE1 3.88Å; I710-I775 HydrophobicContact CD1-CD1 3.71Å; I710-I775 HydrophobicContact CD1-CG1 4.16Å; I710-I775 HydrophobicContact CG1-CD1 3.49Å; I710-I775 VanDerWaalsContact CG1-CD1 3.49Å; I710-I775 HydrophobicContact CG1-CG1 3.97Å
711	R	90.2	Very high	88.5	Confident	109 Å²	109	36 Å²	36	41%	0.411	16%	0.162	S	C	.	.	H	α-helix	trans	-60.9	-44.2	-179.3	-174.7	-178.9	174.1	98.4	7.3	111.3	D683 F687 Y707 Y708 L709 R714 Q715	D683-R711 IonicContact OD2-NH1 2.96Å; D683-R711 PolarHBondContact OD2-NH1 3.32Å; F687-R711 HydrophobicContact CE2-CB 4.35Å; F687-R711 HydrophobicContact CZ-CG 4.5Å; Y707-R711 WeakPolarHBondContact O-CB 3.49Å; Y707-R711 PolarHBondContact O-N 3.08Å; Y707-R711 PolarHBondContact OH-NH1 3.14Å; Y708-R711 PolarHBondContact O-N 3.18Å; L709-R711 VanDerWaalsContact C-N 3.32Å; L709-R711 PolarHBondContact O-N 3.03Å; R711-R714 PolarHBondContact O-N 3.32Å; R711-Q715 WeakPolarHBondContact O-CB 3.26Å; R711-Q715 PolarHBondContact O-N 3Å
712	S	90.5	Very high	88.5	Confident	27 Å²	27	32.7 Å²	32.7	19%	0.189	15%	0.148	C	C	.	.	H	α-helix	trans	-67.4	-44.1	-178.8	-53.7	0	0	0	0	111.8	R660 Y708 L709 I710 Q715 F716	R660-S712 PolarHBondContact NH2-OG 3.43Å; R660-S712 VanDerWaalsContact NH2-OG 3.15Å; Y708-S712 VanDerWaalsContact O-CB 3.28Å; Y708-S712 WeakPolarHBondContact O-CB 3.42Å; Y708-S712 PolarHBondContact O-N 3.39Å; Y708-S712 PolarHBondContact O-OG 2.86Å; L709-S712 PolarHBondContact O-N 3.43Å; I710-S712 VanDerWaalsContact C-N 3.33Å; I710-S712 PolarHBondContact O-N 2.86Å; S712-Q715 PolarHBondContact O-N 2.87Å; S712-F716 WeakPolarHBondContact O-CB 3.29Å; S712-F716 PolarHBondContact O-N 3.29Å
713	L	90.5	Very high	88.4	Confident	3 Å²	3	32.7 Å²	32.7	2%	0.016	15%	0.148	C	C	.	.	H	α-helix	trans	-62	-45.3	175	-73.5	176.2	0	0	0	111.6	L709 I710 Q715 F716 I717 F736 T739 L740 F779	L709-L713 HydrophobicContact CD1-CD1 3.94Å; L709-L713 HydrophobicContact CD1-CG 4.15Å; L709-L713 HydrophobicContact CG-CD1 4.03Å; L709-L713 WeakPolarHBondContact O-CB 3.27Å; L709-L713 WeakPolarHBondContact O-CG 3.37Å; L709-L713 PolarHBondContact O-N 3.42Å; I710-L713 PolarHBondContact O-N 3.32Å; L713-Q715 PolarHBondContact O-N 3.25Å; L713-F716 PolarHBondContact O-N 2.91Å; L713-I717 WeakPolarHBondContact O-CB 3.42Å; L713-I717 VanDerWaalsContact O-CG1 3.26Å; L713-I717 WeakPolarHBondContact O-CG1 3.46Å; L713-I717 PolarHBondContact O-N 3.28Å; L713-F736 HydrophobicContact CD1-CD2 4.29Å; L713-F736 HydrophobicContact CD1-CE2 4.2Å; L713-F736 HydrophobicContact CD2-CD2 4.18Å; L713-T739 HydrophobicContact CD2-CG2 3.98Å; L713-L740 HydrophobicContact CD1-CD2 4.3Å; L713-F779 HydrophobicContact CB-CE1 4.41Å; L713-F779 HydrophobicContact CB-CZ 4.21Å
714	R	87.9	Confident	87.9	Confident	35 Å²	35	38.3 Å²	38.3	13%	0.132	18%	0.179	C	C	.	.	H	α-helix	trans	-58.7	-49	175.8	175.5	178.7	161.3	151.4	-10.2	111.1	M310 L311 E686 I710 R711 F716 I717 Q718 F779	M310-R714 PolarHBondContact O-NH2 2.92Å; M310-R714 VanDerWaalsContact O-NH2 3.15Å; L311-R714 VanDerWaalsContact CD1-CZ 3.48Å; E686-R714 PolarHBondContact O-NH1 3.16Å; E686-R714 IonicContact OE1-CZ 2.72Å; E686-R714 IonicContact OE1-NH1 3.58Å; E686-R714 IonicContact OE1-NH2 3.52Å; E686-R714 PolarHBondContact OE1-NH2 3.43Å; I710-R714 WeakPolarHBondContact O-CB 3.28Å; I710-R714 PolarHBondContact O-N 3.43Å; R711-R714 PolarHBondContact O-N 3.32Å; R714-F716 VanDerWaalsContact C-N 3.3Å; R714-F716 PolarHBondContact O-N 3.07Å; R714-I717 PolarHBondContact O-N 3.02Å; R714-Q718 VanDerWaalsContact O-CB 3.29Å; R714-Q718 WeakPolarHBondContact O-CB 3.4Å; R714-Q718 PolarHBondContact O-N 3.05Å; R714-F779 HydrophobicContact CB-CE1 4.42Å; R714-F779 HydrophobicContact CB-CZ 4.35Å
715	Q	87.7	Confident	87.5	Confident	91 Å²	91	36.4 Å²	36.4	43%	0.425	17%	0.17	S	C	.	.	H	α-helix	trans	-61.9	-39.7	-178.9	-174.3	174.3	4	0	0	111.7	Y606 R711 S712 L713 S719	Y606-Q715 HydrophobicContact CD2-CG 4.34Å; R711-Q715 WeakPolarHBondContact O-CB 3.26Å; R711-Q715 PolarHBondContact O-N 3Å; S712-Q715 PolarHBondContact O-N 2.87Å; L713-Q715 PolarHBondContact O-N 3.25Å; Q715-S719 WeakPolarHBondContact O-CB 3.42Å; Q715-S719 PolarHBondContact O-N 3.47Å; Q715-S719 PolarHBondContact O-OG 2.88Å
716	F	90.2	Very high	87.1	Confident	6 Å²	6	40.4 Å²	40.4	3%	0.026	20%	0.198	C	C	.	.	H	α-helix	trans	-65	-48.2	176.4	-176.3	-113.6	0	0	0	112.4	F605 A646 Q649 L653 S712 L713 R714 Q718 S719 I720 L732 C735	F605-F716 AromaticContact CD1-CD2 3.99Å; F605-F716 HydrophobicContact CD1-CD2 3.99Å; F605-F716 HydrophobicContact CD1-CE2 4.18Å; F605-F716 AromaticContact CE1-CD2 3.72Å; F605-F716 HydrophobicContact CE1-CD2 3.72Å; F605-F716 AromaticContact CE1-CE2 3.67Å; F605-F716 HydrophobicContact CE1-CE2 3.67Å; F605-F716 HydrophobicContact CZ-CE2 4.17Å; A646-F716 HydrophobicContact CB-CZ 4.5Å; Q649-F716 HydrophobicContact CB-CD2 4.27Å; Q649-F716 HydrophobicContact CB-CE2 3.88Å; Q649-F716 HydrophobicContact CG-CD2 3.56Å; Q649-F716 HydrophobicContact CG-CE2 3.71Å; L653-F716 HydrophobicContact CD1-CB 3.8Å; L653-F716 HydrophobicContact CD1-CD1 4.13Å; L653-F716 HydrophobicContact CD1-CD2 3.95Å; L653-F716 HydrophobicContact CD1-CG 3.69Å; S712-F716 WeakPolarHBondContact O-CB 3.29Å; S712-F716 PolarHBondContact O-N 3.29Å; L713-F716 PolarHBondContact O-N 2.91Å; R714-F716 VanDerWaalsContact C-N 3.3Å; R714-F716 PolarHBondContact O-N 3.07Å; F716-Q718 VanDerWaalsContact C-N 3.34Å; F716-Q718 PolarHBondContact O-N 3.03Å; F716-S719 WeakPolarHBondContact O-CB 3.39Å; F716-S719 PolarHBondContact O-N 3.24Å; F716-S719 VanDerWaalsContact O-N 3.14Å; F716-I720 HydrophobicContact CD1-CD1 4.17Å; F716-I720 HydrophobicContact CE1-CD1 3.49Å; F716-I720 VanDerWaalsContact CE1-CD1 3.49Å; F716-I720 HydrophobicContact CE2-CD1 3.97Å; F716-I720 HydrophobicContact CE2-CG1 4.44Å; F716-I720 HydrophobicContact CZ-CD1 3.4Å; F716-I720 VanDerWaalsContact CZ-CD1 3.4Å; F716-I720 HydrophobicContact CZ-CG1 4.32Å; F716-I720 PolarHBondContact O-N 2.91Å; F716-L732 HydrophobicContact CD1-CD1 3.9Å; F716-L732 HydrophobicContact CE1-CD1 3.8Å; F716-C735 HydrophobicContact CD1-CB 4.48Å; F716-C735 HydrophobicContact CE1-CB 3.56Å; F716-C735 WeakPolarHBondContact CE1-SG 3.22Å; F716-C735 HydrophobicContact CZ-CB 4.03Å
717	I	86.9	Confident	86.6	Confident	19 Å²	19	45.6 Å²	45.6	10%	0.097	22%	0.222	C	C	.	.	H	α-helix	trans	-61.1	-44.2	177.6	-69.5	167.8	0	0	0	111	L713 R714 S719 I720 H721 L732 F779 I782 L783	L713-I717 WeakPolarHBondContact O-CB 3.42Å; L713-I717 VanDerWaalsContact O-CG1 3.26Å; L713-I717 WeakPolarHBondContact O-CG1 3.46Å; L713-I717 PolarHBondContact O-N 3.28Å; R714-I717 PolarHBondContact O-N 3.02Å; I717-S719 VanDerWaalsContact C-N 3.3Å; I717-S719 PolarHBondContact O-N 3.21Å; I717-I720 PolarHBondContact O-N 3.08Å; I717-H721 WeakPolarHBondContact O-CB 3.46Å; I717-H721 PolarHBondContact O-N 3.2Å; I717-L732 HydrophobicContact CG1-CD1 3.68Å; I717-F779 HydrophobicContact CD1-CD1 3.23Å; I717-F779 HydrophobicContact CD1-CE1 3.61Å; I717-F779 HydrophobicContact CD1-CG 4.23Å; I717-I782 HydrophobicContact CG2-CG2 4.01Å; I717-L783 HydrophobicContact CD1-CD1 4.44Å; I717-L783 HydrophobicContact CD1-CD2 4.15Å; I717-L783 HydrophobicContact CD1-CG 4.39Å; I717-L783 HydrophobicContact CG1-CD2 4.12Å; I717-L783 HydrophobicContact CG2-CD2 4.31Å
718	Q	86.6	Confident	86.4	Confident	51 Å²	51	45 Å²	45	24%	0.238	22%	0.22	C	C	.	.	H	α-helix	trans	-59.5	-43	175.4	-176.2	178.9	10.1	0	0	111.4	Y606 R714 F716 H721 L722	Y606-Q718 HydrophobicContact CE2-CG 4.4Å; R714-Q718 VanDerWaalsContact O-CB 3.29Å; R714-Q718 WeakPolarHBondContact O-CB 3.4Å; R714-Q718 PolarHBondContact O-N 3.05Å; F716-Q718 VanDerWaalsContact C-N 3.34Å; F716-Q718 PolarHBondContact O-N 3.03Å; Q718-H721 PolarHBondContact O-N 2.95Å; Q718-L722 WeakPolarHBondContact O-CG 3.3Å; Q718-L722 PolarHBondContact O-N 3.17Å
719	S	87.9	Confident	86.1	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.014	22%	0.224	C	C	.	.	H	α-helix	trans	-63	-43.6	178.2	-55.7	0	0	0	0	111.6	F605 Y606 A609 Q715 F716 I717 L722 L723	F605-S719 VanDerWaalsContact CD1-CB 3.44Å; Y606-S719 WeakPolarHBondContact CD2-OG 2.94Å; A609-S719 WeakPolarHBondContact CB-O 3.41Å; Q715-S719 WeakPolarHBondContact O-CB 3.42Å; Q715-S719 PolarHBondContact O-N 3.47Å; Q715-S719 PolarHBondContact O-OG 2.88Å; F716-S719 WeakPolarHBondContact O-CB 3.39Å; F716-S719 PolarHBondContact O-N 3.24Å; F716-S719 VanDerWaalsContact O-N 3.14Å; I717-S719 VanDerWaalsContact C-N 3.3Å; I717-S719 PolarHBondContact O-N 3.21Å; S719-L722 PolarHBondContact O-N 3.38Å; S719-L723 PolarHBondContact O-N 3.34Å
720	I	87.2	Confident	85.7	Confident	6 Å²	6	50.7 Å²	50.7	3%	0.031	26%	0.257	C	S	.	.	H	α-helix	trans	-66.2	-39.3	176.7	-68.7	-177.9	0	0	0	111.5	F605 F716 I717 L722 L723 N724 L728 L732	F605-I720 HydrophobicContact CE1-CG1 3.95Å; F605-I720 HydrophobicContact CZ-CG1 3.89Å; F716-I720 HydrophobicContact CD1-CD1 4.17Å; F716-I720 HydrophobicContact CE1-CD1 3.49Å; F716-I720 VanDerWaalsContact CE1-CD1 3.49Å; F716-I720 HydrophobicContact CE2-CD1 3.97Å; F716-I720 HydrophobicContact CE2-CG1 4.44Å; F716-I720 HydrophobicContact CZ-CD1 3.4Å; F716-I720 VanDerWaalsContact CZ-CD1 3.4Å; F716-I720 HydrophobicContact CZ-CG1 4.32Å; F716-I720 PolarHBondContact O-N 2.91Å; I717-I720 PolarHBondContact O-N 3.08Å; I720-L722 VanDerWaalsContact C-N 3.32Å; I720-L722 PolarHBondContact O-N 2.9Å; I720-L723 WeakPolarHBondContact O-CB 3.43Å; I720-L723 PolarHBondContact O-N 2.94Å; I720-L723 VanDerWaalsContact O-N 3.11Å; I720-N724 PolarHBondContact O-N 3.4Å; I720-L728 HydrophobicContact CG2-CB 4.03Å; I720-L728 HydrophobicContact CG2-CD1 4.48Å; I720-L732 HydrophobicContact CB-CD2 4.4Å; I720-L732 HydrophobicContact CD1-CB 3.83Å; I720-L732 HydrophobicContact CD1-CD1 3.71Å; I720-L732 HydrophobicContact CD1-CG 4.2Å; I720-L732 HydrophobicContact CG2-CD2 3.99Å
