A0A5K4FBV7_SCHMA Loading...

Ras-GEF domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FBV7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 973 aa.

						>A0A5K4FBV7_SCHMA|A0A5K4FBV7
MRCCGNNVFSKNQDATRIVLCNIDSEVWDRVTAEMEYLCRQAINCLKIIACKHQIDLNPEKKLPSVRIITINRASCHHSSHNPAMHKSEKHFKEIITITPSINPLINLWNLNLDTVAEQLTVADQRLFLDMELNDCLIYARGKPAPSVQATIDQYNKLYHLVQSSMFNSDQDFPILVEPTPIYSRRFNKRGNYNSPATRVSPQIITIWSKSSPNHNSSASDVGKLKTGCIITWIDIAYRLRQTRNYSALKAIIMALQSTPVLRLWHSWNVLEYHYHEHFMKFKYLASVVSFDNNQEQLRKRLDKCANKMYWYLKLNNPNPLCGDISRPGDISQFEDSDAEYSRRTKYSTSPNQSSYLSGVIPYLGVFLSDLTLLHHSSPDYISRSKYSPSNKNKQEIITNNQKSALPSTNTTTITDNNINDDINSSVISAINNTNYFSKQSVKNPYGIIKLLHISDQLGNFTRSTPDLSVVVASSSTVQSDNNSTKQSWKLLKNVSNTNASPVKPSVSADRNDNIQLNGRVKKEKFGLSRRHSTIDSTDDKLINLDKHRREFKILANIFLLQQNAQFYSLRPEPDFSTWFHSYPLISENEALNRSCDLEPADEQMQQHVNRPFSASPYTFDTSDSSGAVDIINTNKPRHQRNDTNIHVERSKYAITRPPSATPIYATTTTTTSIMRNPNTHISNISSSTSGSLSRNNKSRINGTYSSSDLLDDIKYNRSTTTDELITGNTLDISNQQNNHKHNMKTSTSRWTTHKSSSTTFDTRNDYNSNLSITVSLHHTNSQHDGRVSPFIAKVAHLGSLSHGSHGHNDNHFSHSKQTQPIIQLSVSPVDSVSDVLSKALKLFGCADQKVDNYDLIHVHKDARDITLPKHFNFYESINYSSFNLSNNKHYELLEFICTPTIHNENNNDNNNSLNSSPSSSSTTAAYIKANNNTNYHGKKHNPKPNMTTTEYTKQYKLTSKSSNKHCTVELWS
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.1	Very low	30.3	Very low	159 Å²	159	150.8 Å²	150.8	78%	0.783	81%	0.814	S	S	*	*				0	-0.2	0	-85	177.9	175.7	0	0	116.3	C3 W28 M35	M1-C3 VanDerWaalsContact C-N 3.31Å; M1-C3 PolarHBondContact O-N 3Å; M1-W28 HydrophobicContact CE-CH2 3.5Å; M1-W28 HydrophobicContact CE-CZ3 3.53Å; M1-M35 HydrophobicContact CB-CE 4.5Å; M1-M35 HydrophobicContact CG-CE 3.97Å
2	R	32.3	Very low	30.5	Very low	239 Å²	239	147.5 Å²	147.5	90%	0.902	80%	0.796	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	3	178	-90.5	-174.2	175.4	177.8	-1.9	115.9
3	C	29.1	Very low	30.7	Very low	123 Å²	123	149.5 Å²	149.5	83%	0.831	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-0.7	-162.3	-54.4	0	0	0	0	116.2	M1	M1-C3 VanDerWaalsContact C-N 3.31Å; M1-C3 PolarHBondContact O-N 3Å
4	C	30.6	Very low	31	Very low	129 Å²	129	147.1 Å²	147.1	87%	0.872	78%	0.784	S	S	*	*	S	Bend	trans	-129.5	12.3	-168.3	-54.4	0	0	0	0	115
5	G	31	Very low	31.1	Very low	65 Å²	65	140 Å²	140	67%	0.67	75%	0.754	S	S	*	*			trans	-97.5	-24.4	-173.7	0	0	0	0	0	116.2	N7	G5-N7 PolarHBondContact O-N 3.06Å
6	N	29.7	Very low	31.3	Very low	152 Å²	152	137.4 Å²	137.4	81%	0.813	75%	0.745	S	S	*	*	S	Bend	trans	-95.9	88.3	-168	-63.5	8.9	0	0	0	111
7	N	28.5	Very low	31.3	Very low	161 Å²	161	140.1 Å²	140.1	86%	0.861	74%	0.742	S	S	*	*			trans	159.1	57.8	147.7	-80.7	-16.8	0	0	0	114	G5	G5-N7 PolarHBondContact O-N 3.06Å
8	V	29.5	Very low	31.6	Very low	133 Å²	133	138 Å²	138	81%	0.806	73%	0.73	S	S	*	*			trans	-137.2	114.1	159.5	-174.2	0	0	0	0	110.1
9	F	28.5	Very low	31.9	Very low	199 Å²	199	136.1 Å²	136.1	87%	0.873	72%	0.723	S	S	*	*			trans	-81.8	130.7	173.4	-101.5	-99.4	0	0	0	111.2
10	S	29.7	Very low	32.1	Very low	92 Å²	92	134.4 Å²	134.4	64%	0.643	71%	0.714	S	S	*	*	S	Bend	trans	66.8	156	156.3	79.2	0	0	0	0	119.7	N12	S10-N12 VanDerWaalsContact C-N 3.31Å; S10-N12 PolarHBondContact O-N 3.06Å
11	K	33.4	Very low	32.5	Very low	207 Å²	207	132.9 Å²	132.9	90%	0.9	71%	0.713	S	S	*	*	S	Bend	trans	61.3	-16	163.4	-66.1	-173.5	175.5	-178.1	0	121.1
12	N	32.4	Very low	32.8	Very low	111 Å²	111	131.4 Å²	131.4	59%	0.594	71%	0.709	S	S	*	*			trans	-117.6	47.9	-172.7	-90.6	-14.4	0	0	0	115.8	S10 D14 A15	S10-N12 VanDerWaalsContact C-N 3.31Å; S10-N12 PolarHBondContact O-N 3.06Å; N12-D14 VanDerWaalsContact C-N 3.33Å; N12-D14 PolarHBondContact O-N 2.94Å; N12-A15 HydrophobicContact CB-CB 4.11Å; N12-A15 PolarHBondContact O-N 3.41Å
13	Q	33.5	Very low	33.6	Very low	173 Å²	173	123.1 Å²	123.1	81%	0.808	68%	0.682	S	S	*	*	H	α-helix	trans	-64.8	-29.7	178.7	-78.3	-170	-15	0	0	114.3	T16	Q13-T16 PolarHBondContact O-N 3.03Å
14	D	34	Very low	34.7	Very low	116 Å²	116	122.6 Å²	122.6	62%	0.62	67%	0.67	S	S	*	*	H	α-helix	trans	-71.8	-30.5	176.5	-64.7	-56.8	0	0	0	112.6	N12 T16 R17 I18	N12-D14 VanDerWaalsContact C-N 3.33Å; N12-D14 PolarHBondContact O-N 2.94Å; D14-T16 VanDerWaalsContact C-N 3.32Å; D14-T16 PolarHBondContact O-N 3.5Å; D14-R17 PolarHBondContact O-N 3.46Å; D14-I18 WeakPolarHBondContact O-CG1 3.31Å; D14-I18 PolarHBondContact O-N 3.45Å
15	A	32.8	Very low	35.9	Very low	41 Å²	41	120.1 Å²	120.1	34%	0.339	66%	0.655	S	S	.	*	H	α-helix	trans	-63.3	-37.8	175.6	0	0	0	0	0	112	N12 R17 I18 V19	N12-A15 HydrophobicContact CB-CB 4.11Å; N12-A15 PolarHBondContact O-N 3.41Å; A15-R17 VanDerWaalsContact C-N 3.25Å; A15-R17 PolarHBondContact O-N 3.26Å; A15-I18 PolarHBondContact O-N 3.46Å; A15-I18 VanDerWaalsContact O-N 3.13Å; A15-V19 WeakPolarHBondContact O-CG2 3.39Å; A15-V19 PolarHBondContact O-N 3.18Å; A15-V19 VanDerWaalsContact O-N 3.08Å
16	T	34	Very low	37.3	Very low	98 Å²	98	122.4 Å²	122.4	60%	0.601	65%	0.648	S	S	*	*	H	α-helix	trans	-66.8	-27	178.3	-36.8	0	0	0	0	112.6	Q13 D14	Q13-T16 PolarHBondContact O-N 3.03Å; D14-T16 VanDerWaalsContact C-N 3.32Å; D14-T16 PolarHBondContact O-N 3.5Å
17	R	32.6	Very low	38.7	Very low	184 Å²	184	118.1 Å²	118.1	69%	0.694	63%	0.627	S	S	*	*	H	α-helix	trans	-72.8	-39.2	170.4	-79.6	-179.6	165.4	161.3	-2.5	112.3	D14 A15 V19 C21	D14-R17 PolarHBondContact O-N 3.46Å; A15-R17 VanDerWaalsContact C-N 3.25Å; A15-R17 PolarHBondContact O-N 3.26Å; R17-V19 VanDerWaalsContact C-N 3.35Å; R17-V19 PolarHBondContact O-N 3.13Å; R17-C21 PolarHBondContact O-SG 2.84Å; R17-C21 VanDerWaalsContact O-SG 3.39Å
18	I	35.3	Very low	40.2	Very low	102 Å²	102	114.9 Å²	114.9	52%	0.523	60%	0.603	S	S	.	*	H	α-helix	trans	-65	-37.8	179.3	-66.2	164.7	0	0	0	111.5	D14 A15 L20 C21	D14-I18 WeakPolarHBondContact O-CG1 3.31Å; D14-I18 PolarHBondContact O-N 3.45Å; A15-I18 PolarHBondContact O-N 3.46Å; A15-I18 VanDerWaalsContact O-N 3.13Å; I18-L20 VanDerWaalsContact C-N 3.34Å; I18-L20 PolarHBondContact O-N 2.98Å; I18-C21 PolarHBondContact O-N 3Å
19	V	38	Very low	41.5	Very low	101 Å²	101	113.3 Å²	113.3	61%	0.612	59%	0.59	S	S	*	*	H	α-helix	trans	-63	-33.8	-178.3	170.5	0	0	0	0	113.5	A15 R17	A15-V19 WeakPolarHBondContact O-CG2 3.39Å; A15-V19 PolarHBondContact O-N 3.18Å; A15-V19 VanDerWaalsContact O-N 3.08Å; R17-V19 VanDerWaalsContact C-N 3.35Å; R17-V19 PolarHBondContact O-N 3.13Å
20	L	35.6	Very low	43.1	Very low	102 Å²	102	110.3 Å²	110.3	53%	0.534	57%	0.573	S	S	.	*	H	α-helix	trans	-80.1	-20.7	178.9	-72.6	169.5	0	0	0	113.6	I18 N22 I23	I18-L20 VanDerWaalsContact C-N 3.34Å; I18-L20 PolarHBondContact O-N 2.98Å; L20-N22 VanDerWaalsContact C-N 3.34Å; L20-I23 HydrophobicContact CD2-CD1 4.07Å
21	C	40.6	Very low	44.4	Very low	103 Å²	103	108.8 Å²	108.8	70%	0.696	56%	0.559	S	S	*	*	H	α-helix	trans	-80.4	-13.3	177.4	-63.9	0	0	0	0	113.7	R17 I18	R17-C21 PolarHBondContact O-SG 2.84Å; R17-C21 VanDerWaalsContact O-SG 3.39Å; I18-C21 PolarHBondContact O-N 3Å
22	N	38.7	Very low	45.7	Very low	129 Å²	129	102.6 Å²	102.6	69%	0.69	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	15.7	-176.4	-70.6	3	0	0	0	113.4	L20	L20-N22 VanDerWaalsContact C-N 3.34Å
23	I	47.3	Very low	47.2	Very low	65 Å²	65	100 Å²	100	33%	0.333	53%	0.534	S	S	.	.	S	Bend	trans	-84.6	121	171.2	-60.7	173.6	0	0	0	107.7	L20 V27 W28	L20-I23 HydrophobicContact CD2-CD1 4.07Å; I23-V27 HydrophobicContact CG2-CB 3.86Å; I23-V27 HydrophobicContact CG2-CG1 3.79Å; I23-W28 HydrophobicContact CD1-CZ2 4.29Å; I23-W28 VanDerWaalsContact CG2-CD1 3.47Å; I23-W28 HydrophobicContact CG2-CG 4.01Å
24	D	52.7	Low	48.4	Very low	111 Å²	111	97.6 Å²	97.6	59%	0.594	52%	0.522	S	S	*	.			trans	-57.7	145.9	179.4	-161.6	-15.5	0	0	0	111.8	E26 V27 W28	D24-E26 VanDerWaalsContact C-N 3.31Å; D24-E26 PolarHBondContact O-N 3.32Å; D24-V27 HydrophobicContact CB-CG2 4.19Å; D24-V27 WeakPolarHBondContact O-CA 3.25Å; D24-V27 WeakPolarHBondContact O-CB 3.49Å; D24-V27 PolarHBondContact O-N 3.45Å; D24-W28 PolarHBondContact O-N 2.84Å; D24-W28 VanDerWaalsContact O-N 3.09Å
25	S	56.4	Low	49.3	Very low	78 Å²	78	95.9 Å²	95.9	55%	0.545	51%	0.511	S	S	.	.	H	α-helix	trans	-56.2	-46.2	-174.1	-168.3	0	0	0	0	111	V27 W28 D29	S25-V27 PolarHBondContact O-N 3.23Å; S25-V27 VanDerWaalsContact O-N 3.16Å; S25-W28 CarbonylContact O-C 3.48Å; S25-W28 WeakPolarHBondContact O-CA 3.41Å; S25-W28 WeakPolarHBondContact O-CB 3.34Å; S25-W28 PolarHBondContact O-N 2.99Å; S25-W28 VanDerWaalsContact O-N 3.08Å; S25-D29 PolarHBondContact O-N 3.3Å; S25-D29 PolarHBondContact OG-OD2 2.79Å