721	H	84.8	Confident	85.4	Confident	127 Å²	127	51.2 Å²	51.2	59%	0.588	26%	0.26	S	S	*	.	H	α-helix	trans	-63	-39.2	176.8	-168.7	68.2	0	0	0	112.2	I717 Q718 L723 N724	I717-H721 WeakPolarHBondContact O-CB 3.46Å; I717-H721 PolarHBondContact O-N 3.2Å; Q718-H721 PolarHBondContact O-N 2.95Å; H721-L723 VanDerWaalsContact C-N 3.27Å; H721-L723 PolarHBondContact O-N 3.14Å; H721-N724 PolarHBondContact O-N 3Å; H721-N724 VanDerWaalsContact O-N 3.08Å
722	L	84.2	Confident	85.2	Confident	28 Å²	28	46.8 Å²	46.8	15%	0.147	24%	0.244	C	C	.	.	H	α-helix	trans	-61.9	-33.4	173.8	-72.6	172	0	0	0	112.6	Y606 A609 Y610 Q718 S719 I720 N724	Y606-L722 HydrophobicContact CE2-CD1 4.05Å; A609-L722 HydrophobicContact CB-CB 4Å; A609-L722 HydrophobicContact CB-CD1 4.45Å; Y610-L722 HydrophobicContact CD2-CD1 4.49Å; Q718-L722 WeakPolarHBondContact O-CG 3.3Å; Q718-L722 PolarHBondContact O-N 3.17Å; S719-L722 PolarHBondContact O-N 3.38Å; I720-L722 VanDerWaalsContact C-N 3.32Å; I720-L722 PolarHBondContact O-N 2.9Å; L722-N724 PolarHBondContact O-N 3.34Å
723	L	84.7	Confident	84.9	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-67.5	-24.6	175.2	-70.1	170.7	0	0	0	112.5	F605 A609 A612 K616 W642 S719 I720 H721 C725 L728	F605-L723 HydrophobicContact CE2-CD1 4.07Å; F605-L723 HydrophobicContact CZ-CD1 3.82Å; A609-L723 HydrophobicContact CB-CD2 4.14Å; A609-L723 HydrophobicContact CB-CG 3.92Å; A612-L723 HydrophobicContact CB-CD2 3.63Å; K616-L723 WeakPolarHBondContact CE-O 3.35Å; K616-L723 PolarHBondContact NZ-O 3.46Å; W642-L723 HydrophobicContact CB-CD1 4.22Å; W642-L723 HydrophobicContact CD2-CD2 3.9Å; W642-L723 HydrophobicContact CG-CD1 4.37Å; W642-L723 HydrophobicContact CG-CD2 3.88Å; S719-L723 PolarHBondContact O-N 3.34Å; I720-L723 WeakPolarHBondContact O-CB 3.43Å; I720-L723 PolarHBondContact O-N 2.94Å; I720-L723 VanDerWaalsContact O-N 3.11Å; H721-L723 VanDerWaalsContact C-N 3.27Å; H721-L723 PolarHBondContact O-N 3.14Å; L723-C725 PolarHBondContact O-N 3.37Å; L723-L728 HydrophobicContact CB-CD1 4.26Å; L723-L728 HydrophobicContact CD1-CD1 3.68Å
724	N	80.4	Confident	84.8	Confident	120 Å²	120	48.7 Å²	48.7	64%	0.642	26%	0.257	S	S	*	.			trans	43	59.4	-179.7	-168.5	24.6	0	0	0	112.3	K616 I720 H721 L722	K616-N724 PolarHBondContact NZ-O 3.43Å; I720-N724 PolarHBondContact O-N 3.4Å; H721-N724 PolarHBondContact O-N 3Å; H721-N724 VanDerWaalsContact O-N 3.08Å; L722-N724 PolarHBondContact O-N 3.34Å
725	C	80.1	Confident	84.8	Confident	11 Å²	11	47 Å²	47	7%	0.074	25%	0.251	C	S	.	.			trans	-134.2	106.7	-177.3	-175.3	0	0	0	0	109.3	W642 L723 E727 L728	W642-C725 HydrophobicContact CE3-CB 4.47Å; L723-C725 PolarHBondContact O-N 3.37Å; C725-E727 PolarHBondContact O-N 2.89Å; C725-L728 HydrophobicContact CB-CD1 4.05Å; C725-L728 HydrophobicContact CB-CG 4.15Å; C725-L728 WeakPolarHBondContact O-CB 3.15Å; C725-L728 PolarHBondContact O-N 3.38Å
726	S	80.2	Confident	84.9	Confident	94 Å²	94	42.8 Å²	42.8	66%	0.657	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-62.3	-23.8	-177.3	51.9	0	0	0	0	113.7	L728 D729	S726-L728 PolarHBondContact O-N 3.11Å; S726-L728 VanDerWaalsContact O-N 3.09Å; S726-D729 WeakPolarHBondContact CA-OD2 3.43Å; S726-D729 WeakPolarHBondContact O-CB 3.33Å; S726-D729 PolarHBondContact O-N 2.97Å; S726-D729 VanDerWaalsContact O-N 3.16Å
727	E	79.4	Confident	84.8	Confident	111 Å²	111	43.2 Å²	43.2	52%	0.519	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-60.8	-18.6	174.1	-61.5	177.9	-166.6	0	0	112.8	S639 C725	S639-E727 WeakPolarHBondContact CB-OE2 3.36Å; S639-E727 PolarHBondContact OG-OE2 2.98Å; C725-E727 PolarHBondContact O-N 2.89Å
728	L	83.9	Confident	85	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-90.8	-8.3	-179.4	-58.6	-179.6	0	0	0	113.6	W642 K643 I720 L723 C725 S726 L730 T731 L732	W642-L728 HydrophobicContact CB-CD1 4.27Å; K643-L728 HydrophobicContact CB-CD2 3.83Å; K643-L728 HydrophobicContact CG-CD2 4.24Å; I720-L728 HydrophobicContact CG2-CB 4.03Å; I720-L728 HydrophobicContact CG2-CD1 4.48Å; L723-L728 HydrophobicContact CB-CD1 4.26Å; L723-L728 HydrophobicContact CD1-CD1 3.68Å; C725-L728 HydrophobicContact CB-CD1 4.05Å; C725-L728 HydrophobicContact CB-CG 4.15Å; C725-L728 WeakPolarHBondContact O-CB 3.15Å; C725-L728 PolarHBondContact O-N 3.38Å; S726-L728 PolarHBondContact O-N 3.11Å; S726-L728 VanDerWaalsContact O-N 3.09Å; L728-L730 VanDerWaalsContact C-N 3.31Å; L728-L730 PolarHBondContact O-N 3Å; L728-T731 WeakPolarHBondContact O-CA 3.31Å; L728-T731 WeakPolarHBondContact O-CB 3.46Å; L728-T731 PolarHBondContact O-N 3.3Å; L728-L732 WeakPolarHBondContact O-CB 3.37Å; L728-L732 PolarHBondContact O-N 3.35Å
729	D	83.5	Confident	85.2	Confident	91 Å²	91	44.4 Å²	44.4	49%	0.487	24%	0.24	S	C	.	.	H	α-helix	trans	-62.2	-39.3	-176	-65.1	-23.3	0	0	0	112	S726 L732 T733	S726-D729 WeakPolarHBondContact CA-OD2 3.43Å; S726-D729 WeakPolarHBondContact O-CB 3.33Å; S726-D729 PolarHBondContact O-N 2.97Å; S726-D729 VanDerWaalsContact O-N 3.16Å; D729-L732 PolarHBondContact O-N 3.06Å; D729-T733 PolarHBondContact O-N 3.29Å; D729-T733 PolarHBondContact O-OG1 2.68Å
730	L	83.3	Confident	85.4	Confident	133 Å²	133	44.3 Å²	44.3	70%	0.696	24%	0.239	S	C	*	.	H	α-helix	trans	-65.7	-41.4	174.4	-177.3	63.3	0	0	0	111.6	L728 L732 T733 S734	L728-L730 VanDerWaalsContact C-N 3.31Å; L728-L730 PolarHBondContact O-N 3Å; L730-L732 VanDerWaalsContact C-N 3.32Å; L730-T733 PolarHBondContact O-N 3.23Å; L730-S734 WeakPolarHBondContact O-CB 3.44Å; L730-S734 PolarHBondContact O-N 2.74Å
731	T	83.4	Confident	85.6	Confident	11 Å²	11	46.4 Å²	46.4	7%	0.067	25%	0.25	C	S	.	.	H	α-helix	trans	-64	-41.4	178.3	-50.6	0	0	0	0	110.6	A646 D647 L728 S734 C735	A646-T731 HydrophobicContact CB-CG2 4.09Å; D647-T731 WeakPolarHBondContact OD1-CG2 3.26Å; L728-T731 WeakPolarHBondContact O-CA 3.31Å; L728-T731 WeakPolarHBondContact O-CB 3.46Å; L728-T731 PolarHBondContact O-N 3.3Å; T731-S734 PolarHBondContact O-N 3.12Å; T731-C735 VanDerWaalsContact O-CB 3.31Å; T731-C735 WeakPolarHBondContact O-CB 3.33Å; T731-C735 PolarHBondContact O-N 3.01Å
732	L	85.1	Confident	86	Confident	15 Å²	15	41.1 Å²	41.1	8%	0.079	23%	0.227	C	C	.	.	H	α-helix	trans	-63.7	-44.5	178	176.9	56.7	0	0	0	111.8	F716 I717 I720 L728 D729 L730 C735 F736 L783	F716-L732 HydrophobicContact CD1-CD1 3.9Å; F716-L732 HydrophobicContact CE1-CD1 3.8Å; I717-L732 HydrophobicContact CG1-CD1 3.68Å; I720-L732 HydrophobicContact CB-CD2 4.4Å; I720-L732 HydrophobicContact CD1-CB 3.83Å; I720-L732 HydrophobicContact CD1-CD1 3.71Å; I720-L732 HydrophobicContact CD1-CG 4.2Å; I720-L732 HydrophobicContact CG2-CD2 3.99Å; L728-L732 WeakPolarHBondContact O-CB 3.37Å; L728-L732 PolarHBondContact O-N 3.35Å; D729-L732 PolarHBondContact O-N 3.06Å; L730-L732 VanDerWaalsContact C-N 3.32Å; L732-C735 PolarHBondContact O-N 3.44Å; L732-F736 WeakPolarHBondContact O-CB 3.33Å; L732-F736 PolarHBondContact O-N 2.9Å; L732-L783 HydrophobicContact CD1-CD2 3.89Å; L732-L783 HydrophobicContact CD2-CD2 3.18Å; L732-L783 HydrophobicContact CG-CD1 4.4Å; L732-L783 HydrophobicContact CG-CD2 3.4Å; L732-L783 VanDerWaalsContact CG-CD2 3.4Å
733	T	85.5	Confident	86.3	Confident	18 Å²	18	40.1 Å²	40.1	11%	0.11	22%	0.222	C	C	.	.	H	α-helix	trans	-63.3	-45.7	175.7	-55.3	0	0	0	0	111.4	D729 L730 C735 F736 V737 C785 I791	D729-T733 PolarHBondContact O-N 3.29Å; D729-T733 PolarHBondContact O-OG1 2.68Å; L730-T733 PolarHBondContact O-N 3.23Å; T733-C735 PolarHBondContact O-N 3.01Å; T733-F736 PolarHBondContact O-N 3.35Å; T733-V737 WeakPolarHBondContact O-CG2 3.47Å; T733-V737 PolarHBondContact O-N 3.41Å; T733-C785 HydrophobicContact CG2-CB 4.02Å; T733-I791 HydrophobicContact CG2-CD1 4.4Å
734	S	88.3	Confident	86.6	Confident	52 Å²	52	40.2 Å²	40.2	36%	0.364	22%	0.223	S	C	.	.	H	α-helix	trans	-59.5	-47.1	176.5	-174.9	0	0	0	0	111.8	L730 T731 F736 V737 Q738	L730-S734 WeakPolarHBondContact O-CB 3.44Å; L730-S734 PolarHBondContact O-N 2.74Å; T731-S734 PolarHBondContact O-N 3.12Å; S734-F736 PolarHBondContact O-N 3.17Å; S734-V737 PolarHBondContact O-N 3.4Å; S734-Q738 WeakPolarHBondContact O-CB 3.15Å; S734-Q738 VanDerWaalsContact O-CG 3.26Å; S734-Q738 WeakPolarHBondContact O-CG 3.26Å; S734-Q738 PolarHBondContact O-N 3.27Å
735	C	87.7	Confident	87	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.2	-46.1	177.9	174.7	0	0	0	0	112	S650 F716 T731 L732 T733 V737 Q738 T739	S650-C735 WeakPolarHBondContact CB-SG 3.29Å; S650-C735 WeakPolarHBondContact OG-CA 3.5Å; S650-C735 WeakPolarHBondContact OG-CB 3.46Å; S650-C735 PolarHBondContact OG-SG 2.86Å; F716-C735 HydrophobicContact CD1-CB 4.48Å; F716-C735 HydrophobicContact CE1-CB 3.56Å; F716-C735 WeakPolarHBondContact CE1-SG 3.22Å; F716-C735 HydrophobicContact CZ-CB 4.03Å; T731-C735 VanDerWaalsContact O-CB 3.31Å; T731-C735 WeakPolarHBondContact O-CB 3.33Å; T731-C735 PolarHBondContact O-N 3.01Å; L732-C735 PolarHBondContact O-N 3.44Å; T733-C735 PolarHBondContact O-N 3.01Å; C735-V737 PolarHBondContact O-N 3.44Å; C735-Q738 PolarHBondContact O-N 3.33Å; C735-T739 WeakPolarHBondContact O-CB 3.36Å; C735-T739 PolarHBondContact O-N 2.68Å; C735-T739 PolarHBondContact O-OG1 2.97Å
736	F	89.3	Confident	87.4	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.009	21%	0.211	C	C	.	.	H	α-helix	trans	-58.6	-48.3	178.1	176.7	-112.6	0	0	0	111.4	L713 L732 T733 S734 L740 F779 L783 I791	L713-F736 HydrophobicContact CD1-CD2 4.29Å; L713-F736 HydrophobicContact CD1-CE2 4.2Å; L713-F736 HydrophobicContact CD2-CD2 4.18Å; L732-F736 WeakPolarHBondContact O-CB 3.33Å; L732-F736 PolarHBondContact O-N 2.9Å; T733-F736 PolarHBondContact O-N 3.35Å; S734-F736 PolarHBondContact O-N 3.17Å; F736-L740 HydrophobicContact CD1-CD1 4.13Å; F736-L740 HydrophobicContact CD2-CD1 4.02Å; F736-L740 HydrophobicContact CD2-CG 4.39Å; F736-L740 HydrophobicContact CE1-CD1 3.63Å; F736-L740 HydrophobicContact CE2-CD1 3.5Å; F736-L740 VanDerWaalsContact CE2-CD1 3.5Å; F736-L740 HydrophobicContact CE2-CG 4.15Å; F736-L740 HydrophobicContact CG-CD1 4.33Å; F736-L740 HydrophobicContact CZ-CD1 3.29Å; F736-L740 HydrophobicContact CZ-CG 4.4Å; F736-L740 WeakPolarHBondContact O-CB 3.35Å; F736-L740 VanDerWaalsContact O-CG 3.3Å; F736-L740 WeakPolarHBondContact O-CG 3.49Å; F736-L740 PolarHBondContact O-N 3.25Å; F736-F779 HydrophobicContact CD2-CB 4.28Å; F736-F779 HydrophobicContact CE2-CB 3.39Å; F736-F779 HydrophobicContact CE2-CD2 4.4Å; F736-F779 HydrophobicContact CE2-CG 4.04Å; F736-F779 HydrophobicContact CZ-CB 3.54Å; F736-L783 HydrophobicContact CB-CD1 3.82Å; F736-L783 HydrophobicContact CD1-CD1 3.93Å; F736-L783 HydrophobicContact CD2-CD1 4.22Å; F736-L783 HydrophobicContact CG-CD1 3.73Å; F736-I791 HydrophobicContact CD1-CD1 4.27Å; F736-I791 HydrophobicContact CE1-CD1 4.31Å
737	V	89.4	Confident	87.8	Confident	15 Å²	15	33.8 Å²	33.8	9%	0.091	18%	0.181	C	C	.	.	H	α-helix	trans	-63.6	-44.6	177.5	172.2	0	0	0	0	111.4	T733 S734 C735 L740 N741 I791	T733-V737 WeakPolarHBondContact O-CG2 3.47Å; T733-V737 PolarHBondContact O-N 3.41Å; S734-V737 PolarHBondContact O-N 3.4Å; C735-V737 PolarHBondContact O-N 3.44Å; V737-L740 PolarHBondContact O-N 3.42Å; V737-N741 WeakPolarHBondContact CG1-ND2 3.35Å; V737-N741 WeakPolarHBondContact O-CB 3.43Å; V737-N741 PolarHBondContact O-N 2.98Å; V737-N741 PolarHBondContact O-ND2 3.41Å; V737-N741 VanDerWaalsContact O-ND2 3.16Å; V737-I791 HydrophobicContact CG2-CD1 4.37Å; V737-I791 HydrophobicContact CG2-CG1 3.68Å
738	Q	90.5	Very high	88.2	Confident	94 Å²	94	34.1 Å²	34.1	44%	0.439	18%	0.182	S	C	.	.	H	α-helix	trans	-63.5	-45.3	178.8	-75.6	174.1	-12.4	0	0	112.2	S734 C735 L740 N741 S742	S734-Q738 WeakPolarHBondContact O-CB 3.15Å; S734-Q738 VanDerWaalsContact O-CG 3.26Å; S734-Q738 WeakPolarHBondContact O-CG 3.26Å; S734-Q738 PolarHBondContact O-N 3.27Å; C735-Q738 PolarHBondContact O-N 3.33Å; Q738-L740 VanDerWaalsContact C-N 3.31Å; Q738-L740 PolarHBondContact O-N 3.34Å; Q738-N741 PolarHBondContact O-N 3.09Å; Q738-S742 PolarHBondContact O-N 3.43Å; Q738-S742 PolarHBondContact O-OG 2.95Å; Q738-S742 VanDerWaalsContact O-OG 3.14Å
739	T	91.5	Very high	88.3	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.012	21%	0.211	C	C	.	.	H	α-helix	trans	-63.7	-39.9	179.7	-51.6	0	0	0	0	110.9	L653 V657 L709 L713 C735 S742 E743	L653-T739 HydrophobicContact CB-CG2 4.49Å; V657-T739 HydrophobicContact CG2-CG2 3.92Å; L709-T739 HydrophobicContact CD1-CG2 3.67Å; L713-T739 HydrophobicContact CD2-CG2 3.98Å; C735-T739 WeakPolarHBondContact O-CB 3.36Å; C735-T739 PolarHBondContact O-N 2.68Å; C735-T739 PolarHBondContact O-OG1 2.97Å; T739-S742 PolarHBondContact O-N 2.85Å; T739-E743 PolarHBondContact O-N 2.69Å
740	L	91.7	Very high	88.4	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-73.5	-33.9	177.1	-70.7	-179.6	0	0	0	113.5	L709 L713 F736 V737 Q738 E743 L744 L771 V776 L794	L709-L740 HydrophobicContact CD2-CD2 4.31Å; L713-L740 HydrophobicContact CD1-CD2 4.3Å; F736-L740 HydrophobicContact CD1-CD1 4.13Å; F736-L740 HydrophobicContact CD2-CD1 4.02Å; F736-L740 HydrophobicContact CD2-CG 4.39Å; F736-L740 HydrophobicContact CE1-CD1 3.63Å; F736-L740 HydrophobicContact CE2-CD1 3.5Å; F736-L740 VanDerWaalsContact CE2-CD1 3.5Å; F736-L740 HydrophobicContact CE2-CG 4.15Å; F736-L740 HydrophobicContact CG-CD1 4.33Å; F736-L740 HydrophobicContact CZ-CD1 3.29Å; F736-L740 HydrophobicContact CZ-CG 4.4Å; F736-L740 WeakPolarHBondContact O-CB 3.35Å; F736-L740 VanDerWaalsContact O-CG 3.3Å; F736-L740 WeakPolarHBondContact O-CG 3.49Å; F736-L740 PolarHBondContact O-N 3.25Å; V737-L740 PolarHBondContact O-N 3.42Å; Q738-L740 VanDerWaalsContact C-N 3.31Å; Q738-L740 PolarHBondContact O-N 3.34Å; L740-E743 PolarHBondContact O-N 3.07Å; L740-L744 WeakPolarHBondContact O-CB 3.49Å; L740-L744 PolarHBondContact O-N 2.95Å; L740-L771 HydrophobicContact CD2-CD1 3.64Å; L740-L771 HydrophobicContact CD2-CG 4.46Å; L740-V776 HydrophobicContact CD1-CG2 3.82Å; L740-L794 HydrophobicContact CB-CD1 4.17Å; L740-L794 HydrophobicContact CB-CD2 3.65Å; L740-L794 HydrophobicContact CD1-CD2 3.64Å; L740-L794 HydrophobicContact CG-CD2 4.33Å
741	N	91.8	Very high	88.3	Confident	50 Å²	50	33.8 Å²	33.8	27%	0.267	17%	0.173	S	C	.	.	H	α-helix	trans	-63.8	-43.5	169.5	-80.8	-41.8	0	0	0	110.5	V737 Q738 E743 L744 D745 L794	V737-N741 WeakPolarHBondContact CG1-ND2 3.35Å; V737-N741 WeakPolarHBondContact O-CB 3.43Å; V737-N741 PolarHBondContact O-N 2.98Å; V737-N741 PolarHBondContact O-ND2 3.41Å; V737-N741 VanDerWaalsContact O-ND2 3.16Å; Q738-N741 PolarHBondContact O-N 3.09Å; N741-E743 VanDerWaalsContact C-N 3.25Å; N741-E743 PolarHBondContact O-N 3.18Å; N741-L744 WeakPolarHBondContact O-CB 3.49Å; N741-L744 PolarHBondContact O-N 2.87Å; N741-L744 VanDerWaalsContact O-N 3.12Å; N741-D745 VanDerWaalsContact O-CG 3.24Å; N741-D745 PolarHBondContact O-N 3.45Å; N741-L794 WeakPolarHBondContact OD1-CD1 3.25Å
742	S	91.4	Very high	88.3	Confident	16 Å²	16	38 Å²	38	11%	0.112	20%	0.201	C	C	.	.	H	α-helix	trans	-59.9	-36.4	174	-63.2	0	0	0	0	112.2	Q738 T739 C746	Q738-S742 PolarHBondContact O-N 3.43Å; Q738-S742 PolarHBondContact O-OG 2.95Å; Q738-S742 VanDerWaalsContact O-OG 3.14Å; T739-S742 PolarHBondContact O-N 2.85Å; S742-C746 PolarHBondContact O-N 3.12Å; S742-C746 PolarHBondContact O-SG 3.14Å
743	E	91.3	Very high	88.1	Confident	6 Å²	6	43.3 Å²	43.3	3%	0.028	23%	0.228	C	C	.	.	H	α-helix	trans	-68.7	-42.9	173.4	-167	76.8	-165.4	0	0	111.6	V657 L709 T739 L740 N741 D745 C746 F747 L771	V657-E743 HydrophobicContact CG1-CB 4.34Å; V657-E743 VanDerWaalsContact CG1-OE2 3.23Å; V657-E743 WeakPolarHBondContact CG1-OE2 3.23Å; L709-E743 HydrophobicContact CD2-CB 4.23Å; L709-E743 HydrophobicContact CD2-CG 3.75Å; T739-E743 PolarHBondContact O-N 2.69Å; L740-E743 PolarHBondContact O-N 3.07Å; N741-E743 VanDerWaalsContact C-N 3.25Å; N741-E743 PolarHBondContact O-N 3.18Å; E743-D745 VanDerWaalsContact C-N 3.33Å; E743-D745 PolarHBondContact O-N 3.45Å; E743-C746 WeakPolarHBondContact O-CA 3.08Å; E743-C746 WeakPolarHBondContact O-CB 3.37Å; E743-C746 PolarHBondContact O-N 3Å; E743-F747 HydrophobicContact CG-CD2 4.34Å; E743-F747 HydrophobicContact CG-CE2 3.88Å; E743-F747 VanDerWaalsContact O-CD2 3.27Å; E743-F747 WeakPolarHBondContact O-CD2 3.42Å; E743-F747 PolarHBondContact O-N 2.66Å; E743-L771 HydrophobicContact CG-CD2 4.26Å
744	L	90.5	Very high	88	Confident	3 Å²	3	43.9 Å²	43.9	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-57.7	-44.6	174.3	169.1	61.3	0	0	0	111.5	L740 N741 C746 F747 E748 N797 L798	L740-L744 WeakPolarHBondContact O-CB 3.49Å; L740-L744 PolarHBondContact O-N 2.95Å; N741-L744 WeakPolarHBondContact O-CB 3.49Å; N741-L744 PolarHBondContact O-N 2.87Å; N741-L744 VanDerWaalsContact O-N 3.12Å; L744-C746 PolarHBondContact O-N 3.36Å; L744-C746 VanDerWaalsContact O-N 3.09Å; L744-F747 WeakPolarHBondContact O-CA 3.23Å; L744-F747 WeakPolarHBondContact O-CB 3.4Å; L744-F747 PolarHBondContact O-N 2.8Å; L744-E748 HydrophobicContact CD1-CG 4.12Å; L744-E748 PolarHBondContact O-N 3.39Å; L744-N797 HydrophobicContact CD2-CB 3.63Å; L744-L798 HydrophobicContact CB-CD2 4.01Å; L744-L798 HydrophobicContact CD1-CD2 3.95Å; L744-L798 HydrophobicContact CG-CD2 4.38Å
745	D	89.8	Confident	87.8	Confident	71 Å²	71	43.9 Å²	43.9	38%	0.38	23%	0.226	S	C	.	.	H	α-helix	trans	-59.2	-23.1	175.4	-65.2	-18.1	0	0	0	112.1	N741 E743 R749	N741-D745 VanDerWaalsContact O-CG 3.24Å; N741-D745 PolarHBondContact O-N 3.45Å; E743-D745 VanDerWaalsContact C-N 3.33Å; E743-D745 PolarHBondContact O-N 3.45Å; D745-R749 WeakPolarHBondContact O-CB 3.36Å; D745-R749 VanDerWaalsContact O-CG 3.23Å; D745-R749 WeakPolarHBondContact O-CG 3.24Å; D745-R749 PolarHBondContact O-N 3.27Å; D745-R749 PolarHBondContact O-NE 3.42Å
746	C	88.3	Confident	87.7	Confident	15 Å²	15	48.5 Å²	48.5	10%	0.101	26%	0.258	C	S	.	.	H	α-helix	trans	-76.5	-40	173.7	-57.2	0	0	0	0	111.5	A661 S742 E743 L744 E748 R749 V750	A661-C746 HydrophobicContact CB-CB 3.91Å; A661-C746 WeakPolarHBondContact CB-SG 3.4Å; S742-C746 PolarHBondContact O-N 3.12Å; S742-C746 PolarHBondContact O-SG 3.14Å; E743-C746 WeakPolarHBondContact O-CA 3.08Å; E743-C746 WeakPolarHBondContact O-CB 3.37Å; E743-C746 PolarHBondContact O-N 3Å; L744-C746 PolarHBondContact O-N 3.36Å; L744-C746 VanDerWaalsContact O-N 3.09Å; C746-E748 VanDerWaalsContact C-N 3.34Å; C746-R749 PolarHBondContact O-N 3.04Å; C746-V750 PolarHBondContact O-N 3.27Å
747	F	87.5	Confident	87.6	Confident	3 Å²	3	51.2 Å²	51.2	1%	0.013	27%	0.273	C	S	.	.	H	α-helix	trans	-65.9	-35.1	173.8	-74.4	-77.6	0	0	0	112.5	W666 E743 L744 R749 V750 I764 N767 L768 L771	W666-F747 AromaticContact CH2-CD1 3.87Å; W666-F747 HydrophobicContact CH2-CD1 3.87Å; W666-F747 AromaticContact CH2-CE1 3.6Å; W666-F747 HydrophobicContact CH2-CE1 3.6Å; W666-F747 HydrophobicContact CH2-CZ 4.24Å; W666-F747 HydrophobicContact CZ3-CD1 4.43Å; W666-F747 AromaticContact CZ3-CE1 3.77Å; W666-F747 HydrophobicContact CZ3-CE1 3.77Å; W666-F747 HydrophobicContact CZ3-CZ 4.37Å; E743-F747 HydrophobicContact CG-CD2 4.34Å; E743-F747 HydrophobicContact CG-CE2 3.88Å; E743-F747 VanDerWaalsContact O-CD2 3.27Å; E743-F747 WeakPolarHBondContact O-CD2 3.42Å; E743-F747 PolarHBondContact O-N 2.66Å; L744-F747 WeakPolarHBondContact O-CA 3.23Å; L744-F747 WeakPolarHBondContact O-CB 3.4Å; L744-F747 PolarHBondContact O-N 2.8Å; F747-R749 VanDerWaalsContact C-N 3.33Å; F747-V750 VanDerWaalsContact O-CG2 3.24Å; F747-V750 WeakPolarHBondContact O-CG2 3.45Å; F747-I764 HydrophobicContact CD1-CG2 3.8Å; F747-I764 HydrophobicContact CE1-CG2 4.05Å; F747-N767 HydrophobicContact CE1-CB 4.38Å; F747-N767 HydrophobicContact CZ-CB 4.16Å; F747-L768 HydrophobicContact CD1-CB 4.2Å; F747-L768 HydrophobicContact CD2-CD1 4.11Å; F747-L768 HydrophobicContact CE1-CB 3.99Å; F747-L768 HydrophobicContact CE2-CD1 4.34Å; F747-L768 HydrophobicContact CG-CD1 4.23Å; F747-L768 HydrophobicContact CZ-CB 4.31Å; F747-L771 HydrophobicContact CE2-CD2 4.23Å