26	E	60.9	Low	50.6	Low	112 Å²	112	98.7 Å²	98.7	52%	0.523	52%	0.517	S	S	.	.	H	α-helix	trans	-60.1	-30	178.1	-63.5	-165.5	158.6	0	0	113.1	D24 R30	D24-E26 VanDerWaalsContact C-N 3.31Å; D24-E26 PolarHBondContact O-N 3.32Å; E26-R30 VanDerWaalsContact O-CB 3.31Å; E26-R30 WeakPolarHBondContact O-CB 3.43Å; E26-R30 VanDerWaalsContact O-CG 3.24Å; E26-R30 WeakPolarHBondContact O-CG 3.18Å; E26-R30 PolarHBondContact O-N 3.31Å; E26-R30 PolarHBondContact O-NE 3.18Å; E26-R30 IonicContact OE2-CZ 2.95Å; E26-R30 IonicContact OE2-NH1 2.91Å; E26-R30 PolarHBondContact OE2-NH1 3.28Å; E26-R30 IonicContact OE2-NH2 3.61Å; E26-R30 PolarHBondContact OE2-NH2 3.31Å
27	V	57.4	Low	52.3	Low	62 Å²	62	100.2 Å²	100.2	38%	0.376	51%	0.513	S	S	.	.	H	α-helix	trans	-75.5	-39	178.6	179	0	0	0	0	109.9	I23 D24 S25 V31	I23-V27 HydrophobicContact CG2-CB 3.86Å; I23-V27 HydrophobicContact CG2-CG1 3.79Å; D24-V27 HydrophobicContact CB-CG2 4.19Å; D24-V27 WeakPolarHBondContact O-CA 3.25Å; D24-V27 WeakPolarHBondContact O-CB 3.49Å; D24-V27 PolarHBondContact O-N 3.45Å; S25-V27 PolarHBondContact O-N 3.23Å; S25-V27 VanDerWaalsContact O-N 3.16Å; V27-V31 WeakPolarHBondContact O-CB 3.47Å; V27-V31 VanDerWaalsContact O-CG2 3.26Å; V27-V31 WeakPolarHBondContact O-CG2 3.28Å; V27-V31 PolarHBondContact O-N 3.06Å
28	W	60.2	Low	53.7	Low	94 Å²	94	96.4 Å²	96.4	36%	0.356	51%	0.506	S	S	.	.	H	α-helix	trans	-61.5	-45.3	168.9	-93.7	117.2	0	0	0	112.3	M1 I23 D24 S25 V31 T32	M1-W28 HydrophobicContact CE-CH2 3.5Å; M1-W28 HydrophobicContact CE-CZ3 3.53Å; I23-W28 HydrophobicContact CD1-CZ2 4.29Å; I23-W28 VanDerWaalsContact CG2-CD1 3.47Å; I23-W28 HydrophobicContact CG2-CG 4.01Å; D24-W28 PolarHBondContact O-N 2.84Å; D24-W28 VanDerWaalsContact O-N 3.09Å; S25-W28 CarbonylContact O-C 3.48Å; S25-W28 WeakPolarHBondContact O-CA 3.41Å; S25-W28 WeakPolarHBondContact O-CB 3.34Å; S25-W28 PolarHBondContact O-N 2.99Å; S25-W28 VanDerWaalsContact O-N 3.08Å; W28-V31 PolarHBondContact O-N 3.17Å; W28-T32 WeakPolarHBondContact O-CB 3.17Å; W28-T32 PolarHBondContact O-N 3.31Å; W28-T32 PolarHBondContact O-OG1 3.44Å
29	D	57.8	Low	54.7	Low	100 Å²	100	95.1 Å²	95.1	54%	0.535	51%	0.505	S	S	.	.	H	α-helix	trans	-61.7	-46.2	178	-68.5	-46.5	0	0	0	111.2	S25 T32 A33	S25-D29 PolarHBondContact O-N 3.3Å; S25-D29 PolarHBondContact OG-OD2 2.79Å; D29-T32 PolarHBondContact O-N 2.98Å; D29-A33 WeakPolarHBondContact O-CB 3.42Å; D29-A33 PolarHBondContact O-N 3.22Å
30	R	62	Low	56.2	Low	135 Å²	135	97.4 Å²	97.4	51%	0.509	50%	0.503	S	S	.	.	H	α-helix	trans	-60.5	-45.7	175	-78.2	-178.5	-76.8	-105.6	4.4	112.6	E26 T32 A33 E34	E26-R30 VanDerWaalsContact O-CB 3.31Å; E26-R30 WeakPolarHBondContact O-CB 3.43Å; E26-R30 VanDerWaalsContact O-CG 3.24Å; E26-R30 WeakPolarHBondContact O-CG 3.18Å; E26-R30 PolarHBondContact O-N 3.31Å; E26-R30 PolarHBondContact O-NE 3.18Å; E26-R30 IonicContact OE2-CZ 2.95Å; E26-R30 IonicContact OE2-NH1 2.91Å; E26-R30 PolarHBondContact OE2-NH1 3.28Å; E26-R30 IonicContact OE2-NH2 3.61Å; E26-R30 PolarHBondContact OE2-NH2 3.31Å; R30-T32 VanDerWaalsContact C-N 3.31Å; R30-T32 PolarHBondContact O-N 3.22Å; R30-A33 PolarHBondContact O-N 3.02Å; R30-E34 PolarHBondContact O-N 2.99Å
31	V	57.2	Low	57.7	Low	60 Å²	60	96.2 Å²	96.2	36%	0.364	49%	0.494	S	S	.	.	H	α-helix	trans	-65.7	-35.5	177.6	168.7	0	0	0	0	111.7	V27 W28 M35	V27-V31 WeakPolarHBondContact O-CB 3.47Å; V27-V31 VanDerWaalsContact O-CG2 3.26Å; V27-V31 WeakPolarHBondContact O-CG2 3.28Å; V27-V31 PolarHBondContact O-N 3.06Å; W28-V31 PolarHBondContact O-N 3.17Å; V31-M35 WeakPolarHBondContact O-CG 3.48Å; V31-M35 PolarHBondContact O-N 3.41Å
32	T	59.4	Low	58.9	Low	77 Å²	77	93.9 Å²	93.9	47%	0.472	48%	0.482	S	S	.	.	H	α-helix	trans	-70	-43.1	178.1	-55.6	0	0	0	0	111.1	W28 D29 R30 M35 E36	W28-T32 WeakPolarHBondContact O-CB 3.17Å; W28-T32 PolarHBondContact O-N 3.31Å; W28-T32 PolarHBondContact O-OG1 3.44Å; D29-T32 PolarHBondContact O-N 2.98Å; R30-T32 VanDerWaalsContact C-N 3.31Å; R30-T32 PolarHBondContact O-N 3.22Å; T32-M35 PolarHBondContact O-N 3.24Å; T32-E36 PolarHBondContact O-N 3.3Å
33	A	65.3	Low	60.4	Low	58 Å²	58	91.9 Å²	91.9	48%	0.479	47%	0.471	S	S	.	.	H	α-helix	trans	-62.6	-43.5	175.3	0	0	0	0	0	112.6	D29 R30 M35 E36 Y37	D29-A33 WeakPolarHBondContact O-CB 3.42Å; D29-A33 PolarHBondContact O-N 3.22Å; R30-A33 PolarHBondContact O-N 3.02Å; A33-M35 PolarHBondContact O-N 3.45Å; A33-E36 PolarHBondContact O-N 3.45Å; A33-Y37 WeakPolarHBondContact O-CB 3.29Å; A33-Y37 PolarHBondContact O-N 2.69Å
34	E	58	Low	61.5	Low	122 Å²	122	92.2 Å²	92.2	57%	0.57	47%	0.473	S	S	*	.	H	α-helix	trans	-57.9	-45.4	172.1	-84.8	-75.5	124.4	0	0	111.8	R30 Y37 L38	R30-E34 PolarHBondContact O-N 2.99Å; E34-Y37 PolarHBondContact O-N 2.9Å; E34-L38 WeakPolarHBondContact O-CG 3.49Å; E34-L38 PolarHBondContact O-N 2.9Å
35	M	53.9	Low	62.2	Low	80 Å²	80	90.2 Å²	90.2	39%	0.394	47%	0.467	S	S	.	.	H	α-helix	trans	-65.1	-39.6	176.3	-76.9	-153.5	176.8	0	0	112.9	M1 V31 T32 A33 L38 C39	M1-M35 HydrophobicContact CB-CE 4.5Å; M1-M35 HydrophobicContact CG-CE 3.97Å; V31-M35 WeakPolarHBondContact O-CG 3.48Å; V31-M35 PolarHBondContact O-N 3.41Å; T32-M35 PolarHBondContact O-N 3.24Å; A33-M35 PolarHBondContact O-N 3.45Å; M35-L38 PolarHBondContact O-N 3.16Å; M35-C39 WeakPolarHBondContact O-CB 3.26Å; M35-C39 PolarHBondContact O-N 2.97Å; M35-C39 PolarHBondContact O-SG 3.44Å
36	E	60.2	Low	62.8	Low	99 Å²	99	91.6 Å²	91.6	46%	0.463	47%	0.468	S	S	.	.	H	α-helix	trans	-65.9	-41.1	177.7	-155.6	-160.6	137.8	0	0	111.2	T32 A33 C39 R40	T32-E36 PolarHBondContact O-N 3.3Å; A33-E36 PolarHBondContact O-N 3.45Å; E36-C39 PolarHBondContact O-N 3.03Å; E36-R40 WeakPolarHBondContact O-CB 3.47Å; E36-R40 VanDerWaalsContact O-CG 3.29Å; E36-R40 WeakPolarHBondContact O-CG 3.36Å; E36-R40 PolarHBondContact O-N 3.31Å; E36-R40 IonicContact OE1-CZ 2.69Å; E36-R40 IonicContact OE1-NE 3.68Å; E36-R40 PolarHBondContact OE1-NE 3.46Å; E36-R40 IonicContact OE1-NH2 3.74Å; E36-R40 PolarHBondContact OE1-NH2 2.65Å
37	Y	69.5	Low	63.2	Low	131 Å²	131	92 Å²	92	51%	0.514	47%	0.468	S	S	.	.	H	α-helix	trans	-59.9	-47.7	173.5	176.3	-108.1	0	0	0	111.9	A33 E34 C39 R40 Q41	A33-Y37 WeakPolarHBondContact O-CB 3.29Å; A33-Y37 PolarHBondContact O-N 2.69Å; E34-Y37 PolarHBondContact O-N 2.9Å; Y37-C39 VanDerWaalsContact C-N 3.34Å; Y37-C39 PolarHBondContact O-N 2.57Å; Y37-R40 PolarHBondContact O-N 2.89Å; Y37-Q41 HydrophobicContact CE1-CG 4.19Å; Y37-Q41 HydrophobicContact CE2-CG 4.11Å; Y37-Q41 WeakPolarHBondContact O-CG 3.26Å; Y37-Q41 PolarHBondContact O-N 2.83Å; Y37-Q41 PolarHBondContact OH-NE2 2.92Å
38	L	61.3	Low	64	Low	104 Å²	104	94.5 Å²	94.5	55%	0.545	48%	0.478	S	S	.	.	H	α-helix	trans	-62	-39.3	175.9	-71.3	170	0	0	0	112.3	E34 M35 Q41 A42	E34-L38 WeakPolarHBondContact O-CG 3.49Å; E34-L38 PolarHBondContact O-N 2.9Å; M35-L38 PolarHBondContact O-N 3.16Å; L38-Q41 PolarHBondContact O-N 3.49Å; L38-A42 WeakPolarHBondContact O-CB 3.4Å; L38-A42 PolarHBondContact O-N 2.82Å
39	C	57.2	Low	64.4	Low	74 Å²	74	94.2 Å²	94.2	50%	0.5	48%	0.483	S	S	.	.	H	α-helix	trans	-63.9	-42.9	174.1	-69.1	0	0	0	0	112	M35 E36 Y37 Q41 A42 I43	M35-C39 WeakPolarHBondContact O-CB 3.26Å; M35-C39 PolarHBondContact O-N 2.97Å; M35-C39 PolarHBondContact O-SG 3.44Å; E36-C39 PolarHBondContact O-N 3.03Å; Y37-C39 VanDerWaalsContact C-N 3.34Å; Y37-C39 PolarHBondContact O-N 2.57Å; C39-Q41 VanDerWaalsContact C-N 3.34Å; C39-Q41 PolarHBondContact O-N 3.38Å; C39-A42 PolarHBondContact O-N 3.03Å; C39-I43 WeakPolarHBondContact O-CG1 3.48Å; C39-I43 PolarHBondContact O-N 2.88Å
40	R	68	Low	65	Low	150 Å²	150	89.8 Å²	89.8	57%	0.566	46%	0.46	S	S	*	.	H	α-helix	trans	-61.6	-41.2	175.4	-73.6	168.4	176.9	-101.9	3.8	111.6	E36 Y37 I43 N44	E36-R40 WeakPolarHBondContact O-CB 3.47Å; E36-R40 VanDerWaalsContact O-CG 3.29Å; E36-R40 WeakPolarHBondContact O-CG 3.36Å; E36-R40 PolarHBondContact O-N 3.31Å; E36-R40 IonicContact OE1-CZ 2.69Å; E36-R40 IonicContact OE1-NE 3.68Å; E36-R40 PolarHBondContact OE1-NE 3.46Å; E36-R40 IonicContact OE1-NH2 3.74Å; E36-R40 PolarHBondContact OE1-NH2 2.65Å; Y37-R40 PolarHBondContact O-N 2.89Å; R40-I43 PolarHBondContact O-N 2.8Å; R40-N44 PolarHBondContact O-N 3.01Å
41	Q	68.8	Low	65.3	Low	76 Å²	76	88.4 Å²	88.4	36%	0.355	47%	0.47	S	S	.	.	H	α-helix	trans	-66.8	-41.6	174.6	-66.7	-65.6	13.3	0	0	112.4	Y37 L38 C39 I43 N44 C45	Y37-Q41 HydrophobicContact CE1-CG 4.19Å; Y37-Q41 HydrophobicContact CE2-CG 4.11Å; Y37-Q41 WeakPolarHBondContact O-CG 3.26Å; Y37-Q41 PolarHBondContact O-N 2.83Å; Y37-Q41 PolarHBondContact OH-NE2 2.92Å; L38-Q41 PolarHBondContact O-N 3.49Å; C39-Q41 VanDerWaalsContact C-N 3.34Å; C39-Q41 PolarHBondContact O-N 3.38Å; Q41-I43 VanDerWaalsContact C-N 3.33Å; Q41-I43 PolarHBondContact O-N 2.89Å; Q41-N44 PolarHBondContact O-N 2.71Å; Q41-N44 VanDerWaalsContact O-N 3.14Å; Q41-C45 PolarHBondContact O-N 3.27Å; Q41-C45 PolarHBondContact O-SG 3.22Å; Q41-C45 VanDerWaalsContact O-SG 3.41Å
42	A	65.4	Low	65.9	Low	54 Å²	54	93.4 Å²	93.4	45%	0.446	49%	0.487	S	S	.	.	H	α-helix	trans	-60.4	-40.9	174.7	0	0	0	0	0	112.4	L38 C39 C45 L46	L38-A42 WeakPolarHBondContact O-CB 3.4Å; L38-A42 PolarHBondContact O-N 2.82Å; C39-A42 PolarHBondContact O-N 3.03Å; A42-C45 PolarHBondContact O-N 3.28Å; A42-L46 PolarHBondContact O-N 3.45Å
43	I	70.5	Confident	66.2	Low	88 Å²	88	95.2 Å²	95.2	45%	0.451	49%	0.49	S	S	.	.	H	α-helix	trans	-63.6	-40	173.8	-72	159.8	0	0	0	111.4	C39 R40 Q41 L46 K47	C39-I43 WeakPolarHBondContact O-CG1 3.48Å; C39-I43 PolarHBondContact O-N 2.88Å; R40-I43 PolarHBondContact O-N 2.8Å; Q41-I43 VanDerWaalsContact C-N 3.33Å; Q41-I43 PolarHBondContact O-N 2.89Å; I43-L46 PolarHBondContact O-N 2.99Å; I43-K47 HydrophobicContact CG2-CD 4.32Å; I43-K47 WeakPolarHBondContact O-CG 3.47Å; I43-K47 PolarHBondContact O-N 3.48Å
44	N	69.4	Low	65.8	Low	72 Å²	72	99.9 Å²	99.9	39%	0.385	50%	0.502	S	S	.	.	H	α-helix	trans	-66.1	-42.6	175.7	-72.8	-19.9	0	0	0	111.9	R40 Q41 L46 K47 I48	R40-N44 PolarHBondContact O-N 3.01Å; Q41-N44 PolarHBondContact O-N 2.71Å; Q41-N44 VanDerWaalsContact O-N 3.14Å; N44-L46 VanDerWaalsContact C-N 3.33Å; N44-L46 PolarHBondContact O-N 3.19Å; N44-K47 PolarHBondContact O-N 3.47Å; N44-I48 VanDerWaalsContact O-CG1 3.31Å; N44-I48 WeakPolarHBondContact O-CG1 3.45Å; N44-I48 PolarHBondContact O-N 2.8Å
45	C	67.5	Low	65.6	Low	69 Å²	69	98.5 Å²	98.5	47%	0.466	50%	0.497	S	S	.	.	H	α-helix	trans	-58.9	-43.2	172.1	-70.1	0	0	0	0	111.9	Q41 A42 I48 I49	Q41-C45 PolarHBondContact O-N 3.27Å; Q41-C45 PolarHBondContact O-SG 3.22Å; Q41-C45 VanDerWaalsContact O-SG 3.41Å; A42-C45 PolarHBondContact O-N 3.28Å; C45-I48 PolarHBondContact O-N 3.17Å; C45-I49 VanDerWaalsContact O-CG1 3.27Å; C45-I49 WeakPolarHBondContact O-CG1 3.32Å; C45-I49 PolarHBondContact O-N 3.45Å
46	L	68.9	Low	65.4	Low	107 Å²	107	100.9 Å²	100.9	56%	0.56	51%	0.511	S	S	*	.	H	α-helix	trans	-60.5	-42.8	173.9	-94.6	157.5	0	0	0	112.6	A42 I43 N44 I49 A50	A42-L46 PolarHBondContact O-N 3.45Å; I43-L46 PolarHBondContact O-N 2.99Å; N44-L46 VanDerWaalsContact C-N 3.33Å; N44-L46 PolarHBondContact O-N 3.19Å; L46-I49 PolarHBondContact O-N 3.41Å; L46-A50 VanDerWaalsContact O-CB 3.29Å; L46-A50 WeakPolarHBondContact O-CB 3.42Å; L46-A50 PolarHBondContact O-N 3.48Å
47	K	70.5	Confident	65.3	Low	119 Å²	119	100.8 Å²	100.8	52%	0.517	51%	0.514	S	S	.	.	H	α-helix	trans	-63.7	-39.7	174.3	-72.6	172.1	-180	177.4	0	112.5	I43 N44 A50 C51 L57	I43-K47 HydrophobicContact CG2-CD 4.32Å; I43-K47 WeakPolarHBondContact O-CG 3.47Å; I43-K47 PolarHBondContact O-N 3.48Å; N44-K47 PolarHBondContact O-N 3.47Å; K47-A50 PolarHBondContact O-N 2.95Å; K47-C51 VanDerWaalsContact O-CB 3.27Å; K47-C51 WeakPolarHBondContact O-CB 3.44Å; K47-C51 PolarHBondContact O-N 3.11Å; K47-L57 HydrophobicContact CG-CD1 4.42Å
48	I	72.3	Confident	63.9	Low	115 Å²	115	100.9 Å²	100.9	59%	0.59	52%	0.523	S	S	*	.	H	α-helix	trans	-65.2	-43.9	176	-68.9	163.2	0	0	0	110.5	N44 C45 K52	N44-I48 VanDerWaalsContact O-CG1 3.31Å; N44-I48 WeakPolarHBondContact O-CG1 3.45Å; N44-I48 PolarHBondContact O-N 2.8Å; C45-I48 PolarHBondContact O-N 3.17Å; I48-K52 VanDerWaalsContact O-CB 3.24Å; I48-K52 WeakPolarHBondContact O-CB 3.29Å; I48-K52 PolarHBondContact O-N 2.92Å
49	I	70.2	Confident	63	Low	88 Å²	88	101.6 Å²	101.6	45%	0.451	53%	0.534	S	S	.	.	H	α-helix	trans	-62.9	-46.7	175.4	-68.8	163.5	0	0	0	110.5	C45 L46 C51 K52 H53	C45-I49 VanDerWaalsContact O-CG1 3.27Å; C45-I49 WeakPolarHBondContact O-CG1 3.32Å; C45-I49 PolarHBondContact O-N 3.45Å; L46-I49 PolarHBondContact O-N 3.41Å; I49-C51 PolarHBondContact O-N 3.35Å; I49-K52 PolarHBondContact O-N 2.99Å; I49-H53 WeakPolarHBondContact O-CB 3.27Å; I49-H53 PolarHBondContact O-CD2 2.99Å; I49-H53 VanDerWaalsContact O-CD2 3.3Å; I49-H53 PolarHBondContact O-N 2.93Å
50	A	69.2	Low	61.8	Low	7 Å²	7	106.4 Å²	106.4	6%	0.058	55%	0.549	C	S	.	.	H	α-helix	trans	-60.6	-45.9	178.6	0	0	0	0	0	112.1	L46 K47 H53 Q54 I55 L57	L46-A50 VanDerWaalsContact O-CB 3.29Å; L46-A50 WeakPolarHBondContact O-CB 3.42Å; L46-A50 PolarHBondContact O-N 3.48Å; K47-A50 PolarHBondContact O-N 2.95Å; A50-H53 CarbonylContact O-C 3.53Å; A50-H53 PolarHBondContact O-N 2.81Å; A50-Q54 WeakPolarHBondContact O-CA 3.29Å; A50-Q54 PolarHBondContact O-N 3.4Å; A50-I55 HydrophobicContact CB-CB 4.16Å; A50-I55 PolarHBondContact O-N 3.4Å; A50-L57 HydrophobicContact CB-CD1 3.69Å; A50-L57 HydrophobicContact CB-CD2 4.15Å; A50-L57 HydrophobicContact CB-CG 3.86Å
51	C	68.1	Low	60.2	Low	107 Å²	107	108.6 Å²	108.6	72%	0.723	56%	0.562	S	S	*	*	H	α-helix	trans	-61.8	-43.5	175.2	-169.7	0	0	0	0	112	K47 I49 H53	K47-C51 VanDerWaalsContact O-CB 3.27Å; K47-C51 WeakPolarHBondContact O-CB 3.44Å; K47-C51 PolarHBondContact O-N 3.11Å; I49-C51 PolarHBondContact O-N 3.35Å; C51-H53 VanDerWaalsContact C-N 3.3Å; C51-H53 PolarHBondContact O-N 2.84Å
52	K	69.5	Low	58.3	Low	164 Å²	164	114.5 Å²	114.5	71%	0.713	59%	0.587	S	S	*	*	H	α-helix	trans	-63.7	-30.9	177	-177.7	179.1	178.6	-177.3	0	113.5	I48 I49	I48-K52 VanDerWaalsContact O-CB 3.24Å; I48-K52 WeakPolarHBondContact O-CB 3.29Å; I48-K52 PolarHBondContact O-N 2.92Å; I49-K52 PolarHBondContact O-N 2.99Å
53	H	67.1	Low	56.5	Low	116 Å²	116	119.4 Å²	119.4	54%	0.537	61%	0.605	S	S	.	*	H	α-helix	trans	-110.1	9.6	-175.1	-71.1	-83.6	0	0	0	114.2	I49 A50 C51 I55	I49-H53 WeakPolarHBondContact O-CB 3.27Å; I49-H53 PolarHBondContact O-CD2 2.99Å; I49-H53 VanDerWaalsContact O-CD2 3.3Å; I49-H53 PolarHBondContact O-N 2.93Å; A50-H53 CarbonylContact O-C 3.53Å; A50-H53 PolarHBondContact O-N 2.81Å; C51-H53 VanDerWaalsContact C-N 3.3Å; C51-H53 PolarHBondContact O-N 2.84Å; H53-I55 HydrophobicContact CB-CD1 3.91Å; H53-I55 HydrophobicContact CB-CG1 3.87Å; H53-I55 PolarHBondContact O-N 3.39Å
54	Q	56.8	Low	54.6	Low	156 Å²	156	120.7 Å²	120.7	73%	0.729	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	52.8	34.9	-177.1	-59.3	-178.5	-2.9	0	0	113.6	A50 D56	A50-Q54 WeakPolarHBondContact O-CA 3.29Å; A50-Q54 PolarHBondContact O-N 3.4Å; Q54-D56 PolarHBondContact O-N 3.08Å
55	I	54.3	Low	52.5	Low	93 Å²	93	123 Å²	123	48%	0.477	64%	0.641	S	S	.	*			trans	-83.7	112.1	177.1	-54.5	173.3	0	0	0	107.8	A50 H53 L57	A50-I55 HydrophobicContact CB-CB 4.16Å; A50-I55 PolarHBondContact O-N 3.4Å; H53-I55 HydrophobicContact CB-CD1 3.91Å; H53-I55 HydrophobicContact CB-CG1 3.87Å; H53-I55 PolarHBondContact O-N 3.39Å; I55-L57 PolarHBondContact O-N 2.95Å
56	D	49.7	Very low	50.5	Low	130 Å²	130	125.3 Å²	125.3	70%	0.695	65%	0.653	S	S	*	*			trans	-68.9	127.2	171.2	-168.7	-8.5	0	0	0	110	Q54 N58	Q54-D56 PolarHBondContact O-N 3.08Å; D56-N58 PolarHBondContact OD1-N 2.97Å
57	L	56.5	Low	48.5	Very low	97 Å²	97	131 Å²	131	51%	0.508	67%	0.666	S	S	.	*			trans	-95.9	-1.3	-179.7	-67.2	174.9	0	0	0	112.9	K47 A50 I55 P59	K47-L57 HydrophobicContact CG-CD1 4.42Å; A50-L57 HydrophobicContact CB-CD1 3.69Å; A50-L57 HydrophobicContact CB-CD2 4.15Å; A50-L57 HydrophobicContact CB-CG 3.86Å; I55-L57 PolarHBondContact O-N 2.95Å; L57-P59 VanDerWaalsContact C-CD 3.4Å; L57-P59 VanDerWaalsContact O-CD 3.28Å; L57-P59 WeakPolarHBondContact O-CD 3.48Å
58	N	41.7	Very low	46.3	Very low	133 Å²	133	132.4 Å²	132.4	71%	0.711	68%	0.678	S	S	*	*			trans	-117.7	67.9	-173.4	-79.8	-11.9	0	0	0	115.4	D56 E60	D56-N58 PolarHBondContact OD1-N 2.97Å; N58-E60 PolarHBondContact O-N 3.23Å; N58-E60 VanDerWaalsContact O-N 3.11Å