748	E	87.7	Confident	87.3	Confident	118 Å²	118	55 Å²	55	55%	0.551	30%	0.298	S	S	*	.	H	α-helix	trans	-73.7	-23.9	176.7	-67.1	-174.3	169.4	0	0	113.3	L744 C746	L744-E748 HydrophobicContact CD1-CG 4.12Å; L744-E748 PolarHBondContact O-N 3.39Å; C746-E748 VanDerWaalsContact C-N 3.34Å
749	R	86.1	Confident	87.1	Confident	160 Å²	160	53.4 Å²	53.4	60%	0.604	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	6.2	178.4	-72	-176.8	-65.1	179.7	-0.5	114.2	D745 C746 F747 S751	D745-R749 WeakPolarHBondContact O-CB 3.36Å; D745-R749 VanDerWaalsContact O-CG 3.23Å; D745-R749 WeakPolarHBondContact O-CG 3.24Å; D745-R749 PolarHBondContact O-N 3.27Å; D745-R749 PolarHBondContact O-NE 3.42Å; C746-R749 PolarHBondContact O-N 3.04Å; F747-R749 VanDerWaalsContact C-N 3.33Å; R749-S751 PolarHBondContact O-N 2.9Å
750	V	85.7	Confident	86.9	Confident	14 Å²	14	58 Å²	58	9%	0.085	32%	0.318	C	S	.	.			trans	-56.5	135.8	176.7	175.2	0	0	0	0	110	W666 C746 F747 D754 I755 I764	W666-V750 HydrophobicContact CH2-CG2 4.21Å; W666-V750 HydrophobicContact CZ2-CG2 3.46Å; W666-V750 VanDerWaalsContact CZ2-CG2 3.46Å; C746-V750 PolarHBondContact O-N 3.27Å; F747-V750 VanDerWaalsContact O-CG2 3.24Å; F747-V750 WeakPolarHBondContact O-CG2 3.45Å; V750-D754 HydrophobicContact CG1-CB 4Å; V750-I755 HydrophobicContact CB-CD1 4.32Å; V750-I755 HydrophobicContact CB-CG1 4.35Å; V750-I755 HydrophobicContact CG1-CD1 4.16Å; V750-I755 HydrophobicContact CG1-CG1 3.68Å; V750-I764 HydrophobicContact CG1-CD1 3.7Å
751	S	82.2	Confident	86.8	Confident	44 Å²	44	60.3 Å²	60.3	31%	0.308	33%	0.328	S	S	.	.			trans	-59.5	134.8	178.4	-179	0	0	0	0	111	R749 I753 D754 I755	R749-S751 PolarHBondContact O-N 2.9Å; S751-I753 PolarHBondContact O-N 3.35Å; S751-I753 PolarHBondContact OG-N 2.92Å; S751-D754 WeakPolarHBondContact CB-OD2 3.47Å; S751-D754 PolarHBondContact O-N 3.47Å; S751-I755 PolarHBondContact O-N 3.35Å
752	P	82.1	Confident	86.6	Confident	99 Å²	99	60.8 Å²	60.8	64%	0.643	34%	0.336	S	S	*	.	H	α-helix	trans	-54.4	-25.8	172.6	-26.5	34.4	0	0	0	113.5	S756	P752-S756 WeakPolarHBondContact O-CB 3.45Å; P752-S756 PolarHBondContact O-N 3.07Å; P752-S756 PolarHBondContact O-OG 3.12Å
753	I	81.7	Confident	86.5	Confident	128 Å²	128	61.3 Å²	61.3	66%	0.656	34%	0.337	S	S	*	.	H	α-helix	trans	-66.4	-44	175.9	-58.2	171.9	0	0	0	110.8	S751 I755 S756 D757	S751-I753 PolarHBondContact O-N 3.35Å; S751-I753 PolarHBondContact OG-N 2.92Å; I753-I755 VanDerWaalsContact C-N 3.34Å; I753-S756 PolarHBondContact O-N 3.32Å; I753-D757 PolarHBondContact O-N 3.48Å
754	D	83.9	Confident	86.4	Confident	30 Å²	30	61 Å²	61	16%	0.16	34%	0.336	C	S	.	.	H	α-helix	trans	-70.2	-33.8	179.4	-65.7	-47.4	0	0	0	111.6	V750 S751 S756 D757 R760 I764	V750-D754 HydrophobicContact CG1-CB 4Å; S751-D754 WeakPolarHBondContact CB-OD2 3.47Å; S751-D754 PolarHBondContact O-N 3.47Å; D754-S756 VanDerWaalsContact C-N 3.29Å; D754-S756 PolarHBondContact O-N 2.64Å; D754-D757 PolarHBondContact O-N 2.97Å; D754-R760 WeakPolarHBondContact O-CB 3.27Å; D754-R760 WeakPolarHBondContact OD1-CD 3.42Å; D754-R760 IonicContact OD1-CZ 3.53Å; D754-R760 IonicContact OD1-NE 2.69Å; D754-R760 IonicContact OD1-NH1 3.58Å; D754-R760 PolarHBondContact OD1-NH1 3.36Å; D754-I764 HydrophobicContact CB-CD1 4.49Å
755	I	83.4	Confident	86.3	Confident	51 Å²	51	62.2 Å²	62.2	26%	0.262	34%	0.342	S	S	.	.	H	α-helix	trans	-67.4	-32.5	174.3	-59.4	172.5	0	0	0	111.1	V750 S751 I753 D757	V750-I755 HydrophobicContact CB-CD1 4.32Å; V750-I755 HydrophobicContact CB-CG1 4.35Å; V750-I755 HydrophobicContact CG1-CD1 4.16Å; V750-I755 HydrophobicContact CG1-CG1 3.68Å; S751-I755 PolarHBondContact O-N 3.35Å; I753-I755 VanDerWaalsContact C-N 3.34Å; I755-D757 VanDerWaalsContact C-N 3.33Å
756	S	85.2	Confident	86.3	Confident	98 Å²	98	60.3 Å²	60.3	69%	0.685	33%	0.331	S	S	*	.	H	α-helix	trans	-75.1	-21.9	179.1	-58.5	0	0	0	0	113.2	P752 I753 D754 P758	P752-S756 WeakPolarHBondContact O-CB 3.45Å; P752-S756 PolarHBondContact O-N 3.07Å; P752-S756 PolarHBondContact O-OG 3.12Å; I753-S756 PolarHBondContact O-N 3.32Å; D754-S756 VanDerWaalsContact C-N 3.29Å; D754-S756 PolarHBondContact O-N 2.64Å; S756-P758 WeakPolarHBondContact O-CD 3.18Å
757	D	87	Confident	86.4	Confident	59 Å²	59	59.6 Å²	59.6	32%	0.316	33%	0.326	S	S	.	.	S	Bend	trans	-81.3	112.2	173.6	177.3	-1.5	0	0	0	109.8	I753 D754 I755 A759 R760 Q761	I753-D757 PolarHBondContact O-N 3.48Å; D754-D757 PolarHBondContact O-N 2.97Å; I755-D757 VanDerWaalsContact C-N 3.33Å; D757-A759 PolarHBondContact O-N 3.3Å; D757-A759 VanDerWaalsContact O-N 3.14Å; D757-A759 PolarHBondContact OD1-N 2.85Å; D757-R760 HydrophobicContact CB-CB 4.16Å; D757-R760 HydrophobicContact CB-CG 4.35Å; D757-R760 PolarHBondContact O-N 3.14Å; D757-R760 VanDerWaalsContact O-N 3.16Å; D757-R760 WeakPolarHBondContact OD2-CD 3.48Å; D757-R760 WeakPolarHBondContact OD2-CG 3.39Å; D757-R760 IonicContact OD2-NE 3.48Å; D757-Q761 WeakPolarHBondContact O-CB 3.42Å; D757-Q761 PolarHBondContact O-N 2.96Å
758	P	84.8	Confident	86.6	Confident	94 Å²	94	59.4 Å²	59.4	61%	0.61	33%	0.326	S	S	*	.	H	α-helix	trans	-60.7	-28.9	-174.5	24.3	-34.1	0	0	0	113.3	S756 S762	S756-P758 WeakPolarHBondContact O-CD 3.18Å; P758-S762 WeakPolarHBondContact O-CB 3.4Å; P758-S762 PolarHBondContact O-N 3.16Å; P758-S762 VanDerWaalsContact O-N 3.15Å
759	A	85.6	Confident	86.7	Confident	61 Å²	61	55.4 Å²	55.4	50%	0.504	31%	0.307	S	S	.	.	H	α-helix	trans	-70.1	-47.6	177.8	0	0	0	0	0	111.1	D757 S762 I763	D757-A759 PolarHBondContact O-N 3.3Å; D757-A759 VanDerWaalsContact O-N 3.14Å; D757-A759 PolarHBondContact OD1-N 2.85Å; A759-S762 WeakPolarHBondContact O-CB 3.41Å; A759-S762 PolarHBondContact O-N 3.02Å; A759-I763 WeakPolarHBondContact O-CG1 3.5Å; A759-I763 PolarHBondContact O-N 2.85Å
760	R	87.3	Confident	86.8	Confident	97 Å²	97	47.8 Å²	47.8	37%	0.366	28%	0.278	S	S	.	.	H	α-helix	trans	-68.7	-42.4	177.9	-71.3	177.5	175.8	174.6	-5.5	112.1	D754 D757 S762 I763 I764	D754-R760 WeakPolarHBondContact O-CB 3.27Å; D754-R760 WeakPolarHBondContact OD1-CD 3.42Å; D754-R760 IonicContact OD1-CZ 3.53Å; D754-R760 IonicContact OD1-NE 2.69Å; D754-R760 IonicContact OD1-NH1 3.58Å; D754-R760 PolarHBondContact OD1-NH1 3.36Å; D757-R760 HydrophobicContact CB-CB 4.16Å; D757-R760 HydrophobicContact CB-CG 4.35Å; D757-R760 PolarHBondContact O-N 3.14Å; D757-R760 VanDerWaalsContact O-N 3.16Å; D757-R760 WeakPolarHBondContact OD2-CD 3.48Å; D757-R760 WeakPolarHBondContact OD2-CG 3.39Å; D757-R760 IonicContact OD2-NE 3.48Å; R760-S762 VanDerWaalsContact C-N 3.25Å; R760-S762 PolarHBondContact O-N 2.88Å; R760-I763 WeakPolarHBondContact O-CB 3.31Å; R760-I763 PolarHBondContact O-N 3.19Å; R760-I764 WeakPolarHBondContact O-CD1 3.2Å; R760-I764 VanDerWaalsContact O-CG1 3.31Å; R760-I764 WeakPolarHBondContact O-CG1 3.29Å; R760-I764 PolarHBondContact O-N 2.88Å
761	Q	89.5	Confident	87	Confident	49 Å²	49	47.2 Å²	47.2	23%	0.229	28%	0.275	C	S	.	.	H	α-helix	trans	-54.5	-43.6	174.1	-166.7	-168.2	28.8	0	0	111.3	D757 I763 I764 I765 I805	D757-Q761 WeakPolarHBondContact O-CB 3.42Å; D757-Q761 PolarHBondContact O-N 2.96Å; Q761-I763 PolarHBondContact O-N 2.9Å; Q761-I764 PolarHBondContact O-N 3.4Å; Q761-I765 HydrophobicContact CG-CD1 3.99Å; Q761-I765 WeakPolarHBondContact O-CB 3.28Å; Q761-I765 VanDerWaalsContact O-CG1 3.29Å; Q761-I765 WeakPolarHBondContact O-CG1 3.35Å; Q761-I765 PolarHBondContact O-N 3.06Å; Q761-I805 HydrophobicContact CG-CG2 4.39Å; Q761-I805 PolarHBondContact NE2-O 2.69Å
762	S	88.2	Confident	87.2	Confident	60 Å²	60	46.1 Å²	46.1	42%	0.42	27%	0.265	S	S	.	.	H	α-helix	trans	-60.3	-43.7	176.5	-171	0	0	0	0	112.2	P758 A759 R760 I765 I766	P758-S762 WeakPolarHBondContact O-CB 3.4Å; P758-S762 PolarHBondContact O-N 3.16Å; P758-S762 VanDerWaalsContact O-N 3.15Å; A759-S762 WeakPolarHBondContact O-CB 3.41Å; A759-S762 PolarHBondContact O-N 3.02Å; R760-S762 VanDerWaalsContact C-N 3.25Å; R760-S762 PolarHBondContact O-N 2.88Å; S762-I765 PolarHBondContact O-N 3.1Å; S762-I766 WeakPolarHBondContact O-CD1 3.15Å; S762-I766 WeakPolarHBondContact O-CG1 3.26Å; S762-I766 PolarHBondContact O-N 3.38Å
763	I	88.2	Confident	87.5	Confident	27 Å²	27	47 Å²	47	14%	0.138	26%	0.259	C	S	.	.	H	α-helix	trans	-63.4	-46	178.4	-62.6	162.9	0	0	0	110.6	W666 T668 T703 A759 R760 Q761 I765 I766 N767	W666-I763 VanDerWaalsContact O-CD1 3.31Å; W666-I763 WeakPolarHBondContact O-CD1 3.25Å; T668-I763 HydrophobicContact CG2-CB 4.48Å; T668-I763 HydrophobicContact CG2-CD1 3.68Å; T668-I763 HydrophobicContact CG2-CG1 3.64Å; T668-I763 HydrophobicContact CG2-CG2 4.02Å; T703-I763 HydrophobicContact CG2-CG2 3.84Å; A759-I763 WeakPolarHBondContact O-CG1 3.5Å; A759-I763 PolarHBondContact O-N 2.85Å; R760-I763 WeakPolarHBondContact O-CB 3.31Å; R760-I763 PolarHBondContact O-N 3.19Å; Q761-I763 PolarHBondContact O-N 2.9Å; I763-I765 PolarHBondContact O-N 3.22Å; I763-I766 PolarHBondContact O-N 3.43Å; I763-N767 PolarHBondContact O-N 3.49Å; I763-N767 PolarHBondContact O-ND2 3.32Å