59	P	42.2	Very low	44.1	Very low	118 Å²	118	133.3 Å²	133.3	77%	0.766	68%	0.683	S	S	*	*			trans	-83.8	69.5	169.9	35.5	-34.9	0	0	0	112.6	L57 K61	L57-P59 VanDerWaalsContact C-CD 3.4Å; L57-P59 VanDerWaalsContact O-CD 3.28Å; L57-P59 WeakPolarHBondContact O-CD 3.48Å; P59-K61 PolarHBondContact O-N 2.93Å
60	E	31.5	Very low	42	Very low	175 Å²	175	134.3 Å²	134.3	82%	0.818	69%	0.693	S	S	*	*			trans	-67.6	90	170.5	-76.4	-162.2	147.4	0	0	112	N58	N58-E60 PolarHBondContact O-N 3.23Å; N58-E60 VanDerWaalsContact O-N 3.11Å
61	K	34	Very low	40	Very low	196 Å²	196	141.1 Å²	141.1	85%	0.852	73%	0.727	S	S	*	*	S	Bend	trans	-160.1	115.2	159.1	-101.5	125.6	-163	165.4	0	114	P59	P59-K61 PolarHBondContact O-N 2.93Å
62	K	29.4	Very low	38	Very low	201 Å²	201	142.5 Å²	142.5	87%	0.874	73%	0.727	S	S	*	*			trans	60.4	73.8	159	-61.7	-174.8	175.8	-178.1	0	117.1
63	L	27.6	Very low	36	Very low	157 Å²	157	146.3 Å²	146.3	82%	0.822	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-70.9	131.6	157	-130	75.9	0	0	0	110.7
64	P	29.3	Very low	34.1	Very low	114 Å²	114	145.3 Å²	145.3	74%	0.74	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-72.5	148.5	160.6	-13.6	30	0	0	0	110.6	V66	P64-V66 PolarHBondContact O-N 2.97Å
65	S	26.6	Very low	32.8	Very low	121 Å²	121	142.2 Å²	142.2	85%	0.846	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-59.8	125	-170.1	-49.8	0	0	0	0	114.4	R67	S65-R67 PolarHBondContact O-N 3.28Å
66	V	25.3	Very low	31.5	Very low	118 Å²	118	143.7 Å²	143.7	72%	0.715	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-63.4	121.2	169.4	178.4	0	0	0	0	109.5	P64 I68	P64-V66 PolarHBondContact O-N 2.97Å; V66-I68 PolarHBondContact O-N 3.43Å
67	R	25.8	Very low	30.7	Very low	225 Å²	225	145.3 Å²	145.3	85%	0.849	77%	0.765	S	S	*	*			trans	-85.1	104.8	169.7	-77.6	-173.8	171.5	-169.7	-3.2	109.8	S65 I69	S65-R67 PolarHBondContact O-N 3.28Å; R67-I69 PolarHBondContact O-N 2.85Å
68	I	25.7	Very low	29.4	Very low	149 Å²	149	149.9 Å²	149.9	76%	0.764	78%	0.783	S	S	*	*			trans	-70.2	117.2	166.1	-57.6	173.8	0	0	0	107.6	V66	V66-I68 PolarHBondContact O-N 3.43Å
69	I	26.9	Very low	28.8	Very low	134 Å²	134	149.3 Å²	149.3	69%	0.687	79%	0.79	S	S	*	*			trans	-107.7	97.6	174.2	-58.3	-179.8	0	0	0	108.4	R67 I71	R67-I69 PolarHBondContact O-N 2.85Å; I69-I71 HydrophobicContact CG2-CG1 4.03Å; I69-I71 PolarHBondContact O-N 2.9Å
70	T	24.5	Very low	28.2	Very low	110 Å²	110	148.3 Å²	148.3	68%	0.675	79%	0.785	S	S	*	*			trans	-75.2	103.7	174.9	-50.7	0	0	0	0	109.9	N72	T70-N72 PolarHBondContact O-N 3.32Å
71	I	28.4	Very low	28.1	Very low	149 Å²	149	147.9 Å²	147.9	76%	0.764	78%	0.783	S	S	*	*			trans	-89	93.6	176.4	-55.6	-178.9	0	0	0	109.5	I69 R73	I69-I71 HydrophobicContact CG2-CG1 4.03Å; I69-I71 PolarHBondContact O-N 2.9Å; I71-R73 PolarHBondContact O-N 3.26Å
72	N	25.9	Very low	28	Very low	137 Å²	137	145.2 Å²	145.2	73%	0.733	78%	0.778	S	S	*	*			trans	-68.9	119	170	-73.1	-20.6	0	0	0	110.2	T70 A74	T70-N72 PolarHBondContact O-N 3.32Å; N72-A74 PolarHBondContact O-N 2.96Å; N72-A74 VanDerWaalsContact O-N 3.12Å
73	R	26	Very low	28	Very low	243 Å²	243	141.8 Å²	141.8	92%	0.917	78%	0.777	S	S	*	*			trans	-74.1	94.5	163.4	-91.4	-171.6	166.5	120.6	-0.1	109.5	I71 S75	I71-R73 PolarHBondContact O-N 3.26Å; R73-S75 PolarHBondContact O-N 3.33Å
74	A	28	Very low	28.1	Very low	95 Å²	95	138.8 Å²	138.8	79%	0.785	77%	0.774	S	S	*	*			trans	-72.5	114.2	164.8	0	0	0	0	0	109.3	N72	N72-A74 PolarHBondContact O-N 2.96Å; N72-A74 VanDerWaalsContact O-N 3.12Å
75	S	29.1	Very low	28	Very low	91 Å²	91	140.8 Å²	140.8	64%	0.636	78%	0.776	S	S	*	*			trans	-85.4	110	171.7	-167.7	0	0	0	0	109.9	R73 H77	R73-S75 PolarHBondContact O-N 3.33Å; S75-H77 PolarHBondContact O-N 2.98Å; S75-H77 PolarHBondContact OG-CD2 2.89Å; S75-H77 PolarHBondContact OG-NE2 2.94Å
76	C	28.2	Very low	28.1	Very low	124 Å²	124	142.1 Å²	142.1	84%	0.838	77%	0.768	S	S	*	*			trans	-88.5	78.6	174.1	53.7	0	0	0	0	110.6	H78	C76-H78 PolarHBondContact O-N 2.63Å
77	H	32.3	Very low	28.2	Very low	164 Å²	164	144.7 Å²	144.7	76%	0.759	77%	0.77	S	S	*	*			trans	-71.5	121.6	169.4	-74.7	-82.8	0	0	0	110.7	S75 S79	S75-H77 PolarHBondContact O-N 2.98Å; S75-H77 PolarHBondContact OG-CD2 2.89Å; S75-H77 PolarHBondContact OG-NE2 2.94Å; H77-S79 PolarHBondContact O-N 2.8Å
78	H	28.9	Very low	28.2	Very low	193 Å²	193	139.3 Å²	139.3	89%	0.894	77%	0.767	S	S	*	*			trans	-70.8	112.6	158.4	-82	-80.5	0	0	0	109.5	C76	C76-H78 PolarHBondContact O-N 2.63Å
79	S	29.5	Very low	28.3	Very low	122 Å²	122	141.6 Å²	141.6	85%	0.853	77%	0.774	S	S	*	*			trans	-164.2	170.6	144.1	-159	0	0	0	0	110.1	H77	H77-S79 PolarHBondContact O-N 2.8Å
80	S	28.8	Very low	28.3	Very low	96 Å²	96	144.2 Å²	144.2	67%	0.671	78%	0.781	S	S	*	*			trans	-102.4	159.4	-168.4	58.1	0	0	0	0	114.9
81	H	30.2	Very low	28.5	Very low	166 Å²	166	148 Å²	148	77%	0.769	79%	0.79	S	S	*	*			trans	79.1	142	153.6	-96.5	-82	0	0	0	122.2
82	N	32.7	Very low	28.3	Very low	141 Å²	141	150.2 Å²	150.2	75%	0.754	80%	0.795	S	S	*	*			trans	68.8	113.9	157.7	-64.3	0.2	0	0	0	119.6
83	P	29.1	Very low	28.3	Very low	129 Å²	129	152.8 Å²	152.8	84%	0.838	80%	0.799	S	S	*	*			trans	-97.2	126.3	167.6	35	-28.2	0	0	0	112.5
84	A	28.9	Very low	28.3	Very low	94 Å²	94	149.2 Å²	149.2	78%	0.777	79%	0.793	S	S	*	*			trans	-168.7	150.7	152.8	0	0	0	0	0	113.1
85	M	27.8	Very low	28.2	Very low	156 Å²	156	151.3 Å²	151.3	77%	0.768	79%	0.79	S	S	*	*			trans	61.6	116.1	151.3	-62.6	-113.9	114.4	0	0	120.8
86	H	29.1	Very low	28.1	Very low	148 Å²	148	152.9 Å²	152.9	69%	0.685	79%	0.79	S	S	*	*			trans	62.8	151.1	134.4	-75.3	-138.8	0	0	0	119.7
87	K	27.4	Very low	27.9	Very low	172 Å²	172	152.5 Å²	152.5	75%	0.748	78%	0.784	S	S	*	*			cis	-169	157.6	-31.9	-130.3	179.4	-176.9	177.4	0	105.5
88	S	24.9	Very low	27.6	Very low	113 Å²	113	151.5 Å²	151.5	79%	0.79	78%	0.783	S	S	*	*			trans	50.9	105.7	168.3	57.7	0	0	0	0	118.7
89	E	27.7	Very low	27.4	Very low	196 Å²	196	147.1 Å²	147.1	92%	0.916	77%	0.769	S	S	*	*			trans	-146.8	156.9	138.9	-134.2	164.2	-149.4	0	0	111.6
90	K	27.5	Very low	27.2	Very low	190 Å²	190	148 Å²	148	83%	0.826	77%	0.772	S	S	*	*			trans	-97.9	96.3	-165.4	-65.3	174.6	-177.2	171.3	0	111.9	F92	K90-F92 PolarHBondContact O-N 2.91Å
91	H	27.4	Very low	27.3	Very low	188 Å²	188	147.3 Å²	147.3	87%	0.87	77%	0.767	S	S	*	*			trans	-74.4	111	167.4	-89.5	-69.7	0	0	0	111.7
92	F	26	Very low	27.4	Very low	197 Å²	197	144.7 Å²	144.7	86%	0.864	76%	0.758	S	S	*	*			trans	-59.1	135.7	166.4	-92.9	-106.3	0	0	0	110.6	K90	K90-F92 PolarHBondContact O-N 2.91Å
93	K	25.6	Very low	27.3	Very low	191 Å²	191	142.9 Å²	142.9	83%	0.83	75%	0.748	S	S	*	*			trans	-91.1	95.4	167.5	-73.4	-177.2	177.7	178.7	0	108.8	I95	K93-I95 PolarHBondContact O-N 2.87Å
94	E	26.4	Very low	27.6	Very low	167 Å²	167	142.5 Å²	142.5	78%	0.78	75%	0.746	S	S	*	*			trans	-74.6	104.3	172.8	-167.6	175.5	-154.5	0	0	110	I96	E94-I96 HydrophobicContact CG-CG1 3.97Å; E94-I96 PolarHBondContact O-N 3.01Å; E94-I96 VanDerWaalsContact O-N 3.15Å
95	I	24.8	Very low	27.8	Very low	140 Å²	140	144.5 Å²	144.5	72%	0.718	74%	0.743	S	S	*	*			trans	-86.8	80.9	178.6	-58.6	172.6	0	0	0	108	K93 T97	K93-I95 PolarHBondContact O-N 2.87Å; I95-T97 PolarHBondContact O-N 2.83Å; I95-T97 PolarHBondContact O-OG1 3.4Å
96	I	26.8	Very low	28.8	Very low	123 Å²	123	138.8 Å²	138.8	63%	0.631	72%	0.715	S	S	*	*			trans	-64.4	100.2	174.6	-57	-178.8	0	0	0	108.6	E94 I98	E94-I96 HydrophobicContact CG-CG1 3.97Å; E94-I96 PolarHBondContact O-N 3.01Å; E94-I96 VanDerWaalsContact O-N 3.15Å; I96-I98 HydrophobicContact CG2-CG1 4.05Å; I96-I98 PolarHBondContact O-N 3.34Å
97	T	23.3	Very low	30.2	Very low	116 Å²	116	133.6 Å²	133.6	71%	0.712	69%	0.692	S	S	*	*			trans	-79.3	86.4	179	-60	0	0	0	0	108.7	I95 T99	I95-T97 PolarHBondContact O-N 2.83Å; I95-T97 PolarHBondContact O-OG1 3.4Å; T97-T99 PolarHBondContact O-N 3.28Å
98	I	27.4	Very low	31.9	Very low	144 Å²	144	125.7 Å²	125.7	74%	0.738	66%	0.658	S	S	*	*			trans	-64.9	106.1	179.3	-60.6	175.9	0	0	0	109	I96	I96-I98 HydrophobicContact CG2-CG1 4.05Å; I96-I98 PolarHBondContact O-N 3.34Å