764	I	89.3	Confident	87.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57.8	-49.5	177.5	-65.8	158.8	0	0	0	110.2	W666 F747 V750 D754 R760 Q761 I766 N767 L768 I805	W666-I764 HydrophobicContact CD2-CD1 4.13Å; W666-I764 HydrophobicContact CD2-CG1 3.51Å; W666-I764 HydrophobicContact CE3-CB 4.39Å; W666-I764 HydrophobicContact CE3-CG1 3.43Å; W666-I764 VanDerWaalsContact CE3-CG1 3.43Å; W666-I764 HydrophobicContact CG-CD1 4.34Å; W666-I764 HydrophobicContact CG-CG1 4.08Å; W666-I764 HydrophobicContact CH2-CG1 4.19Å; W666-I764 HydrophobicContact CZ2-CG1 4.28Å; W666-I764 HydrophobicContact CZ3-CB 4.37Å; W666-I764 HydrophobicContact CZ3-CG1 3.78Å; F747-I764 HydrophobicContact CD1-CG2 3.8Å; F747-I764 HydrophobicContact CE1-CG2 4.05Å; V750-I764 HydrophobicContact CG1-CD1 3.7Å; D754-I764 HydrophobicContact CB-CD1 4.49Å; R760-I764 WeakPolarHBondContact O-CD1 3.2Å; R760-I764 VanDerWaalsContact O-CG1 3.31Å; R760-I764 WeakPolarHBondContact O-CG1 3.29Å; R760-I764 PolarHBondContact O-N 2.88Å; Q761-I764 PolarHBondContact O-N 3.4Å; I764-I766 PolarHBondContact O-N 2.89Å; I764-N767 PolarHBondContact O-N 3.15Å; I764-L768 WeakPolarHBondContact O-CB 3.37Å; I764-L768 PolarHBondContact O-N 2.77Å; I764-I805 HydrophobicContact CG2-CD1 4.07Å; I764-I805 HydrophobicContact CG2-CG2 4.21Å
765	I	89.5	Confident	87.9	Confident	28 Å²	28	40 Å²	40	14%	0.144	22%	0.224	C	C	.	.	H	α-helix	trans	-58.8	-45.7	178.3	-72.8	166.5	0	0	0	111.1	Q761 S762 I763 N767 L768 E769 L802 I805 K806	Q761-I765 HydrophobicContact CG-CD1 3.99Å; Q761-I765 WeakPolarHBondContact O-CB 3.28Å; Q761-I765 VanDerWaalsContact O-CG1 3.29Å; Q761-I765 WeakPolarHBondContact O-CG1 3.35Å; Q761-I765 PolarHBondContact O-N 3.06Å; S762-I765 PolarHBondContact O-N 3.1Å; I763-I765 PolarHBondContact O-N 3.22Å; I765-N767 PolarHBondContact O-N 3.39Å; I765-L768 PolarHBondContact O-N 3.25Å; I765-E769 HydrophobicContact CG2-CG 4.31Å; I765-E769 WeakPolarHBondContact O-CB 3.39Å; I765-E769 WeakPolarHBondContact O-CG 3.5Å; I765-E769 PolarHBondContact O-N 3.33Å; I765-L802 HydrophobicContact CG2-CD1 4.1Å; I765-I805 HydrophobicContact CG1-CG2 3.99Å; I765-K806 HydrophobicContact CD1-CG 3.78Å; I765-K806 HydrophobicContact CG1-CG 4.19Å
766	I	89.4	Confident	88.1	Confident	31 Å²	31	37.8 Å²	37.8	16%	0.159	21%	0.212	C	C	.	.	H	α-helix	trans	-62.9	-43.1	-178.9	-70.6	163.1	0	0	0	111.2	Y698 K701 S762 I763 I764 E769 F770	Y698-I766 HydrophobicContact CD1-CG2 3.88Å; Y698-I766 HydrophobicContact CE1-CG2 4.3Å; K701-I766 HydrophobicContact CB-CD1 4.34Å; K701-I766 HydrophobicContact CB-CG2 3.99Å; K701-I766 HydrophobicContact CD-CD1 3.84Å; S762-I766 WeakPolarHBondContact O-CD1 3.15Å; S762-I766 WeakPolarHBondContact O-CG1 3.26Å; S762-I766 PolarHBondContact O-N 3.38Å; I763-I766 PolarHBondContact O-N 3.43Å; I764-I766 PolarHBondContact O-N 2.89Å; I766-E769 PolarHBondContact O-N 3.27Å; I766-F770 VanDerWaalsContact O-CB 3.29Å; I766-F770 WeakPolarHBondContact O-CB 3.44Å; I766-F770 PolarHBondContact O-N 3.36Å
767	N	90.7	Very high	88.1	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-67.6	-42.6	179.7	-77.5	-89.3	0	0	0	111.5	K701 L702 T703 T706 F747 I763 I764 I765 F770 L771	K701-N767 PolarHBondContact O-ND2 3.47Å; L702-N767 VanDerWaalsContact CA-OD1 3.28Å; L702-N767 WeakPolarHBondContact CA-OD1 3.42Å; T703-N767 PolarHBondContact N-OD1 3.3Å; T703-N767 PolarHBondContact OG1-OD1 3.05Å; T706-N767 WeakPolarHBondContact CB-OD1 3.3Å; T706-N767 PolarHBondContact OG1-OD1 2.71Å; T706-N767 VanDerWaalsContact OG1-OD1 3.08Å; F747-N767 HydrophobicContact CE1-CB 4.38Å; F747-N767 HydrophobicContact CZ-CB 4.16Å; I763-N767 PolarHBondContact O-N 3.49Å; I763-N767 PolarHBondContact O-ND2 3.32Å; I764-N767 PolarHBondContact O-N 3.15Å; I765-N767 PolarHBondContact O-N 3.39Å; N767-F770 PolarHBondContact O-N 3.44Å; N767-L771 PolarHBondContact O-N 3.42Å
768	L	90.6	Very high	87.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.8	-40.9	176	-175.1	56.2	0	0	0	112	F747 I764 I765 F770 L771 I772 L798 L802 I805	F747-L768 HydrophobicContact CD1-CB 4.2Å; F747-L768 HydrophobicContact CD2-CD1 4.11Å; F747-L768 HydrophobicContact CE1-CB 3.99Å; F747-L768 HydrophobicContact CE2-CD1 4.34Å; F747-L768 HydrophobicContact CG-CD1 4.23Å; F747-L768 HydrophobicContact CZ-CB 4.31Å; I764-L768 WeakPolarHBondContact O-CB 3.37Å; I764-L768 PolarHBondContact O-N 2.77Å; I765-L768 PolarHBondContact O-N 3.25Å; L768-F770 VanDerWaalsContact C-N 3.33Å; L768-F770 PolarHBondContact O-N 3.02Å; L768-L771 HydrophobicContact CD1-CD2 4.35Å; L768-L771 WeakPolarHBondContact O-CB 3.36Å; L768-L771 PolarHBondContact O-N 3.2Å; L768-I772 HydrophobicContact CD1-CD1 4.39Å; L768-I772 HydrophobicContact CG-CD1 4.23Å; L768-I772 VanDerWaalsContact O-CG1 3.32Å; L768-I772 WeakPolarHBondContact O-CG1 3.47Å; L768-I772 PolarHBondContact O-N 3.27Å; L768-I772 VanDerWaalsContact O-N 3.07Å; L768-L798 HydrophobicContact CD1-CD2 3.62Å; L768-L802 HydrophobicContact CB-CD1 4.34Å; L768-L802 HydrophobicContact CD2-CB 3.74Å; L768-L802 HydrophobicContact CD2-CD1 3.97Å; L768-L802 HydrophobicContact CD2-CG 4.48Å; L768-L802 HydrophobicContact CG-CB 4.23Å; L768-L802 HydrophobicContact CG-CD1 4.18Å; L768-I805 HydrophobicContact CD2-CD1 4Å
769	E	90	Very high	87.9	Confident	33 Å²	33	32.6 Å²	32.6	15%	0.154	17%	0.172	C	C	.	.	H	α-helix	trans	-62.7	-40.1	172.9	-78.9	-165.6	-174.8	0	0	112.2	I765 I766 L771 I772 K773 L802 K806	I765-E769 HydrophobicContact CG2-CG 4.31Å; I765-E769 WeakPolarHBondContact O-CB 3.39Å; I765-E769 WeakPolarHBondContact O-CG 3.5Å; I765-E769 PolarHBondContact O-N 3.33Å; I766-E769 PolarHBondContact O-N 3.27Å; E769-L771 VanDerWaalsContact C-N 3.35Å; E769-I772 PolarHBondContact O-N 3.5Å; E769-K773 VanDerWaalsContact O-CB 3.25Å; E769-K773 WeakPolarHBondContact O-CB 3.45Å; E769-K773 WeakPolarHBondContact O-CG 3.35Å; E769-K773 PolarHBondContact O-N 3.39Å; E769-K773 IonicContact OE2-NZ 2.73Å; E769-K773 PolarHBondContact OE2-NZ 3.05Å; E769-L802 HydrophobicContact CG-CD1 3.9Å; E769-L802 HydrophobicContact CG-CD2 3.74Å; E769-L802 HydrophobicContact CG-CG 4.49Å; E769-K806 WeakPolarHBondContact OE1-CE 3.45Å; E769-K806 IonicContact OE1-NZ 3.61Å; E769-K806 PolarHBondContact OE1-NZ 2.94Å
770	F	89	Confident	87.8	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.1	-38.4	176.9	-171	-102.8	0	0	0	111.9	I689 L690 Y698 L702 T706 I710 I766 N767 L768 S774 I775	I689-F770 HydrophobicContact CG2-CE1 3.89Å; I689-F770 HydrophobicContact CG2-CZ 3.67Å; L690-F770 HydrophobicContact CD2-CE2 3.73Å; L690-F770 HydrophobicContact CD2-CZ 3.84Å; L690-F770 HydrophobicContact CG-CZ 4.34Å; Y698-F770 HydrophobicContact CD1-CB 4.02Å; Y698-F770 AromaticContact CD1-CD2 3.53Å; Y698-F770 HydrophobicContact CD1-CD2 3.53Å; Y698-F770 HydrophobicContact CD1-CE2 4.4Å; Y698-F770 HydrophobicContact CD1-CG 4.18Å; Y698-F770 HydrophobicContact CD2-CD2 4.03Å; Y698-F770 HydrophobicContact CD2-CE2 4.26Å; Y698-F770 HydrophobicContact CE1-CB 4.21Å; Y698-F770 HydrophobicContact CE1-CD2 4.06Å; Y698-F770 AromaticContact CG-CD2 3.52Å; Y698-F770 HydrophobicContact CG-CD2 3.52Å; Y698-F770 AromaticContact CG-CE2 3.94Å; Y698-F770 HydrophobicContact CG-CE2 3.94Å; L702-F770 HydrophobicContact CD1-CD1 3.94Å; L702-F770 HydrophobicContact CD1-CE1 3.64Å; L702-F770 HydrophobicContact CD1-CE2 4.46Å; L702-F770 HydrophobicContact CD1-CG 4.45Å; L702-F770 HydrophobicContact CD1-CZ 3.91Å; L702-F770 HydrophobicContact CD2-CB 3.79Å; L702-F770 HydrophobicContact CD2-CD1 3.67Å; L702-F770 HydrophobicContact CD2-CD2 4.21Å; L702-F770 HydrophobicContact CD2-CE1 4.25Å; L702-F770 HydrophobicContact CD2-CG 3.63Å; L702-F770 HydrophobicContact CG-CD1 4.48Å; T706-F770 HydrophobicContact CG2-CD1 4.35Å; I710-F770 HydrophobicContact CD1-CE1 3.88Å; I766-F770 VanDerWaalsContact O-CB 3.29Å; I766-F770 WeakPolarHBondContact O-CB 3.44Å; I766-F770 PolarHBondContact O-N 3.36Å; N767-F770 PolarHBondContact O-N 3.44Å; L768-F770 VanDerWaalsContact C-N 3.33Å; L768-F770 PolarHBondContact O-N 3.02Å; F770-S774 WeakPolarHBondContact CD2-OG 3.44Å; F770-S774 WeakPolarHBondContact CE2-OG 3.36Å; F770-S774 WeakPolarHBondContact O-CA 3.31Å; F770-S774 VanDerWaalsContact O-CB 3.26Å; F770-S774 WeakPolarHBondContact O-CB 3.36Å; F770-S774 PolarHBondContact O-N 2.92Å; F770-I775 HydrophobicContact CD1-CD1 3.89Å; F770-I775 HydrophobicContact CD1-CG1 3.98Å; F770-I775 HydrophobicContact CE1-CD1 4.12Å; F770-I775 HydrophobicContact CE1-CG1 3.96Å; F770-I775 PolarHBondContact O-N 3.19Å
771	L	88.7	Confident	87.5	Confident	3 Å²	3	31.4 Å²	31.4	2%	0.016	16%	0.16	C	C	.	.	I	π-helix	trans	-56.9	-50.4	172.4	-169.6	63.9	0	0	0	110.8	L709 L740 E743 F747 N767 L768 E769 I775 V776 L798	L709-L771 HydrophobicContact CD2-CD1 3.96Å; L740-L771 HydrophobicContact CD2-CD1 3.64Å; L740-L771 HydrophobicContact CD2-CG 4.46Å; E743-L771 HydrophobicContact CG-CD2 4.26Å; F747-L771 HydrophobicContact CE2-CD2 4.23Å; N767-L771 PolarHBondContact O-N 3.42Å; L768-L771 HydrophobicContact CD1-CD2 4.35Å; L768-L771 WeakPolarHBondContact O-CB 3.36Å; L768-L771 PolarHBondContact O-N 3.2Å; E769-L771 VanDerWaalsContact C-N 3.35Å; L771-I775 HydrophobicContact CD1-CB 3.98Å; L771-I775 HydrophobicContact CD1-CD1 3.67Å; L771-I775 HydrophobicContact CD1-CG1 4.38Å; L771-I775 HydrophobicContact CD1-CG2 3.95Å; L771-I775 PolarHBondContact O-N 2.94Å; L771-V776 WeakPolarHBondContact O-CG2 3.47Å; L771-V776 PolarHBondContact O-N 3.3Å; L771-L798 HydrophobicContact CD2-CD2 3.69Å
772	I	88.2	Confident	87	Confident	20 Å²	20	33.6 Å²	33.6	10%	0.103	17%	0.173	C	C	.	.	I	π-helix	trans	-69.2	-44.6	-178.2	-64.4	163.6	0	0	0	112.5	L768 E769 P777 L798 K799 L802	L768-I772 HydrophobicContact CD1-CD1 4.39Å; L768-I772 HydrophobicContact CG-CD1 4.23Å; L768-I772 VanDerWaalsContact O-CG1 3.32Å; L768-I772 WeakPolarHBondContact O-CG1 3.47Å; L768-I772 PolarHBondContact O-N 3.27Å; L768-I772 VanDerWaalsContact O-N 3.07Å; E769-I772 PolarHBondContact O-N 3.5Å; I772-P777 VanDerWaalsContact O-CD 3.23Å; I772-P777 WeakPolarHBondContact O-CD 3.47Å; I772-P777 WeakPolarHBondContact O-CG 3.43Å; I772-L798 HydrophobicContact CD1-CB 3.86Å; I772-L798 HydrophobicContact CG1-CB 3.68Å; I772-L798 HydrophobicContact CG1-CD1 4.24Å; I772-L798 HydrophobicContact CG1-CG 4.45Å; I772-K799 HydrophobicContact CD1-CG 4.37Å; I772-K799 HydrophobicContact CG2-CG 4.43Å; I772-L802 HydrophobicContact CD1-CB 4.28Å; I772-L802 HydrophobicContact CD1-CD2 4Å