99	T	25.1	Very low	33.9	Very low	101 Å²	101	122.4 Å²	122.4	62%	0.62	63%	0.628	S	S	*	*			trans	-62.8	146.4	168	46.7	0	0	0	0	109.8	T97 S101	T97-T99 PolarHBondContact O-N 3.28Å; T99-S101 PolarHBondContact O-N 3.48Å; T99-S101 PolarHBondContact O-OG 3.1Å
100	P	24.4	Very low	35.6	Very low	140 Å²	140	116.2 Å²	116.2	91%	0.909	60%	0.602	S	S	*	*			trans	-74.3	73.6	-170.6	30.8	-36.6	0	0	0	111.9
101	S	30.3	Very low	37.5	Very low	82 Å²	82	109.6 Å²	109.6	57%	0.573	58%	0.575	S	S	*	*			trans	-93.1	123.3	176.1	54.7	0	0	0	0	110.5	T99	T99-S101 PolarHBondContact O-N 3.48Å; T99-S101 PolarHBondContact O-OG 3.1Å
102	I	32.9	Very low	39.9	Very low	110 Å²	110	104.8 Å²	104.8	56%	0.564	56%	0.555	S	S	*	*			trans	30.2	94.8	156.4	-50.2	169.8	0	0	0	114.2	P104 T578	I102-P104 WeakPolarHBondContact O-CD 3.48Å; I102-P104 WeakPolarHBondContact O-CG 3.08Å; I102-T578 HydrophobicContact CG1-CG2 4.46Å; I102-T578 HydrophobicContact CG2-CG2 4.25Å
103	N	30.5	Very low	42.7	Very low	104 Å²	104	97.8 Å²	97.8	56%	0.556	53%	0.527	S	S	*	.			trans	-47.4	102.7	-178.8	-165.8	2.2	0	0	0	112.6	L105	N103-L105 PolarHBondContact O-N 3.21Å
104	P	34.8	Very low	45.5	Very low	120 Å²	120	91.1 Å²	91.1	78%	0.779	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	5.5	-167.3	-19.2	33.1	0	0	0	115	I102	I102-P104 WeakPolarHBondContact O-CD 3.48Å; I102-P104 WeakPolarHBondContact O-CG 3.08Å
105	L	34.5	Very low	48.4	Very low	137 Å²	137	85.5 Å²	85.5	72%	0.717	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	8.9	-165.9	-60.4	176.3	0	0	0	113.7	N103 N107	N103-L105 PolarHBondContact O-N 3.21Å; L105-N107 PolarHBondContact O-N 3Å
106	I	48.9	Very low	51.5	Low	35 Å²	35	79 Å²	79	18%	0.179	44%	0.444	C	S	.	.			trans	-75.3	77.4	164.3	-57.3	179	0	0	0	108	L111 D575 W579	I106-L111 HydrophobicContact CG2-CD1 3.81Å; I106-L111 HydrophobicContact CG2-CD2 4.01Å; I106-L111 HydrophobicContact CG2-CG 4.05Å; I106-D575 HydrophobicContact CD1-CB 3.92Å; I106-W579 HydrophobicContact CB-CB 4.34Å; I106-W579 HydrophobicContact CB-CG 4.09Å; I106-W579 HydrophobicContact CD1-CB 4.21Å; I106-W579 HydrophobicContact CG2-CB 4.1Å; I106-W579 HydrophobicContact CG2-CD2 4.03Å; I106-W579 HydrophobicContact CG2-CG 3.65Å; I106-W579 PolarHBondContact O-NE1 2.89Å
107	N	57.6	Low	54.6	Low	39 Å²	39	73.2 Å²	73.2	21%	0.209	42%	0.415	C	S	.	.			trans	-77.1	132	166.7	-158.9	-4.1	0	0	0	108.1	L105 W109 N110 F173	L105-N107 PolarHBondContact O-N 3Å; N107-W109 PolarHBondContact O-N 3.46Å; N107-W109 VanDerWaalsContact O-N 3.15Å; N107-N110 HydrophobicContact CB-CB 4.33Å; N107-N110 PolarHBondContact O-N 3.43Å; N107-F173 PolarHBondContact ND2-O 3.28Å
108	L	63.9	Low	57.9	Low	6 Å²	6	71.5 Å²	71.5	3%	0.031	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-53.9	-39	-179.1	175.2	58.9	0	0	0	111.3	N110 L111 V116 W233 W579	L108-N110 PolarHBondContact O-N 3.02Å; L108-L111 PolarHBondContact O-N 2.89Å; L108-V116 HydrophobicContact CD1-CG1 4.4Å; L108-V116 HydrophobicContact CD1-CG2 4.26Å; L108-W233 HydrophobicContact CD2-CH2 4.21Å; L108-W233 HydrophobicContact CD2-CZ2 3.5Å; L108-W233 VanDerWaalsContact CD2-CZ2 3.5Å; L108-W579 HydrophobicContact CB-CZ2 4.05Å; L108-W579 HydrophobicContact CD1-CH2 3.95Å; L108-W579 HydrophobicContact CD1-CZ2 4.34Å
109	W	65.5	Low	61.1	Low	44 Å²	44	65.2 Å²	65.2	17%	0.167	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-70.4	-10.6	-178.7	-37	114.4	0	0	0	114.1	N107 I175 C229 T232	N107-W109 PolarHBondContact O-N 3.46Å; N107-W109 VanDerWaalsContact O-N 3.15Å; W109-I175 HydrophobicContact CB-CG1 4.06Å; W109-I175 HydrophobicContact CB-CG2 4.39Å; W109-I175 HydrophobicContact CD2-CD1 3.45Å; W109-I175 VanDerWaalsContact CD2-CD1 3.45Å; W109-I175 HydrophobicContact CD2-CG1 3.98Å; W109-I175 VanDerWaalsContact CE2-CD1 3.48Å; W109-I175 HydrophobicContact CE3-CD1 3.98Å; W109-I175 HydrophobicContact CG-CD1 3.65Å; W109-I175 HydrophobicContact CG-CG1 3.58Å; W109-I175 HydrophobicContact CZ2-CD1 4.05Å; W109-I175 HydrophobicContact CZ3-CD1 4.46Å; W109-C229 HydrophobicContact CH2-CB 3.62Å; W109-C229 VanDerWaalsContact CH2-SG 3.55Å; W109-C229 HydrophobicContact CZ2-CB 4.39Å; W109-C229 HydrophobicContact CZ3-CB 4.01Å; W109-T232 HydrophobicContact CE3-CG2 4.32Å; W109-T232 VanDerWaalsContact CZ3-OG1 3.23Å; W109-T232 WeakPolarHBondContact CZ3-OG1 3.45Å
110	N	63	Low	64.4	Low	67 Å²	67	60.5 Å²	60.5	36%	0.358	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-103.7	-5.2	176.2	-68	-18.6	0	0	0	113.1	N107 L108	N107-N110 HydrophobicContact CB-CB 4.33Å; N107-N110 PolarHBondContact O-N 3.43Å; L108-N110 PolarHBondContact O-N 3.02Å
111	L	68.3	Low	67.8	Low	50 Å²	50	53.8 Å²	53.8	26%	0.262	29%	0.294	S	S	.	.	S	Bend	trans	-81.8	149.4	177	-72	176	0	0	0	111.3	I106 L108 L113 V116 F576	I106-L111 HydrophobicContact CG2-CD1 3.81Å; I106-L111 HydrophobicContact CG2-CD2 4.01Å; I106-L111 HydrophobicContact CG2-CG 4.05Å; L108-L111 PolarHBondContact O-N 2.89Å; L111-L113 PolarHBondContact O-N 3.07Å; L111-V116 HydrophobicContact CB-CG2 3.66Å; L111-V116 HydrophobicContact CD1-CG2 3.82Å; L111-V116 HydrophobicContact CG-CG2 4.4Å; L111-F576 HydrophobicContact CD1-CD2 4.04Å; L111-F576 HydrophobicContact CD1-CE2 4.24Å
112	N	78.3	Confident	70.9	Confident	87 Å²	87	50.9 Å²	50.9	47%	0.465	27%	0.273	S	S	.	.			trans	-66.5	121.9	166.9	-179	9.1	0	0	0	109.4	D114 T115 V116	N112-D114 PolarHBondContact O-N 2.87Å; N112-D114 PolarHBondContact OD1-N 3.17Å; N112-T115 WeakPolarHBondContact O-CB 3.32Å; N112-T115 PolarHBondContact O-N 2.93Å; N112-V116 PolarHBondContact O-N 3.41Å
113	L	84.6	Confident	73.8	Confident	50 Å²	50	47 Å²	47	26%	0.262	26%	0.257	S	S	.	.	H	α-helix	trans	-55	-36.1	-179	-52.7	178.6	0	0	0	111.9	L111 V116 A117 T232 D235 I236	L111-L113 PolarHBondContact O-N 3.07Å; L113-V116 PolarHBondContact O-N 3.5Å; L113-A117 PolarHBondContact O-N 3.22Å; L113-T232 HydrophobicContact CD2-CG2 4.43Å; L113-D235 HydrophobicContact CD1-CB 3.98Å; L113-I236 HydrophobicContact CB-CG1 4.16Å; L113-I236 HydrophobicContact CD2-CD1 4.07Å; L113-I236 HydrophobicContact CD2-CG1 3.96Å
114	D	83.8	Confident	77	Confident	52 Å²	52	42.4 Å²	42.4	28%	0.278	23%	0.232	S	C	.	.	H	α-helix	trans	-60.6	-49.7	176	-59.3	-4.8	0	0	0	110.7	N112 V116 A117 E118 R239	N112-D114 PolarHBondContact O-N 2.87Å; N112-D114 PolarHBondContact OD1-N 3.17Å; D114-V116 VanDerWaalsContact C-N 3.33Å; D114-V116 PolarHBondContact O-N 3.43Å; D114-A117 PolarHBondContact O-N 3.5Å; D114-E118 WeakPolarHBondContact O-CG 3.41Å; D114-E118 PolarHBondContact O-N 3.29Å; D114-R239 IonicContact OD1-CZ 3.74Å; D114-R239 IonicContact OD1-NE 3.98Å; D114-R239 PolarHBondContact OD1-NE 3.21Å; D114-R239 IonicContact OD1-NH2 2.85Å; D114-R239 PolarHBondContact OD1-NH2 3.24Å; D114-R239 IonicContact OD2-CZ 2.89Å; D114-R239 IonicContact OD2-NE 2.84Å; D114-R239 IonicContact OD2-NH2 2.9Å; D114-R239 PolarHBondContact OD2-NH2 3.2Å
115	T	86.7	Confident	79.9	Confident	49 Å²	49	38 Å²	38	30%	0.301	20%	0.201	S	C	.	.	H	α-helix	trans	-65	-37.3	179.1	-52.3	0	0	0	0	111	N112 E118 Q119	N112-T115 WeakPolarHBondContact O-CB 3.32Å; N112-T115 PolarHBondContact O-N 2.93Å; T115-E118 PolarHBondContact O-N 3.32Å; T115-Q119 HydrophobicContact CG2-CG 4.24Å; T115-Q119 WeakPolarHBondContact O-CB 3.43Å; T115-Q119 VanDerWaalsContact O-CG 3.26Å; T115-Q119 WeakPolarHBondContact O-CG 3.44Å; T115-Q119 PolarHBondContact O-N 3.11Å
116	V	90.4	Very high	82.8	Confident	3 Å²	3	39.7 Å²	39.7	2%	0.018	20%	0.198	C	C	.	.	H	α-helix	trans	-60.4	-47.7	173	178.2	0	0	0	0	110.9	L108 L111 N112 L113 D114 E118 Q119 L120 I236 F576	L108-V116 HydrophobicContact CD1-CG1 4.4Å; L108-V116 HydrophobicContact CD1-CG2 4.26Å; L111-V116 HydrophobicContact CB-CG2 3.66Å; L111-V116 HydrophobicContact CD1-CG2 3.82Å; L111-V116 HydrophobicContact CG-CG2 4.4Å; N112-V116 PolarHBondContact O-N 3.41Å; L113-V116 PolarHBondContact O-N 3.5Å; D114-V116 VanDerWaalsContact C-N 3.33Å; D114-V116 PolarHBondContact O-N 3.43Å; V116-E118 PolarHBondContact O-N 2.87Å; V116-Q119 PolarHBondContact O-N 2.72Å; V116-L120 HydrophobicContact CG1-CD1 4.03Å; V116-L120 HydrophobicContact CG1-CG 4.44Å; V116-L120 WeakPolarHBondContact O-CB 3.41Å; V116-L120 VanDerWaalsContact O-CG 3.3Å; V116-L120 WeakPolarHBondContact O-CG 3.49Å; V116-L120 PolarHBondContact O-N 2.96Å; V116-I236 HydrophobicContact CB-CD1 4.46Å; V116-I236 HydrophobicContact CG1-CD1 4.02Å; V116-I236 HydrophobicContact CG1-CG1 4.37Å; V116-I236 HydrophobicContact CG1-CG2 4.19Å; V116-F576 HydrophobicContact CB-CE2 4.44Å; V116-F576 HydrophobicContact CG1-CE2 4.17Å; V116-F576 HydrophobicContact CG1-CZ 4.43Å; V116-F576 HydrophobicContact CG2-CE2 4.28Å