773	K	87	Confident	86.5	Confident	118 Å²	118	32 Å²	32	51%	0.513	16%	0.159	S	C	.	.	I	π-helix	trans	-87.4	-30.2	-170.9	-67.3	173.6	179.6	167.8	0	113.3	E769	E769-K773 VanDerWaalsContact O-CB 3.25Å; E769-K773 WeakPolarHBondContact O-CB 3.45Å; E769-K773 WeakPolarHBondContact O-CG 3.35Å; E769-K773 PolarHBondContact O-N 3.39Å; E769-K773 IonicContact OE2-NZ 2.73Å; E769-K773 PolarHBondContact OE2-NZ 3.05Å
774	S	87	Confident	85.9	Confident	12 Å²	12	37.8 Å²	37.8	8%	0.084	19%	0.19	C	C	.	.	I	π-helix	trans	-114.8	-54.1	-172.2	-59.9	0	0	0	0	112.7	F770 K778	F770-S774 WeakPolarHBondContact CD2-OG 3.44Å; F770-S774 WeakPolarHBondContact CE2-OG 3.36Å; F770-S774 WeakPolarHBondContact O-CA 3.31Å; F770-S774 VanDerWaalsContact O-CB 3.26Å; F770-S774 WeakPolarHBondContact O-CB 3.36Å; F770-S774 PolarHBondContact O-N 2.92Å; S774-K778 VanDerWaalsContact O-CB 3.26Å; S774-K778 WeakPolarHBondContact O-CB 3.47Å; S774-K778 WeakPolarHBondContact O-CD 3.45Å; S774-K778 WeakPolarHBondContact O-CG 3.33Å; S774-K778 PolarHBondContact O-N 2.96Å
775	I	87.1	Confident	85.2	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.194	C	C	.	.	I	π-helix	trans	-72.4	-57.7	-170.7	-60.2	175.6	0	0	0	110.2	I689 T706 I710 F770 L771 K778 F779	I689-I775 HydrophobicContact CG2-CG1 4.47Å; T706-I775 HydrophobicContact CG2-CD1 4.03Å; I710-I775 HydrophobicContact CD1-CD1 3.71Å; I710-I775 HydrophobicContact CD1-CG1 4.16Å; I710-I775 HydrophobicContact CG1-CD1 3.49Å; I710-I775 VanDerWaalsContact CG1-CD1 3.49Å; I710-I775 HydrophobicContact CG1-CG1 3.97Å; F770-I775 HydrophobicContact CD1-CD1 3.89Å; F770-I775 HydrophobicContact CD1-CG1 3.98Å; F770-I775 HydrophobicContact CE1-CD1 4.12Å; F770-I775 HydrophobicContact CE1-CG1 3.96Å; F770-I775 PolarHBondContact O-N 3.19Å; L771-I775 HydrophobicContact CD1-CB 3.98Å; L771-I775 HydrophobicContact CD1-CD1 3.67Å; L771-I775 HydrophobicContact CD1-CG1 4.38Å; L771-I775 HydrophobicContact CD1-CG2 3.95Å; L771-I775 PolarHBondContact O-N 2.94Å; I775-K778 PolarHBondContact O-N 3.36Å; I775-F779 HydrophobicContact CB-CD2 4.49Å; I775-F779 HydrophobicContact CG2-CD2 3.58Å; I775-F779 HydrophobicContact CG2-CE2 3.86Å; I775-F779 WeakPolarHBondContact O-CD2 3.39Å; I775-F779 PolarHBondContact O-N 2.73Å
776	V	88	Confident	84.3	Confident	3 Å²	3	40.5 Å²	40.5	2%	0.018	21%	0.212	C	C	.	.	H	α-helix	trans	-56.1	-50.6	-176.3	175.9	0	0	0	0	111.9	L740 L771 K778 S780 I791 V795 L798	L740-V776 HydrophobicContact CD1-CG2 3.82Å; L771-V776 WeakPolarHBondContact O-CG2 3.47Å; L771-V776 PolarHBondContact O-N 3.3Å; V776-K778 PolarHBondContact O-N 3.19Å; V776-S780 WeakPolarHBondContact O-CB 3.29Å; V776-S780 PolarHBondContact O-N 3.43Å; V776-S780 PolarHBondContact O-OG 3.24Å; V776-I791 HydrophobicContact CG1-CG2 4.23Å; V776-V795 HydrophobicContact CG1-CG2 3.7Å; V776-L798 HydrophobicContact CG2-CD1 4.07Å
777	P	85.6	Confident	83.5	Confident	67 Å²	67	47.3 Å²	47.3	44%	0.435	24%	0.243	S	C	.	.	H	α-helix	trans	-66.7	-40.3	-177.4	-22.9	36.6	0	0	0	112.9	I772 H781	I772-P777 VanDerWaalsContact O-CD 3.23Å; I772-P777 WeakPolarHBondContact O-CD 3.47Å; I772-P777 WeakPolarHBondContact O-CG 3.43Å; P777-H781 WeakPolarHBondContact O-CB 3.47Å; P777-H781 PolarHBondContact O-N 3.27Å
778	K	83.2	Confident	82.9	Confident	66 Å²	66	49.8 Å²	49.8	29%	0.287	26%	0.256	S	S	.	.	H	α-helix	trans	-67.8	-48.5	-178.3	-72.5	179.7	-177.1	-171.7	0	111.7	G688 I689 S774 I775 V776 H781 I782	G688-K778 WeakPolarHBondContact O-CE 3.38Å; G688-K778 PolarHBondContact O-NZ 2.71Å; I689-K778 VanDerWaalsContact CA-NZ 3.35Å; I689-K778 HydrophobicContact CB-CD 4.46Å; I689-K778 HydrophobicContact CG1-CD 4.38Å; I689-K778 PolarHBondContact O-NZ 3.18Å; S774-K778 VanDerWaalsContact O-CB 3.26Å; S774-K778 WeakPolarHBondContact O-CB 3.47Å; S774-K778 WeakPolarHBondContact O-CD 3.45Å; S774-K778 WeakPolarHBondContact O-CG 3.33Å; S774-K778 PolarHBondContact O-N 2.96Å; I775-K778 PolarHBondContact O-N 3.36Å; V776-K778 PolarHBondContact O-N 3.19Å; K778-H781 PolarHBondContact O-N 3.47Å; K778-I782 VanDerWaalsContact O-CG1 3.3Å; K778-I782 WeakPolarHBondContact O-CG1 3.28Å; K778-I782 PolarHBondContact O-N 3.14Å
779	F	83.6	Confident	82.5	Confident	9 Å²	9	53.8 Å²	53.8	4%	0.039	28%	0.284	C	S	.	.	H	α-helix	trans	-68.2	-38.8	177.6	-76.3	-69.9	0	0	0	111.5	I689 L713 R714 I717 F736 I775 H781 I782 L783	I689-F779 HydrophobicContact CD1-CE2 3.7Å; I689-F779 HydrophobicContact CD1-CZ 3.85Å; L713-F779 HydrophobicContact CB-CE1 4.41Å; L713-F779 HydrophobicContact CB-CZ 4.21Å; R714-F779 HydrophobicContact CB-CE1 4.42Å; R714-F779 HydrophobicContact CB-CZ 4.35Å; I717-F779 HydrophobicContact CD1-CD1 3.23Å; I717-F779 HydrophobicContact CD1-CE1 3.61Å; I717-F779 HydrophobicContact CD1-CG 4.23Å; F736-F779 HydrophobicContact CD2-CB 4.28Å; F736-F779 HydrophobicContact CE2-CB 3.39Å; F736-F779 HydrophobicContact CE2-CD2 4.4Å; F736-F779 HydrophobicContact CE2-CG 4.04Å; F736-F779 HydrophobicContact CZ-CB 3.54Å; I775-F779 HydrophobicContact CB-CD2 4.49Å; I775-F779 HydrophobicContact CG2-CD2 3.58Å; I775-F779 HydrophobicContact CG2-CE2 3.86Å; I775-F779 WeakPolarHBondContact O-CD2 3.39Å; I775-F779 PolarHBondContact O-N 2.73Å; F779-H781 VanDerWaalsContact C-N 3.26Å; F779-H781 PolarHBondContact O-N 3.07Å; F779-I782 HydrophobicContact CD1-CD1 4.23Å; F779-I782 PolarHBondContact O-N 3.3Å; F779-I782 VanDerWaalsContact O-N 3.11Å; F779-L783 WeakPolarHBondContact O-CB 3.46Å; F779-L783 WeakPolarHBondContact O-CG 3.22Å; F779-L783 PolarHBondContact O-N 3.15Å
780	S	83.5	Confident	82.2	Confident	4 Å²	4	54.9 Å²	54.9	3%	0.028	29%	0.293	C	S	.	.	H	α-helix	trans	-61.5	-35.2	175.2	-57.1	0	0	0	0	112.6	V776 N784 C785	V776-S780 WeakPolarHBondContact O-CB 3.29Å; V776-S780 PolarHBondContact O-N 3.43Å; V776-S780 PolarHBondContact O-OG 3.24Å; S780-N784 PolarHBondContact O-N 3.28Å; S780-C785 PolarHBondContact O-N 2.95Å
781	H	81	Confident	81.9	Confident	129 Å²	129	55.1 Å²	55.1	60%	0.597	29%	0.294	S	S	*	.	H	α-helix	trans	-69.6	-42	173	178.7	-75.2	0	0	0	112.1	P777 K778 F779 L783 N784	P777-H781 WeakPolarHBondContact O-CB 3.47Å; P777-H781 PolarHBondContact O-N 3.27Å; K778-H781 PolarHBondContact O-N 3.47Å; F779-H781 VanDerWaalsContact C-N 3.26Å; F779-H781 PolarHBondContact O-N 3.07Å; H781-L783 PolarHBondContact O-N 3.41Å; H781-N784 PolarHBondContact O-N 2.85Å; H781-N784 PolarHBondContact O-OD1 3.06Å
782	I	79.5	Confident	81.7	Confident	96 Å²	96	60.8 Å²	60.8	49%	0.492	32%	0.321	S	S	.	.	H	α-helix	trans	-61.2	-37.3	175.8	-68.3	164.2	0	0	0	110.9	I717 K778 F779	I717-I782 HydrophobicContact CG2-CG2 4.01Å; K778-I782 VanDerWaalsContact O-CG1 3.3Å; K778-I782 WeakPolarHBondContact O-CG1 3.28Å; K778-I782 PolarHBondContact O-N 3.14Å; F779-I782 HydrophobicContact CD1-CD1 4.23Å; F779-I782 PolarHBondContact O-N 3.3Å; F779-I782 VanDerWaalsContact O-N 3.11Å
783	L	76.9	Confident	81.7	Confident	27 Å²	27	65.5 Å²	65.5	14%	0.141	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-3.9	-179.5	-64.6	-175.9	0	0	0	114	I717 L732 F736 F779 H781 C785	I717-L783 HydrophobicContact CD1-CD1 4.44Å; I717-L783 HydrophobicContact CD1-CD2 4.15Å; I717-L783 HydrophobicContact CD1-CG 4.39Å; I717-L783 HydrophobicContact CG1-CD2 4.12Å; I717-L783 HydrophobicContact CG2-CD2 4.31Å; L732-L783 HydrophobicContact CD1-CD2 3.89Å; L732-L783 HydrophobicContact CD2-CD2 3.18Å; L732-L783 HydrophobicContact CG-CD1 4.4Å; L732-L783 HydrophobicContact CG-CD2 3.4Å; L732-L783 VanDerWaalsContact CG-CD2 3.4Å; F736-L783 HydrophobicContact CB-CD1 3.82Å; F736-L783 HydrophobicContact CD1-CD1 3.93Å; F736-L783 HydrophobicContact CD2-CD1 4.22Å; F736-L783 HydrophobicContact CG-CD1 3.73Å; F779-L783 WeakPolarHBondContact O-CB 3.46Å; F779-L783 WeakPolarHBondContact O-CG 3.22Å; F779-L783 PolarHBondContact O-N 3.15Å; H781-L783 PolarHBondContact O-N 3.41Å; L783-C785 HydrophobicContact CB-CB 4.33Å; L783-C785 WeakPolarHBondContact CB-SG 3.48Å; L783-C785 PolarHBondContact O-N 3.16Å
784	N	75.5	Confident	81.7	Confident	147 Å²	147	60 Å²	60	79%	0.786	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	35.1	-172	-63.3	-39.5	0	0	0	113.9	S780 H781	S780-N784 PolarHBondContact O-N 3.28Å; H781-N784 PolarHBondContact O-N 2.85Å; H781-N784 PolarHBondContact O-OD1 3.06Å
785	C	75.5	Confident	81.8	Confident	10 Å²	10	60.9 Å²	60.9	7%	0.068	32%	0.323	C	S	.	.			trans	-116.2	16.3	-174.9	62.8	0	0	0	0	113.6	T733 S780 L783 E787 N788 I791	T733-C785 HydrophobicContact CG2-CB 4.02Å; S780-C785 PolarHBondContact O-N 2.95Å; L783-C785 HydrophobicContact CB-CB 4.33Å; L783-C785 WeakPolarHBondContact CB-SG 3.48Å; L783-C785 PolarHBondContact O-N 3.16Å; C785-E787 PolarHBondContact O-N 2.97Å; C785-E787 VanDerWaalsContact O-N 3.12Å; C785-N788 HydrophobicContact CB-CB 4.41Å; C785-N788 WeakPolarHBondContact O-CB 3.41Å; C785-N788 PolarHBondContact O-N 3.4Å; C785-I791 HydrophobicContact CB-CD1 3.78Å; C785-I791 WeakPolarHBondContact O-CD1 3.29Å; C785-I791 WeakPolarHBondContact SG-CD1 3.32Å
786	S	70.7	Confident	81.9	Confident	75 Å²	75	63.8 Å²	63.8	52%	0.524	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-28.5	-180	51.7	0	0	0	0	114.5	N788	S786-N788 VanDerWaalsContact C-N 3.34Å
787	E	71.4	Confident	82	Confident	175 Å²	175	66.6 Å²	66.6	82%	0.818	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-2	179.1	-62.3	-175.6	175.5	0	0	113.4	C785 S789	C785-E787 PolarHBondContact O-N 2.97Å; C785-E787 VanDerWaalsContact O-N 3.12Å; E787-S789 PolarHBondContact O-N 3.43Å
788	N	78.6	Confident	82.2	Confident	52 Å²	52	63.4 Å²	63.4	28%	0.278	34%	0.338	S	S	.	.			trans	-70	126.2	-178.4	-166.1	-37.5	0	0	0	110.6	C785 S786 T790 I791 Q792	C785-N788 HydrophobicContact CB-CB 4.41Å; C785-N788 WeakPolarHBondContact O-CB 3.41Å; C785-N788 PolarHBondContact O-N 3.4Å; S786-N788 VanDerWaalsContact C-N 3.34Å; N788-T790 VanDerWaalsContact CG-OG1 3.22Å; N788-T790 PolarHBondContact O-N 2.99Å; N788-T790 PolarHBondContact OD1-N 3.32Å; N788-T790 PolarHBondContact OD1-OG1 3.46Å; N788-I791 HydrophobicContact CB-CD1 4.26Å; N788-I791 HydrophobicContact CB-CG1 4.45Å; N788-I791 PolarHBondContact O-N 3.08Å; N788-Q792 PolarHBondContact O-N 3.46Å; N788-Q792 VanDerWaalsContact O-N 3.14Å
789	S	83.3	Confident	82.6	Confident	83 Å²	83	65.5 Å²	65.5	58%	0.58	35%	0.347	S	S	*	.	H	α-helix	trans	-55.7	-34.4	179.8	56.7	0	0	0	0	112.8	E787 I791 Q792 Q793	E787-S789 PolarHBondContact O-N 3.43Å; S789-I791 VanDerWaalsContact C-N 3.33Å; S789-I791 PolarHBondContact O-N 2.96Å; S789-Q792 PolarHBondContact O-N 2.96Å; S789-Q793 WeakPolarHBondContact O-CB 3.33Å; S789-Q793 PolarHBondContact O-N 3.37Å
790	T	82.9	Confident	82.9	Confident	56 Å²	56	67.6 Å²	67.6	34%	0.344	37%	0.366	S	S	.	.	H	α-helix	trans	-66	-34.4	177.5	55.6	0	0	0	0	112.8	N788 L794	N788-T790 VanDerWaalsContact CG-OG1 3.22Å; N788-T790 PolarHBondContact O-N 2.99Å; N788-T790 PolarHBondContact OD1-N 3.32Å; N788-T790 PolarHBondContact OD1-OG1 3.46Å; T790-L794 WeakPolarHBondContact O-CB 3.33Å; T790-L794 PolarHBondContact O-N 3.36Å
791	I	82.7	Confident	83.1	Confident	5 Å²	5	67.8 Å²	67.8	3%	0.026	37%	0.367	C	S	.	.	H	α-helix	trans	-75.5	-37.8	176.5	-70.5	170.9	0	0	0	110.3	T733 F736 V737 V776 C785 N788 S789 Q793 L794 V795	T733-I791 HydrophobicContact CG2-CD1 4.4Å; F736-I791 HydrophobicContact CD1-CD1 4.27Å; F736-I791 HydrophobicContact CE1-CD1 4.31Å; V737-I791 HydrophobicContact CG2-CD1 4.37Å; V737-I791 HydrophobicContact CG2-CG1 3.68Å; V776-I791 HydrophobicContact CG1-CG2 4.23Å; C785-I791 HydrophobicContact CB-CD1 3.78Å; C785-I791 WeakPolarHBondContact O-CD1 3.29Å; C785-I791 WeakPolarHBondContact SG-CD1 3.32Å; N788-I791 HydrophobicContact CB-CD1 4.26Å; N788-I791 HydrophobicContact CB-CG1 4.45Å; N788-I791 PolarHBondContact O-N 3.08Å; S789-I791 VanDerWaalsContact C-N 3.33Å; S789-I791 PolarHBondContact O-N 2.96Å; I791-Q793 VanDerWaalsContact C-N 3.29Å; I791-Q793 PolarHBondContact O-N 2.9Å; I791-L794 PolarHBondContact O-N 3.3Å; I791-V795 HydrophobicContact CG2-CG2 4.42Å; I791-V795 VanDerWaalsContact O-CG2 3.29Å; I791-V795 WeakPolarHBondContact O-CG2 3.32Å; I791-V795 PolarHBondContact O-N 3.46Å
792	Q	85	Confident	83.5	Confident	122 Å²	122	62.7 Å²	62.7	57%	0.57	34%	0.344	S	S	*	.	H	α-helix	trans	-60.8	-41.8	173.1	-66.1	-177.7	-9.6	0	0	111.4	N788 S789 V795 S796	N788-Q792 PolarHBondContact O-N 3.46Å; N788-Q792 VanDerWaalsContact O-N 3.14Å; S789-Q792 PolarHBondContact O-N 2.96Å; Q792-V795 PolarHBondContact O-N 2.97Å; Q792-S796 PolarHBondContact O-N 2.89Å; Q792-S796 PolarHBondContact O-OG 2.83Å
793	Q	88.2	Confident	83.9	Confident	120 Å²	120	63.6 Å²	63.6	56%	0.561	35%	0.346	S	S	*	.	H	α-helix	trans	-64.8	-42.5	174.5	-173.4	178	3.5	0	0	112.4	S789 I791 V795 S796 N797	S789-Q793 WeakPolarHBondContact O-CB 3.33Å; S789-Q793 PolarHBondContact O-N 3.37Å; I791-Q793 VanDerWaalsContact C-N 3.29Å; I791-Q793 PolarHBondContact O-N 2.9Å; Q793-V795 VanDerWaalsContact C-N 3.34Å; Q793-V795 PolarHBondContact O-N 2.95Å; Q793-S796 WeakPolarHBondContact CA-OG 3.3Å; Q793-S796 PolarHBondContact O-N 3.33Å; Q793-S796 PolarHBondContact O-OG 2.89Å; Q793-N797 PolarHBondContact O-N 3.31Å; Q793-N797 PolarHBondContact O-OD1 3.29Å
794	L	87.6	Confident	84.4	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.005	37%	0.371	C	S	.	.	H	α-helix	trans	-60	-44.6	174	172.4	68.6	0	0	0	111.4	L740 N741 T790 I791 S796 N797 L798	L740-L794 HydrophobicContact CB-CD1 4.17Å; L740-L794 HydrophobicContact CB-CD2 3.65Å; L740-L794 HydrophobicContact CD1-CD2 3.64Å; L740-L794 HydrophobicContact CG-CD2 4.33Å; N741-L794 WeakPolarHBondContact OD1-CD1 3.25Å; T790-L794 WeakPolarHBondContact O-CB 3.33Å; T790-L794 PolarHBondContact O-N 3.36Å; I791-L794 PolarHBondContact O-N 3.3Å; L794-S796 VanDerWaalsContact C-N 3.33Å; L794-S796 PolarHBondContact O-N 3.47Å; L794-N797 PolarHBondContact O-N 3.11Å; L794-L798 HydrophobicContact CD1-CD1 4.13Å; L794-L798 HydrophobicContact CD1-CG 4.29Å; L794-L798 HydrophobicContact CG-CD1 3.95Å; L794-L798 WeakPolarHBondContact O-CB 3.33Å; L794-L798 WeakPolarHBondContact O-CG 3.39Å; L794-L798 PolarHBondContact O-N 2.88Å
795	V	88.3	Confident	84.7	Confident	32 Å²	32	60.2 Å²	60.2	19%	0.194	34%	0.336	C	S	.	.	H	α-helix	trans	-63.8	-37.9	177.4	171.4	0	0	0	0	111.4	V776 I791 Q792 Q793 K799	V776-V795 HydrophobicContact CG1-CG2 3.7Å; I791-V795 HydrophobicContact CG2-CG2 4.42Å; I791-V795 VanDerWaalsContact O-CG2 3.29Å; I791-V795 WeakPolarHBondContact O-CG2 3.32Å; I791-V795 PolarHBondContact O-N 3.46Å; Q792-V795 PolarHBondContact O-N 2.97Å; Q793-V795 VanDerWaalsContact C-N 3.34Å; Q793-V795 PolarHBondContact O-N 2.95Å; V795-K799 HydrophobicContact CG1-CD 4.19Å; V795-K799 WeakPolarHBondContact O-CB 3.23Å; V795-K799 VanDerWaalsContact O-CG 3.28Å; V795-K799 WeakPolarHBondContact O-CG 3.36Å; V795-K799 PolarHBondContact O-N 3.37Å; V795-K799 VanDerWaalsContact O-N 3.08Å
796	S	89.2	Confident	85.1	Confident	61 Å²	61	63.7 Å²	63.7	43%	0.427	35%	0.349	S	S	.	.	H	α-helix	trans	-65.6	-41.6	174.2	56.7	0	0	0	0	112	Q792 Q793 L794 K799 A800	Q792-S796 PolarHBondContact O-N 2.89Å; Q792-S796 PolarHBondContact O-OG 2.83Å; Q793-S796 WeakPolarHBondContact CA-OG 3.3Å; Q793-S796 PolarHBondContact O-N 3.33Å; Q793-S796 PolarHBondContact O-OG 2.89Å; L794-S796 VanDerWaalsContact C-N 3.33Å; L794-S796 PolarHBondContact O-N 3.47Å; S796-K799 PolarHBondContact O-N 3.48Å; S796-A800 PolarHBondContact O-N 2.83Å
797	N	90.9	Very high	85.1	Confident	61 Å²	61	62.7 Å²	62.7	33%	0.326	35%	0.351	S	S	.	.	H	α-helix	trans	-66	-44.5	179.2	-64	-4.4	0	0	0	111.4	L744 Q793 L794 K799 A800 S801	L744-N797 HydrophobicContact CD2-CB 3.63Å; Q793-N797 PolarHBondContact O-N 3.31Å; Q793-N797 PolarHBondContact O-OD1 3.29Å; L794-N797 PolarHBondContact O-N 3.11Å; N797-K799 VanDerWaalsContact C-N 3.3Å; N797-K799 PolarHBondContact O-N 3.44Å; N797-A800 PolarHBondContact O-N 2.73Å; N797-S801 PolarHBondContact O-N 3.06Å
798	L	89.6	Confident	84.3	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-58.7	-40.9	174.4	-73.9	165.2	0	0	0	112.2	L744 L768 L771 I772 V776 L794 L802	L744-L798 HydrophobicContact CB-CD2 4.01Å; L744-L798 HydrophobicContact CD1-CD2 3.95Å; L744-L798 HydrophobicContact CG-CD2 4.38Å; L768-L798 HydrophobicContact CD1-CD2 3.62Å; L771-L798 HydrophobicContact CD2-CD2 3.69Å; I772-L798 HydrophobicContact CD1-CB 3.86Å; I772-L798 HydrophobicContact CG1-CB 3.68Å; I772-L798 HydrophobicContact CG1-CD1 4.24Å; I772-L798 HydrophobicContact CG1-CG 4.45Å; V776-L798 HydrophobicContact CG2-CD1 4.07Å; L794-L798 HydrophobicContact CD1-CD1 4.13Å; L794-L798 HydrophobicContact CD1-CG 4.29Å; L794-L798 HydrophobicContact CG-CD1 3.95Å; L794-L798 WeakPolarHBondContact O-CB 3.33Å; L794-L798 WeakPolarHBondContact O-CG 3.39Å; L794-L798 PolarHBondContact O-N 2.88Å; L798-L802 WeakPolarHBondContact O-CB 3.45Å; L798-L802 PolarHBondContact O-N 2.94Å
799	K	91	Very high	82.5	Confident	111 Å²	111	66 Å²	66	48%	0.483	37%	0.368	S	S	.	.	H	α-helix	trans	-68	-39	176.4	-75.6	174.9	-179.3	178.5	0	112.5	I772 V795 S796 N797 L802 Q803	I772-K799 HydrophobicContact CD1-CG 4.37Å; I772-K799 HydrophobicContact CG2-CG 4.43Å; V795-K799 HydrophobicContact CG1-CD 4.19Å; V795-K799 WeakPolarHBondContact O-CB 3.23Å; V795-K799 VanDerWaalsContact O-CG 3.28Å; V795-K799 WeakPolarHBondContact O-CG 3.36Å; V795-K799 PolarHBondContact O-N 3.37Å; V795-K799 VanDerWaalsContact O-N 3.08Å; S796-K799 PolarHBondContact O-N 3.48Å; N797-K799 VanDerWaalsContact C-N 3.3Å; N797-K799 PolarHBondContact O-N 3.44Å; K799-L802 PolarHBondContact O-N 3.41Å; K799-Q803 WeakPolarHBondContact O-CG 3.42Å; K799-Q803 PolarHBondContact O-N 3.18Å
800	A	90.2	Very high	80.4	Confident	52 Å²	52	70 Å²	70	43%	0.43	38%	0.378	S	S	.	.	H	α-helix	trans	-64.1	-45.5	175.9	0	0	0	0	0	111.2	S796 N797 L802 Q803 S804	S796-A800 PolarHBondContact O-N 2.83Å; N797-A800 PolarHBondContact O-N 2.73Å; A800-L802 VanDerWaalsContact C-N 3.33Å; A800-L802 PolarHBondContact O-N 3.06Å; A800-Q803 PolarHBondContact O-N 3.27Å; A800-S804 PolarHBondContact O-N 2.94Å
801	S	87.5	Confident	78.2	Confident	9 Å²	9	75.5 Å²	75.5	6%	0.063	40%	0.4	C	S	.	.	H	α-helix	trans	-60.5	-41.7	174.2	-176.3	0	0	0	0	111.8	N797 Q803 S804 I805	N797-S801 PolarHBondContact O-N 3.06Å; S801-Q803 VanDerWaalsContact C-N 3.35Å; S801-Q803 PolarHBondContact O-N 2.94Å; S801-S804 PolarHBondContact O-N 3.3Å; S801-I805 WeakPolarHBondContact O-CG1 3.45Å; S801-I805 PolarHBondContact O-N 3.37Å
802	L	89.3	Confident	76	Confident	21 Å²	21	83 Å²	83	11%	0.11	44%	0.435	C	S	.	.	H	α-helix	trans	-61.2	-40.1	174.5	-179.3	66.3	0	0	0	112.9	I765 L768 E769 I772 L798 K799 A800 K806	I765-L802 HydrophobicContact CG2-CD1 4.1Å; L768-L802 HydrophobicContact CB-CD1 4.34Å; L768-L802 HydrophobicContact CD2-CB 3.74Å; L768-L802 HydrophobicContact CD2-CD1 3.97Å; L768-L802 HydrophobicContact CD2-CG 4.48Å; L768-L802 HydrophobicContact CG-CB 4.23Å; L768-L802 HydrophobicContact CG-CD1 4.18Å; E769-L802 HydrophobicContact CG-CD1 3.9Å; E769-L802 HydrophobicContact CG-CD2 3.74Å; E769-L802 HydrophobicContact CG-CG 4.49Å; I772-L802 HydrophobicContact CD1-CB 4.28Å; I772-L802 HydrophobicContact CD1-CD2 4Å; L798-L802 WeakPolarHBondContact O-CB 3.45Å; L798-L802 PolarHBondContact O-N 2.94Å; K799-L802 PolarHBondContact O-N 3.41Å; A800-L802 VanDerWaalsContact C-N 3.33Å; A800-L802 PolarHBondContact O-N 3.06Å; L802-K806 HydrophobicContact CD1-CD 4.48Å; L802-K806 HydrophobicContact CG-CD 4.39Å; L802-K806 WeakPolarHBondContact O-CB 3.31Å; L802-K806 VanDerWaalsContact O-CG 3.31Å; L802-K806 WeakPolarHBondContact O-CG 3.4Å; L802-K806 PolarHBondContact O-N 3.31Å; L802-K806 VanDerWaalsContact O-N 3.16Å