117	A	93.4	Very high	85.1	Confident	1 Å²	1	40 Å²	40	1%	0.008	20%	0.2	C	C	.	.	H	α-helix	trans	-64.5	-39.2	178.2	0	0	0	0	0	112.7	L113 D114 T121 R239 L240	L113-A117 PolarHBondContact O-N 3.22Å; D114-A117 PolarHBondContact O-N 3.5Å; A117-T121 WeakPolarHBondContact O-CB 3.4Å; A117-T121 PolarHBondContact O-N 2.92Å; A117-T121 PolarHBondContact O-OG1 3.27Å; A117-R239 HydrophobicContact CB-CB 3.51Å; A117-L240 HydrophobicContact CB-CD2 4.05Å; A117-L240 HydrophobicContact CB-CG 3.95Å; A117-L240 WeakPolarHBondContact O-CD2 3.15Å
118	E	92.6	Very high	86.9	Confident	80 Å²	80	38.3 Å²	38.3	37%	0.374	19%	0.191	S	C	.	.	H	α-helix	trans	-63.3	-47.8	173.7	-73.3	179.4	164.3	0	0	111.8	D114 T115 V116 T121 V122 L570	D114-E118 WeakPolarHBondContact O-CG 3.41Å; D114-E118 PolarHBondContact O-N 3.29Å; T115-E118 PolarHBondContact O-N 3.32Å; V116-E118 PolarHBondContact O-N 2.87Å; E118-T121 CarbonylContact O-C 3.59Å; E118-T121 WeakPolarHBondContact O-CA 3.34Å; E118-T121 WeakPolarHBondContact O-CB 3.38Å; E118-T121 PolarHBondContact O-N 3.21Å; E118-T121 VanDerWaalsContact O-N 3.11Å; E118-V122 WeakPolarHBondContact O-CG2 3.28Å; E118-V122 PolarHBondContact O-N 2.84Å; E118-L570 HydrophobicContact CB-CD1 4.48Å; E118-L570 HydrophobicContact CB-CD2 4.3Å; E118-L570 HydrophobicContact CG-CD2 3.91Å
119	Q	93.7	Very high	88.4	Confident	12 Å²	12	40.9 Å²	40.9	6%	0.056	20%	0.204	C	C	.	.	H	α-helix	trans	-68.5	-36	-178.8	-65.8	-49.9	-55.2	0	0	113.1	T115 V116 T121 V122 A123 R571 E573 F576	T115-Q119 HydrophobicContact CG2-CG 4.24Å; T115-Q119 WeakPolarHBondContact O-CB 3.43Å; T115-Q119 VanDerWaalsContact O-CG 3.26Å; T115-Q119 WeakPolarHBondContact O-CG 3.44Å; T115-Q119 PolarHBondContact O-N 3.11Å; V116-Q119 PolarHBondContact O-N 2.72Å; Q119-T121 VanDerWaalsContact C-N 3.31Å; Q119-V122 PolarHBondContact O-N 3.13Å; Q119-A123 PolarHBondContact O-N 3.26Å; Q119-R571 PolarHBondContact NE2-O 2.97Å; Q119-E573 HydrophobicContact CG-CB 4.48Å; Q119-F576 HydrophobicContact CB-CB 4.42Å; Q119-F576 HydrophobicContact CB-CD1 3.33Å; Q119-F576 HydrophobicContact CB-CD2 4.12Å; Q119-F576 HydrophobicContact CB-CE1 3.45Å; Q119-F576 VanDerWaalsContact CB-CE1 3.45Å; Q119-F576 HydrophobicContact CB-CE2 4.21Å; Q119-F576 HydrophobicContact CB-CG 3.69Å; Q119-F576 HydrophobicContact CB-CZ 3.9Å; Q119-F576 HydrophobicContact CG-CB 4.04Å; Q119-F576 HydrophobicContact CG-CD1 3.91Å; Q119-F576 HydrophobicContact CG-CD2 4.27Å; Q119-F576 HydrophobicContact CG-CE1 4.46Å; Q119-F576 HydrophobicContact CG-CG 3.8Å
120	L	95.1	Very high	89.9	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-62.9	-39.6	169.3	-69.8	175.3	0	0	0	111.3	V116 A123 D124 L158 I236 L240 F576 F580	V116-L120 HydrophobicContact CG1-CD1 4.03Å; V116-L120 HydrophobicContact CG1-CG 4.44Å; V116-L120 WeakPolarHBondContact O-CB 3.41Å; V116-L120 VanDerWaalsContact O-CG 3.3Å; V116-L120 WeakPolarHBondContact O-CG 3.49Å; V116-L120 PolarHBondContact O-N 2.96Å; L120-A123 PolarHBondContact O-N 3.22Å; L120-D124 PolarHBondContact O-N 2.84Å; L120-L158 HydrophobicContact CD1-CD1 3.99Å; L120-L158 HydrophobicContact CD1-CD2 4.18Å; L120-L158 HydrophobicContact CD2-CD1 3.97Å; L120-L158 HydrophobicContact CD2-CD2 4.29Å; L120-I236 HydrophobicContact CD1-CG2 4.34Å; L120-L240 HydrophobicContact CB-CD2 4.27Å; L120-L240 HydrophobicContact CD1-CD1 4.24Å; L120-F576 HydrophobicContact CD2-CE1 4.46Å; L120-F576 HydrophobicContact CD2-CZ 4.16Å; L120-F576 HydrophobicContact CG-CZ 4.22Å; L120-F580 HydrophobicContact CD2-CD2 4.38Å; L120-F580 HydrophobicContact CD2-CE2 3.84Å; L120-F580 HydrophobicContact CD2-CZ 4.1Å
121	T	96	Very high	91.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63.9	-40	174.2	-54.8	0	0	0	0	111.7	A117 E118 Q119 Q125 T243 N245 I361 Y568 L570	A117-T121 WeakPolarHBondContact O-CB 3.4Å; A117-T121 PolarHBondContact O-N 2.92Å; A117-T121 PolarHBondContact O-OG1 3.27Å; E118-T121 CarbonylContact O-C 3.59Å; E118-T121 WeakPolarHBondContact O-CA 3.34Å; E118-T121 WeakPolarHBondContact O-CB 3.38Å; E118-T121 PolarHBondContact O-N 3.21Å; E118-T121 VanDerWaalsContact O-N 3.11Å; Q119-T121 VanDerWaalsContact C-N 3.31Å; T121-Q125 WeakPolarHBondContact O-CB 3.42Å; T121-Q125 PolarHBondContact O-N 2.9Å; T121-T243 PolarHBondContact OG1-OG1 3.33Å; T121-N245 HydrophobicContact CG2-CB 4.28Å; T121-I361 HydrophobicContact CG2-CD1 3.92Å; T121-I361 WeakPolarHBondContact O-CD1 3.31Å; T121-Y568 HydrophobicContact CG2-CD1 3.98Å; T121-Y568 HydrophobicContact CG2-CE1 3.59Å; T121-Y568 HydrophobicContact CG2-CE2 4.16Å; T121-Y568 HydrophobicContact CG2-CG 4.41Å; T121-L570 HydrophobicContact CG2-CD1 3.69Å
122	V	94.6	Very high	92.6	Very high	21 Å²	21	44 Å²	44	13%	0.127	22%	0.22	C	C	.	.	H	α-helix	trans	-64	-43.2	175.1	172.7	0	0	0	0	112.2	E118 Q119 Q125 R126 L570 P572	E118-V122 WeakPolarHBondContact O-CG2 3.28Å; E118-V122 PolarHBondContact O-N 2.84Å; Q119-V122 PolarHBondContact O-N 3.13Å; V122-Q125 PolarHBondContact O-N 2.88Å; V122-R126 PolarHBondContact O-N 3.17Å; V122-R126 VanDerWaalsContact O-N 3.14Å; V122-L570 HydrophobicContact CG2-CB 3.36Å; V122-L570 HydrophobicContact CG2-CD1 4.12Å; V122-L570 HydrophobicContact CG2-CG 4.39Å; V122-P572 HydrophobicContact CG1-CB 3.89Å
123	A	94.8	Very high	93.4	Very high	28 Å²	28	42 Å²	42	23%	0.231	21%	0.209	C	C	.	.	H	α-helix	trans	-63	-47.3	179.4	0	0	0	0	0	111.8	Q119 L120 L127	Q119-A123 PolarHBondContact O-N 3.26Å; L120-A123 PolarHBondContact O-N 3.22Å; A123-L127 PolarHBondContact O-N 3.41Å
124	D	96.7	Very high	93.8	Very high	8 Å²	8	43.9 Å²	43.9	4%	0.043	22%	0.219	C	C	.	.	H	α-helix	trans	-70	-37.6	178.2	-67.2	1.7	0	0	0	112	L120 R126 L127 F128 Q154 N245 A248 I361	L120-D124 PolarHBondContact O-N 2.84Å; D124-R126 VanDerWaalsContact C-N 3.31Å; D124-R126 PolarHBondContact O-N 3.33Å; D124-L127 PolarHBondContact O-N 3.25Å; D124-F128 VanDerWaalsContact O-CB 3.32Å; D124-F128 WeakPolarHBondContact O-CB 3.49Å; D124-F128 PolarHBondContact O-N 3.09Å; D124-Q154 WeakPolarHBondContact OD1-CG 3.37Å; D124-Q154 PolarHBondContact OD1-NE2 2.97Å; D124-N245 PolarHBondContact OD2-ND2 2.94Å; D124-N245 PolarHBondContact OD2-OD1 3.37Å; D124-A248 WeakPolarHBondContact OD2-CB 3.32Å; D124-A248 PolarHBondContact OD2-N 2.91Å; D124-I361 HydrophobicContact CB-CD1 3.63Å; D124-I361 HydrophobicContact CB-CG2 4.23Å
125	Q	95.9	Very high	94.3	Very high	26 Å²	26	42.1 Å²	42.1	12%	0.121	21%	0.21	C	C	.	.	H	α-helix	trans	-58.1	-46.9	178.2	176.4	-164.8	2.5	0	0	110.1	T121 V122 F128 L129 I361 A565 Y568	T121-Q125 WeakPolarHBondContact O-CB 3.42Å; T121-Q125 PolarHBondContact O-N 2.9Å; V122-Q125 PolarHBondContact O-N 2.88Å; Q125-F128 PolarHBondContact O-N 3.07Å; Q125-L129 HydrophobicContact CG-CD1 3.89Å; Q125-L129 HydrophobicContact CG-CG 4.43Å; Q125-L129 WeakPolarHBondContact O-CB 3.27Å; Q125-L129 WeakPolarHBondContact O-CG 3.4Å; Q125-L129 PolarHBondContact O-N 3.04Å; Q125-I361 HydrophobicContact CB-CD1 4.01Å; Q125-A565 PolarHBondContact NE2-O 3.35Å; Q125-Y568 HydrophobicContact CB-CD2 4.36Å; Q125-Y568 HydrophobicContact CG-CD2 3.96Å
126	R	95.3	Very high	94.7	Very high	174 Å²	174	39.8 Å²	39.8	66%	0.657	20%	0.196	S	C	*	.	H	α-helix	trans	-57.5	-54.5	179.8	176.7	177.5	174.3	-178.9	-0.9	110.9	V122 D124 F128 L129 D130	V122-R126 PolarHBondContact O-N 3.17Å; V122-R126 VanDerWaalsContact O-N 3.14Å; D124-R126 VanDerWaalsContact C-N 3.31Å; D124-R126 PolarHBondContact O-N 3.33Å; R126-F128 VanDerWaalsContact C-N 3.29Å; R126-F128 PolarHBondContact O-N 3.33Å; R126-L129 PolarHBondContact O-N 3.25Å; R126-D130 VanDerWaalsContact CG-OD2 3.29Å; R126-D130 WeakPolarHBondContact CG-OD2 3.47Å; R126-D130 IonicContact NE-OD2 3.59Å; R126-D130 PolarHBondContact NE-OD2 3.5Å; R126-D130 WeakPolarHBondContact O-CB 3.02Å; R126-D130 VanDerWaalsContact O-CG 3.27Å; R126-D130 PolarHBondContact O-N 3.44Å
127	L	96.3	Very high	94.9	Very high	42 Å²	42	40.5 Å²	40.5	22%	0.22	20%	0.199	C	C	.	.	H	α-helix	trans	-62.7	-37.1	-178	-66.3	172.1	0	0	0	112.1	A123 D124 D130 M131 A150 Q154	A123-L127 PolarHBondContact O-N 3.41Å; D124-L127 PolarHBondContact O-N 3.25Å; L127-D130 PolarHBondContact O-N 3.49Å; L127-M131 WeakPolarHBondContact O-CB 3.44Å; L127-M131 PolarHBondContact O-N 3.11Å; L127-M131 VanDerWaalsContact O-N 3.11Å; L127-A150 HydrophobicContact CD2-CB 4.06Å; L127-Q154 HydrophobicContact CD1-CB 3.44Å; L127-Q154 VanDerWaalsContact CD1-CB 3.44Å; L127-Q154 HydrophobicContact CD1-CG 3.72Å
128	F	97	Very high	94.9	Very high	3 Å²	3	42.5 Å²	42.5	1%	0.013	21%	0.21	C	C	.	.	H	α-helix	trans	-71.2	-29	177.7	-175.8	-120.4	0	0	0	113.5	D124 Q125 R126 M131 I361 P362 I558 L561 Q562 A565	D124-F128 VanDerWaalsContact O-CB 3.32Å; D124-F128 WeakPolarHBondContact O-CB 3.49Å; D124-F128 PolarHBondContact O-N 3.09Å; Q125-F128 PolarHBondContact O-N 3.07Å; R126-F128 VanDerWaalsContact C-N 3.29Å; R126-F128 PolarHBondContact O-N 3.33Å; F128-M131 HydrophobicContact CD2-CE 3.83Å; F128-M131 HydrophobicContact CE2-CE 3.71Å; F128-I361 HydrophobicContact CB-CG2 4.32Å; F128-I361 HydrophobicContact CD1-CG2 4.44Å; F128-I361 HydrophobicContact CG-CG2 4.36Å; F128-P362 HydrophobicContact CD2-CG 4.31Å; F128-P362 VanDerWaalsContact CE1-CD 3.48Å; F128-P362 HydrophobicContact CE1-CG 4.11Å; F128-P362 HydrophobicContact CE2-CG 3.56Å; F128-P362 HydrophobicContact CZ-CG 3.46Å; F128-P362 VanDerWaalsContact CZ-CG 3.46Å; F128-I558 HydrophobicContact CE2-CG2 3.98Å; F128-I558 HydrophobicContact CZ-CG2 4.25Å; F128-L561 HydrophobicContact CE1-CB 4.09Å; F128-L561 HydrophobicContact CZ-CB 3.84Å; F128-Q562 HydrophobicContact CD1-CG 4.29Å; F128-Q562 HydrophobicContact CE1-CB 4.38Å; F128-Q562 HydrophobicContact CE1-CG 3.82Å; F128-Q562 HydrophobicContact CE2-CG 4.11Å; F128-Q562 HydrophobicContact CZ-CG 3.69Å; F128-Q562 PolarHBondContact O-NE2 3.44Å; F128-A565 HydrophobicContact CD1-CB 3.81Å; F128-A565 HydrophobicContact CE1-CB 4.11Å
129	L	95.5	Very high	95	Very high	59 Å²	59	40.9 Å²	40.9	31%	0.309	20%	0.2	S	C	.	.	H	α-helix	trans	-81	-34.1	171.7	-69.7	177.4	0	0	0	112.9	Q125 R126 M131 Q562 A565 Q566	Q125-L129 HydrophobicContact CG-CD1 3.89Å; Q125-L129 HydrophobicContact CG-CG 4.43Å; Q125-L129 WeakPolarHBondContact O-CB 3.27Å; Q125-L129 WeakPolarHBondContact O-CG 3.4Å; Q125-L129 PolarHBondContact O-N 3.04Å; R126-L129 PolarHBondContact O-N 3.25Å; L129-M131 PolarHBondContact O-N 3.47Å; L129-Q562 HydrophobicContact CD2-CB 4.33Å; L129-Q562 WeakPolarHBondContact CD2-O 3.3Å; L129-A565 HydrophobicContact CD2-CB 3.95Å; L129-A565 HydrophobicContact CG-CB 4.26Å; L129-Q566 HydrophobicContact CD2-CG 3.86Å
130	D	95	Very high	95	Very high	97 Å²	97	40.5 Å²	40.5	52%	0.519	20%	0.199	S	C	.	.	S	Bend	trans	-73.9	-4.9	174	-68.3	-18.7	0	0	0	112.1	R126 L127	R126-D130 VanDerWaalsContact CG-OD2 3.29Å; R126-D130 WeakPolarHBondContact CG-OD2 3.47Å; R126-D130 IonicContact NE-OD2 3.59Å; R126-D130 PolarHBondContact NE-OD2 3.5Å; R126-D130 WeakPolarHBondContact O-CB 3.02Å; R126-D130 VanDerWaalsContact O-CG 3.27Å; R126-D130 PolarHBondContact O-N 3.44Å; L127-D130 PolarHBondContact O-N 3.49Å
131	M	95.4	Very high	94.9	Very high	7 Å²	7	44.4 Å²	44.4	3%	0.034	21%	0.214	C	C	.	.			trans	-81.1	126.7	-175.4	-173.6	-175.1	66.6	0	0	114.1	L127 F128 L129 V148 L364 I558 Q562	L127-M131 WeakPolarHBondContact O-CB 3.44Å; L127-M131 PolarHBondContact O-N 3.11Å; L127-M131 VanDerWaalsContact O-N 3.11Å; F128-M131 HydrophobicContact CD2-CE 3.83Å; F128-M131 HydrophobicContact CE2-CE 3.71Å; L129-M131 PolarHBondContact O-N 3.47Å; M131-V148 HydrophobicContact CG-CG2 4.25Å; M131-V148 HydrophobicContact SD-CG2 4.11Å; M131-L364 HydrophobicContact CE-CD1 3.85Å; M131-L364 HydrophobicContact SD-CD1 3.75Å; M131-L364 HydrophobicContact SD-CD2 3.5Å; M131-L364 VanDerWaalsContact SD-CD2 3.5Å; M131-L364 HydrophobicContact SD-CG 4.28Å; M131-I558 HydrophobicContact CE-CG2 3.55Å; M131-Q562 PolarHBondContact O-NE2 3.26Å
132	E	94	Very high	94.7	Very high	122 Å²	122	47 Å²	47	57%	0.57	24%	0.24	S	C	*	.			trans	-80.1	129	174.3	-72.6	-167.4	-154.8	0	0	112.2	N134 D135 S147	E132-N134 PolarHBondContact O-N 3.31Å; E132-D135 HydrophobicContact CB-CB 4.04Å; E132-D135 VanDerWaalsContact O-CB 3.32Å; E132-D135 WeakPolarHBondContact O-CB 3.38Å; E132-D135 PolarHBondContact O-N 2.97Å; E132-D135 VanDerWaalsContact O-N 3.11Å; E132-S147 PolarHBondContact N-OG 3.37Å
133	L	93.8	Very high	94.6	Very high	45 Å²	45	52.3 Å²	52.3	24%	0.236	26%	0.262	C	S	.	.	H	α-helix	trans	-63.7	-28	177.1	-63.5	172.7	0	0	0	113.1	L555 I558 F559	L133-L555 HydrophobicContact CB-CD2 4.46Å; L133-L555 VanDerWaalsContact O-CD2 3.26Å; L133-L555 WeakPolarHBondContact O-CD2 3.2Å; L133-I558 HydrophobicContact CD2-CB 3.77Å; L133-I558 HydrophobicContact CD2-CG2 3.49Å; L133-I558 VanDerWaalsContact CD2-CG2 3.49Å; L133-F559 HydrophobicContact CD1-CB 3.88Å; L133-F559 HydrophobicContact CD1-CD2 4.14Å; L133-F559 HydrophobicContact CD1-CG 4.4Å
134	N	92.9	Very high	94.5	Very high	90 Å²	90	56.7 Å²	56.7	48%	0.481	29%	0.288	S	S	.	.	H	α-helix	trans	-73.4	-32.6	175.8	-176.2	56.7	0	0	0	111.8	E132 C136 L137 I138	E132-N134 PolarHBondContact O-N 3.31Å; N134-C136 PolarHBondContact O-N 3.36Å; N134-L137 WeakPolarHBondContact O-CB 3.4Å; N134-L137 PolarHBondContact O-N 3.33Å; N134-I138 WeakPolarHBondContact O-CG1 3.49Å; N134-I138 PolarHBondContact O-N 3.46Å
135	D	95.2	Very high	94.4	Very high	15 Å²	15	56.5 Å²	56.5	8%	0.08	29%	0.288	C	S	.	.	H	α-helix	trans	-60.2	-33.1	175	-111.5	9.1	0	0	0	111.5	E132 L137 I138 Y139 A145 S147 V148	E132-D135 HydrophobicContact CB-CB 4.04Å; E132-D135 VanDerWaalsContact O-CB 3.32Å; E132-D135 WeakPolarHBondContact O-CB 3.38Å; E132-D135 PolarHBondContact O-N 2.97Å; E132-D135 VanDerWaalsContact O-N 3.11Å; D135-L137 VanDerWaalsContact C-N 3.28Å; D135-L137 PolarHBondContact O-N 3.36Å; D135-I138 PolarHBondContact O-N 2.8Å; D135-I138 VanDerWaalsContact O-N 3.17Å; D135-Y139 WeakPolarHBondContact O-CB 3.31Å; D135-Y139 PolarHBondContact O-N 2.92Å; D135-A145 HydrophobicContact CB-CB 3.96Å; D135-A145 WeakPolarHBondContact O-CB 3.37Å; D135-A145 VanDerWaalsContact OD2-C 3.27Å; D135-S147 WeakPolarHBondContact CB-OG 3.35Å; D135-S147 WeakPolarHBondContact OD2-CB 3.32Å; D135-S147 PolarHBondContact OD2-N 3.43Å; D135-S147 PolarHBondContact OD2-OG 3.05Å; D135-V148 HydrophobicContact CB-CG2 4.05Å
136	C	95.3	Very high	94.3	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-60.6	-34.5	172.8	-58.3	0	0	0	0	113.1	N134 A140 L368 L371 L555	N134-C136 PolarHBondContact O-N 3.36Å; C136-A140 WeakPolarHBondContact O-CB 3.26Å; C136-A140 PolarHBondContact O-N 3.24Å; C136-L368 HydrophobicContact CB-CD2 4.05Å; C136-L371 HydrophobicContact CB-CD1 3.79Å; C136-L555 HydrophobicContact CB-CD2 3.98Å
137	L	94.2	Very high	94.3	Very high	18 Å²	18	52.7 Å²	52.7	9%	0.094	29%	0.288	C	S	.	.	H	α-helix	trans	-78.1	-33.9	173.7	-65.6	178.9	0	0	0	112.4	N134 D135 R141 L371 E551 L555	N134-L137 WeakPolarHBondContact O-CB 3.4Å; N134-L137 PolarHBondContact O-N 3.33Å; D135-L137 VanDerWaalsContact C-N 3.28Å; D135-L137 PolarHBondContact O-N 3.36Å; L137-R141 WeakPolarHBondContact O-CB 3.42Å; L137-R141 WeakPolarHBondContact O-CD 3.44Å; L137-R141 WeakPolarHBondContact O-CG 3.36Å; L137-R141 PolarHBondContact O-N 3.12Å; L137-L371 HydrophobicContact CD2-CD1 4.26Å; L137-L371 HydrophobicContact CD2-CD2 3.77Å; L137-E551 HydrophobicContact CD2-CB 4.07Å; L137-E551 HydrophobicContact CD2-CG 4.05Å; L137-L555 HydrophobicContact CD1-CD1 3.83Å; L137-L555 HydrophobicContact CD2-CD1 4.47Å; L137-L555 HydrophobicContact CG-CD1 3.99Å
138	I	93.4	Very high	94.3	Very high	44 Å²	44	50.7 Å²	50.7	23%	0.226	28%	0.278	C	S	.	.	H	α-helix	trans	-63.7	-47.1	175.2	-68	172.8	0	0	0	109.5	N134 D135 R141 K143 P144 A145	N134-I138 WeakPolarHBondContact O-CG1 3.49Å; N134-I138 PolarHBondContact O-N 3.46Å; D135-I138 PolarHBondContact O-N 2.8Å; D135-I138 VanDerWaalsContact O-N 3.17Å; I138-R141 CarbonylContact O-C 3.51Å; I138-R141 PolarHBondContact O-N 3.36Å; I138-R141 VanDerWaalsContact O-N 3.15Å; I138-K143 HydrophobicContact CG2-CB 3.52Å; I138-K143 WeakPolarHBondContact O-CB 3.19Å; I138-K143 PolarHBondContact O-N 3.37Å; I138-K143 VanDerWaalsContact O-N 3.11Å; I138-P144 WeakPolarHBondContact CG2-O 3.46Å; I138-A145 HydrophobicContact CB-CB 4.32Å; I138-A145 HydrophobicContact CG2-CB 4.11Å