803	Q	88.8	Confident	73.6	Confident	116 Å²	116	82.1 Å²	82.1	54%	0.542	44%	0.438	S	S	.	.	H	α-helix	trans	-67.2	-42.5	176.5	-75.2	174.9	-22.4	0	0	111.5	K799 A800 S801 K806 G807 L808	K799-Q803 WeakPolarHBondContact O-CG 3.42Å; K799-Q803 PolarHBondContact O-N 3.18Å; A800-Q803 PolarHBondContact O-N 3.27Å; S801-Q803 VanDerWaalsContact C-N 3.35Å; S801-Q803 PolarHBondContact O-N 2.94Å; Q803-K806 PolarHBondContact O-N 3.44Å; Q803-G807 PolarHBondContact O-N 3.42Å; Q803-L808 PolarHBondContact O-N 3.42Å
804	S	86	Confident	71	Confident	93 Å²	93	79.4 Å²	79.4	65%	0.65	44%	0.436	S	S	*	.	H	α-helix	trans	-59.9	-48.4	176.1	-179.2	0	0	0	0	112	A800 S801 K806 G807	A800-S804 PolarHBondContact O-N 2.94Å; S801-S804 PolarHBondContact O-N 3.3Å; S804-K806 VanDerWaalsContact C-N 3.31Å; S804-K806 PolarHBondContact O-N 3.16Å; S804-G807 PolarHBondContact O-N 2.99Å
805	I	83.4	Confident	68.6	Low	10 Å²	10	84 Å²	84	5%	0.051	46%	0.463	C	S	.	.	H	α-helix	trans	-66.7	-31.8	180	-65.6	167	0	0	0	112.2	Q761 I764 I765 L768 S801 G807	Q761-I805 HydrophobicContact CG-CG2 4.39Å; Q761-I805 PolarHBondContact NE2-O 2.69Å; I764-I805 HydrophobicContact CG2-CD1 4.07Å; I764-I805 HydrophobicContact CG2-CG2 4.21Å; I765-I805 HydrophobicContact CG1-CG2 3.99Å; L768-I805 HydrophobicContact CD2-CD1 4Å; S801-I805 WeakPolarHBondContact O-CG1 3.45Å; S801-I805 PolarHBondContact O-N 3.37Å; I805-G807 PolarHBondContact O-N 2.73Å
806	K	82.9	Confident	66.1	Low	82 Å²	82	87.4 Å²	87.4	36%	0.357	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-11.1	174.8	-79.2	179.7	178.2	-175.6	0	113.5	I765 E769 L802 Q803 S804 L808	I765-K806 HydrophobicContact CD1-CG 3.78Å; I765-K806 HydrophobicContact CG1-CG 4.19Å; E769-K806 WeakPolarHBondContact OE1-CE 3.45Å; E769-K806 IonicContact OE1-NZ 3.61Å; E769-K806 PolarHBondContact OE1-NZ 2.94Å; L802-K806 HydrophobicContact CD1-CD 4.48Å; L802-K806 HydrophobicContact CG-CD 4.39Å; L802-K806 WeakPolarHBondContact O-CB 3.31Å; L802-K806 VanDerWaalsContact O-CG 3.31Å; L802-K806 WeakPolarHBondContact O-CG 3.4Å; L802-K806 PolarHBondContact O-N 3.31Å; L802-K806 VanDerWaalsContact O-N 3.16Å; Q803-K806 PolarHBondContact O-N 3.44Å; S804-K806 VanDerWaalsContact C-N 3.31Å; S804-K806 PolarHBondContact O-N 3.16Å; K806-L808 HydrophobicContact CB-CD1 4.4Å; K806-L808 HydrophobicContact CB-CG 4.29Å; K806-L808 PolarHBondContact O-N 3.34Å
807	G	70.7	Confident	63.5	Low	55 Å²	55	87.5 Å²	87.5	57%	0.567	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	23.8	-176.1	0	0	0	0	0	113.2	Q803 S804 I805 E809	Q803-G807 PolarHBondContact O-N 3.42Å; S804-G807 PolarHBondContact O-N 2.99Å; I805-G807 PolarHBondContact O-N 2.73Å; G807-E809 PolarHBondContact O-N 3.38Å
808	L	54.7	Low	61	Low	124 Å²	124	89 Å²	89	65%	0.649	50%	0.5	S	S	*	.			trans	-77.5	75.4	168.7	-68.6	170.4	0	0	0	107.4	Q803 K806	Q803-L808 PolarHBondContact O-N 3.42Å; K806-L808 HydrophobicContact CB-CD1 4.4Å; K806-L808 HydrophobicContact CB-CG 4.29Å; K806-L808 PolarHBondContact O-N 3.34Å
809	E	40.9	Very low	58.5	Low	172 Å²	172	91.9 Å²	91.9	80%	0.804	52%	0.524	S	S	*	.			trans	-58.3	152.6	173.9	-74.9	-174.9	160.8	0	0	111.2	G807 E811	G807-E809 PolarHBondContact O-N 3.38Å; E809-E811 PolarHBondContact O-N 3.22Å
810	E	39.3	Very low	55.9	Low	168 Å²	168	89.9 Å²	89.9	79%	0.785	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	9.6	-166	-59.9	175.7	143.2	0	0	116.9	E812 V813	E810-E812 PolarHBondContact O-N 2.79Å; E810-V813 PolarHBondContact O-N 3.13Å; E810-V813 VanDerWaalsContact O-N 3.13Å
811	E	36.5	Very low	53.3	Low	170 Å²	170	90.7 Å²	90.7	79%	0.794	54%	0.535	S	S	*	.	H	α-helix	trans	-62.3	-29.5	-177.6	-76.5	-161.6	152.5	0	0	113	E809	E809-E811 PolarHBondContact O-N 3.22Å
812	E	35.5	Very low	50.9	Low	163 Å²	163	99.3 Å²	99.3	76%	0.762	57%	0.571	S	S	*	*	H	α-helix	trans	-80.6	-20.7	176.5	-83.3	-165	151.2	0	0	114.3	E810 A814 V815 V816	E810-E812 PolarHBondContact O-N 2.79Å; E812-A814 VanDerWaalsContact C-N 3.34Å; E812-V815 PolarHBondContact O-N 3.22Å; E812-V816 PolarHBondContact O-N 3.29Å
813	V	35.4	Very low	48.4	Very low	104 Å²	104	107.1 Å²	107.1	63%	0.63	60%	0.604	S	S	*	*	H	α-helix	trans	-72.8	-32.6	177.6	-176.1	0	0	0	0	110.6	E810 V815 V816 A817	E810-V813 PolarHBondContact O-N 3.13Å; E810-V813 VanDerWaalsContact O-N 3.13Å; V813-V815 VanDerWaalsContact C-N 3.27Å; V813-V815 PolarHBondContact O-N 3.36Å; V813-V816 PolarHBondContact O-N 3.21Å; V813-A817 WeakPolarHBondContact O-CB 3.43Å; V813-A817 PolarHBondContact O-N 3.16Å
814	A	33.9	Very low	45.7	Very low	63 Å²	63	106.2 Å²	106.2	52%	0.521	61%	0.61	S	S	.	*	H	α-helix	trans	-64.1	-31.8	173.6	0	0	0	0	0	112.6	E812 T818	E812-A814 VanDerWaalsContact C-N 3.34Å; A814-T818 WeakPolarHBondContact O-CB 3.43Å; A814-T818 WeakPolarHBondContact O-CG2 3.43Å; A814-T818 PolarHBondContact O-N 2.98Å; A814-T818 PolarHBondContact O-OG1 3.35Å
815	V	37.7	Very low	43.1	Very low	97 Å²	97	108.4 Å²	108.4	59%	0.588	62%	0.615	S	S	*	*	H	α-helix	trans	-76.2	-36.2	178.3	-176.7	0	0	0	0	111.4	E812 V813 T818 A819	E812-V815 PolarHBondContact O-N 3.22Å; V813-V815 VanDerWaalsContact C-N 3.27Å; V813-V815 PolarHBondContact O-N 3.36Å; V815-T818 PolarHBondContact O-OG1 3.11Å; V815-A819 WeakPolarHBondContact O-CB 3.49Å; V815-A819 PolarHBondContact O-N 2.74Å; V815-A819 VanDerWaalsContact O-N 3.11Å
816	V	35.6	Very low	40.8	Very low	104 Å²	104	114.2 Å²	114.2	63%	0.63	65%	0.651	S	S	*	*	H	α-helix	trans	-75.6	-36.5	178	-178.4	0	0	0	0	112	E812 V813 A819 A820	E812-V816 PolarHBondContact O-N 3.29Å; V813-V816 PolarHBondContact O-N 3.21Å; V816-A819 PolarHBondContact O-N 3.3Å; V816-A820 PolarHBondContact O-N 3.47Å; V816-A820 VanDerWaalsContact O-N 3.16Å
817	A	34.7	Very low	38.5	Very low	63 Å²	63	115.5 Å²	115.5	52%	0.521	67%	0.665	S	S	.	*	H	α-helix	trans	-67.7	-35.9	176	0	0	0	0	0	112.5	V813 A820 A821	V813-A817 WeakPolarHBondContact O-CB 3.43Å; V813-A817 PolarHBondContact O-N 3.16Å; A817-A820 PolarHBondContact O-N 3.33Å; A817-A821 PolarHBondContact O-N 3.23Å
818	T	38.2	Very low	36.8	Very low	92 Å²	92	120.6 Å²	120.6	56%	0.564	68%	0.68	S	S	*	*	H	α-helix	trans	-75.1	-26.2	175.3	50.3	0	0	0	0	113.2	A814 V815 K822	A814-T818 WeakPolarHBondContact O-CB 3.43Å; A814-T818 WeakPolarHBondContact O-CG2 3.43Å; A814-T818 PolarHBondContact O-N 2.98Å; A814-T818 PolarHBondContact O-OG1 3.35Å; V815-T818 PolarHBondContact O-OG1 3.11Å; T818-K822 PolarHBondContact O-N 3.36Å
819	A	37.2	Very low	35.7	Very low	60 Å²	60	122.9 Å²	122.9	50%	0.496	69%	0.687	S	S	.	*	H	α-helix	trans	-70.6	-34.2	172	0	0	0	0	0	112.8	V815 V816	V815-A819 WeakPolarHBondContact O-CB 3.49Å; V815-A819 PolarHBondContact O-N 2.74Å; V815-A819 VanDerWaalsContact O-N 3.11Å; V816-A819 PolarHBondContact O-N 3.3Å
820	A	35.3	Very low	35.4	Very low	70 Å²	70	124 Å²	124	58%	0.579	69%	0.692	S	S	*	*	H	α-helix	trans	-71	-38.8	176.7	0	0	0	0	0	112.4	V816 A817 K822 K823	V816-A820 PolarHBondContact O-N 3.47Å; V816-A820 VanDerWaalsContact O-N 3.16Å; A817-A820 PolarHBondContact O-N 3.33Å; A820-K822 VanDerWaalsContact C-N 3.3Å; A820-K822 PolarHBondContact O-N 3.37Å; A820-K823 PolarHBondContact O-N 3.45Å
821	A	35.7	Very low	35.3	Very low	69 Å²	69	124.1 Å²	124.1	57%	0.57	70%	0.698	S	S	*	*	H	α-helix	trans	-69.9	-22.5	179.6	0	0	0	0	0	113.9	A817	A817-A821 PolarHBondContact O-N 3.23Å
822	K	37.7	Very low	35	Very low	189 Å²	189	122.6 Å²	122.6	82%	0.822	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-9.9	177.8	-93.1	-177.7	176.8	176.6	0	114.8	T818 A820	T818-K822 PolarHBondContact O-N 3.36Å; A820-K822 VanDerWaalsContact C-N 3.3Å; A820-K822 PolarHBondContact O-N 3.37Å
823	K	35.7	Very low	35	Very low	186 Å²	186	126.4 Å²	126.4	81%	0.809	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	-4.3	179	-88.8	-173.4	174.9	-177.9	0	115	A820	A820-K823 PolarHBondContact O-N 3.45Å
824	S	33.1	Very low	35	Very low	96 Å²	96	127.5 Å²	127.5	67%	0.671	73%	0.728	S	S	*	*	S	Bend	trans	-93.2	16.5	-179	70.3	0	0	0	0	115
825	N	30.9	Very low	35.1	Very low	139 Å²	139	130.9 Å²	130.9	74%	0.743	74%	0.739	S	S	*	*			trans	-124.5	22.1	-174.4	-112	9.6	0	0	0	114.6
826	V	36.2	Very low	34.9	Very low	132 Å²	132	132.8 Å²	132.8	80%	0.8	75%	0.747	S	S	*	*			trans	-96.2	96.7	165.5	-175.7	0	0	0	0	106.7
827	V	34.1	Very low	34.9	Very low	109 Å²	109	134.5 Å²	134.5	66%	0.661	75%	0.754	S	S	*	*			trans	-63.6	131.1	179.2	170.8	0	0	0	0	109.7	E829	V827-E829 HydrophobicContact CG1-CG 4.38Å; V827-E829 PolarHBondContact O-N 3.16Å; V827-E829 VanDerWaalsContact O-N 3.16Å
828	D	33.8	Very low	34.9	Very low	163 Å²	163	138.9 Å²	138.9	87%	0.872	77%	0.768	S	S	*	*			trans	-59.8	100.5	168.2	-61.1	-57.7	0	0	0	110.6
829	E	32.2	Very low	34.7	Very low	172 Å²	172	142.1 Å²	142.1	80%	0.804	78%	0.782	S	S	*	*			trans	-143.3	76.8	164.4	-83.9	-168.6	169	0	0	108.6	V827	V827-E829 HydrophobicContact CG1-CG 4.38Å; V827-E829 PolarHBondContact O-N 3.16Å; V827-E829 VanDerWaalsContact O-N 3.16Å
830	E	35	Very low	34.5	Very low	194 Å²	194	147.9 Å²	147.9	91%	0.907	80%	0.802	S	S	*	*			trans	-170.3	57.7	158.9	-109.9	171.1	-154.3	0	0	111.6
831	D	36.4	Very low	34.4	Very low	171 Å²	171	153.9 Å²	153.9	91%	0.914	82%	0.82	S	S	*	*			trans	-125.1	72.1	158.8	-94.7	-25.2	0	0	0	108
832	V	31.8	Very low	34.3	Very low	138 Å²	138	161 Å²	161	84%	0.836	84%	0.84	S	S	*	*			trans	-132.9	89.8	163.4	-179.4	0	0	0	0	106.9
833	I	35.2	Very low	34	Very low	243 Å²	243	158.5 Å²	158.5	100%	1.246	84%	0.842	S	S	*	*			trans	-171.2	0	140.7	-89.3	151.6	0	0	0	108.4

Retrieved 833 of 833 residues in 173.8 ms (Link to these results)

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