139	Y	95	Very high	94.2	Very high	46 Å²	46	53 Å²	53	18%	0.18	29%	0.288	C	S	.	.	H	α-helix	trans	-57.8	-50.4	174.4	-175.2	-87.8	0	0	0	112.3	D135 R141 G142 V148 I152 L368	D135-Y139 WeakPolarHBondContact O-CB 3.31Å; D135-Y139 PolarHBondContact O-N 2.92Å; Y139-R141 PolarHBondContact O-N 2.91Å; Y139-G142 PolarHBondContact O-N 3.24Å; Y139-V148 HydrophobicContact CD1-CG1 4.41Å; Y139-V148 HydrophobicContact CD2-CB 4.42Å; Y139-V148 HydrophobicContact CD2-CG1 3.57Å; Y139-V148 HydrophobicContact CE2-CG1 4.07Å; Y139-V148 HydrophobicContact CG-CG1 3.77Å; Y139-I152 HydrophobicContact CD2-CD1 4.36Å; Y139-I152 HydrophobicContact CE2-CD1 3.5Å; Y139-I152 VanDerWaalsContact CE2-CD1 3.5Å; Y139-L368 HydrophobicContact CD1-CB 4.3Å; Y139-L368 HydrophobicContact CD1-CD1 3.99Å; Y139-L368 HydrophobicContact CD1-CD2 3.91Å; Y139-L368 HydrophobicContact CD1-CG 4.28Å; Y139-L368 HydrophobicContact CE1-CB 4.25Å; Y139-L368 HydrophobicContact CE1-CD1 3.87Å; Y139-L368 HydrophobicContact CE1-CG 4.45Å; Y139-L368 HydrophobicContact CG-CD2 4.42Å
140	A	93.4	Very high	94.3	Very high	4 Å²	4	52 Å²	52	3%	0.033	29%	0.289	C	S	.	.	H	α-helix	trans	-63.3	-13.2	178.8	0	0	0	0	0	114.3	C136 L371 H375	C136-A140 WeakPolarHBondContact O-CB 3.26Å; C136-A140 PolarHBondContact O-N 3.24Å; A140-L371 HydrophobicContact CB-CB 3.7Å; A140-H375 PolarHBondContact O-CD2 3.27Å
141	R	93.4	Very high	94.4	Very high	83 Å²	83	48.1 Å²	48.1	31%	0.313	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	15.2	174.7	-66.3	165.5	-172.5	158.9	2.1	112.4	L137 I138 Y139 K143 E551	L137-R141 WeakPolarHBondContact O-CB 3.42Å; L137-R141 WeakPolarHBondContact O-CD 3.44Å; L137-R141 WeakPolarHBondContact O-CG 3.36Å; L137-R141 PolarHBondContact O-N 3.12Å; I138-R141 CarbonylContact O-C 3.51Å; I138-R141 PolarHBondContact O-N 3.36Å; I138-R141 VanDerWaalsContact O-N 3.15Å; Y139-R141 PolarHBondContact O-N 2.91Å; R141-K143 VanDerWaalsContact C-N 3.3Å; R141-K143 PolarHBondContact O-N 3.11Å; R141-E551 IonicContact CZ-OE1 3.94Å; R141-E551 IonicContact NH2-OE1 2.91Å; R141-E551 PolarHBondContact NH2-OE1 2.61Å; R141-E551 IonicContact NH2-OE2 3.62Å; R141-E551 PolarHBondContact NH2-OE2 2.97Å
142	G	91.9	Very high	94.4	Very high	54 Å²	54	49 Å²	49	56%	0.557	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	17	176.7	0	0	0	0	0	115.1	Y139	Y139-G142 PolarHBondContact O-N 3.24Å
143	K	92.1	Very high	94.5	Very high	134 Å²	134	47.1 Å²	47.1	58%	0.583	27%	0.267	S	S	*	.	S	Bend	trans	-102.7	151.9	-178.4	-67.4	-177.3	-178.6	-173.9	0	111.2	I138 R141 A145	I138-K143 HydrophobicContact CG2-CB 3.52Å; I138-K143 WeakPolarHBondContact O-CB 3.19Å; I138-K143 PolarHBondContact O-N 3.37Å; I138-K143 VanDerWaalsContact O-N 3.11Å; R141-K143 VanDerWaalsContact C-N 3.3Å; R141-K143 PolarHBondContact O-N 3.11Å; K143-A145 PolarHBondContact O-N 3.41Å
144	P	92.3	Very high	94.6	Very high	120 Å²	120	45.6 Å²	45.6	78%	0.779	26%	0.259	S	S	*	.			trans	-62.9	128.9	177.1	26.4	-34.7	0	0	0	110.9	I138	I138-P144 WeakPolarHBondContact CG2-O 3.46Å
145	A	94.5	Very high	94.8	Very high	4 Å²	4	42.1 Å²	42.1	3%	0.033	24%	0.239	C	C	.	.			trans	-131.8	90.6	-176.8	0	0	0	0	0	108.2	D135 I138 K143 S147 V148 Q149	D135-A145 HydrophobicContact CB-CB 3.96Å; D135-A145 WeakPolarHBondContact O-CB 3.37Å; D135-A145 VanDerWaalsContact OD2-C 3.27Å; I138-A145 HydrophobicContact CB-CB 4.32Å; I138-A145 HydrophobicContact CG2-CB 4.11Å; K143-A145 PolarHBondContact O-N 3.41Å; A145-S147 VanDerWaalsContact C-N 3.29Å; A145-S147 PolarHBondContact O-N 2.73Å; A145-V148 HydrophobicContact CB-CB 4.15Å; A145-V148 PolarHBondContact O-N 3.36Å; A145-Q149 WeakPolarHBondContact O-CB 3.26Å; A145-Q149 PolarHBondContact O-N 2.92Å
146	P	94.6	Very high	94.9	Very high	98 Å²	98	43.2 Å²	43.2	64%	0.636	25%	0.245	S	C	*	.	H	α-helix	trans	-58.3	-35.8	-166.3	-27.5	36.2	0	0	0	114.5	Q149 A150	P146-Q149 PolarHBondContact O-N 3.38Å; P146-A150 PolarHBondContact O-N 2.82Å
147	S	94.8	Very high	94.8	Very high	22 Å²	22	45 Å²	45	15%	0.154	25%	0.253	C	S	.	.	H	α-helix	trans	-75.9	-36.1	-176.2	68.1	0	0	0	0	112.4	E132 D135 A145 T151	E132-S147 PolarHBondContact N-OG 3.37Å; D135-S147 WeakPolarHBondContact CB-OG 3.35Å; D135-S147 WeakPolarHBondContact OD2-CB 3.32Å; D135-S147 PolarHBondContact OD2-N 3.43Å; D135-S147 PolarHBondContact OD2-OG 3.05Å; A145-S147 VanDerWaalsContact C-N 3.29Å; A145-S147 PolarHBondContact O-N 2.73Å; S147-T151 PolarHBondContact O-N 3.3Å; S147-T151 PolarHBondContact O-OG1 2.82Å; S147-T151 VanDerWaalsContact O-OG1 3.11Å
148	V	96.2	Very high	94.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67.3	-41.8	168.9	170.8	0	0	0	0	111.2	M131 D135 Y139 A145 T151 I152 L364 L368	M131-V148 HydrophobicContact CG-CG2 4.25Å; M131-V148 HydrophobicContact SD-CG2 4.11Å; D135-V148 HydrophobicContact CB-CG2 4.05Å; Y139-V148 HydrophobicContact CD1-CG1 4.41Å; Y139-V148 HydrophobicContact CD2-CB 4.42Å; Y139-V148 HydrophobicContact CD2-CG1 3.57Å; Y139-V148 HydrophobicContact CE2-CG1 4.07Å; Y139-V148 HydrophobicContact CG-CG1 3.77Å; A145-V148 HydrophobicContact CB-CB 4.15Å; A145-V148 PolarHBondContact O-N 3.36Å; V148-T151 WeakPolarHBondContact O-CB 3.29Å; V148-T151 PolarHBondContact O-N 3.27Å; V148-I152 HydrophobicContact CG1-CD1 3.84Å; V148-I152 WeakPolarHBondContact O-CG1 3.42Å; V148-I152 PolarHBondContact O-N 2.86Å; V148-L364 HydrophobicContact CG1-CD2 4.18Å; V148-L364 HydrophobicContact CG2-CD2 4.45Å; V148-L368 HydrophobicContact CG1-CD1 3.73Å; V148-L368 HydrophobicContact CG1-CD2 4.27Å
149	Q	96.1	Very high	95	Very high	51 Å²	51	43 Å²	43	24%	0.238	24%	0.241	C	C	.	.	H	α-helix	trans	-62.8	-44.1	179.1	-171.2	59.3	45.4	0	0	111.8	A145 P146 T151 I152 D153	A145-Q149 WeakPolarHBondContact O-CB 3.26Å; A145-Q149 PolarHBondContact O-N 2.92Å; P146-Q149 PolarHBondContact O-N 3.38Å; Q149-T151 PolarHBondContact O-N 3.4Å; Q149-I152 CarbonylContact O-C 3.45Å; Q149-I152 WeakPolarHBondContact O-CA 3.49Å; Q149-I152 WeakPolarHBondContact O-CB 3.36Å; Q149-I152 PolarHBondContact O-N 2.95Å; Q149-D153 PolarHBondContact NE2-OD1 3.19Å; Q149-D153 VanDerWaalsContact O-CG 3.24Å; Q149-D153 PolarHBondContact O-N 2.68Å
150	A	96.3	Very high	94.9	Very high	39 Å²	39	43.3 Å²	43.3	32%	0.322	24%	0.244	S	C	.	.	H	α-helix	trans	-58.5	-36.7	176.1	0	0	0	0	0	112.7	L127 P146 Q154	L127-A150 HydrophobicContact CD2-CB 4.06Å; P146-A150 PolarHBondContact O-N 2.82Å; A150-Q154 WeakPolarHBondContact O-CB 3.28Å; A150-Q154 PolarHBondContact O-N 3.13Å; A150-Q154 VanDerWaalsContact O-N 3.08Å
151	T	96.8	Very high	94.9	Very high	15 Å²	15	43.2 Å²	43.2	9%	0.092	24%	0.243	C	C	.	.	H	α-helix	trans	-67.7	-38.4	174.7	-54.9	0	0	0	0	112	S147 V148 Q149 Y155 L364	S147-T151 PolarHBondContact O-N 3.3Å; S147-T151 PolarHBondContact O-OG1 2.82Å; S147-T151 VanDerWaalsContact O-OG1 3.11Å; V148-T151 WeakPolarHBondContact O-CB 3.29Å; V148-T151 PolarHBondContact O-N 3.27Å; Q149-T151 PolarHBondContact O-N 3.4Å; T151-Y155 PolarHBondContact O-N 3.3Å; T151-L364 HydrophobicContact CG2-CB 4.48Å; T151-L364 HydrophobicContact CG2-CD2 3.93Å
152	I	96.5	Very high	94.8	Very high	24 Å²	24	39.2 Å²	39.2	12%	0.123	23%	0.228	C	C	.	.	H	α-helix	trans	-68.6	-41.5	175.2	-68.9	167.5	0	0	0	111.2	Y139 V148 Q149 Y155 N156 L368	Y139-I152 HydrophobicContact CD2-CD1 4.36Å; Y139-I152 HydrophobicContact CE2-CD1 3.5Å; Y139-I152 VanDerWaalsContact CE2-CD1 3.5Å; V148-I152 HydrophobicContact CG1-CD1 3.84Å; V148-I152 WeakPolarHBondContact O-CG1 3.42Å; V148-I152 PolarHBondContact O-N 2.86Å; Q149-I152 CarbonylContact O-C 3.45Å; Q149-I152 WeakPolarHBondContact O-CA 3.49Å; Q149-I152 WeakPolarHBondContact O-CB 3.36Å; Q149-I152 PolarHBondContact O-N 2.95Å; I152-Y155 WeakPolarHBondContact O-CB 3.43Å; I152-Y155 PolarHBondContact O-N 3.3Å; I152-N156 WeakPolarHBondContact CG2-ND2 3.32Å; I152-N156 WeakPolarHBondContact O-CB 3.43Å; I152-N156 VanDerWaalsContact O-CG 3.3Å; I152-N156 PolarHBondContact O-N 3.01Å; I152-N156 PolarHBondContact O-ND2 3.24Å; I152-L368 HydrophobicContact CD1-CD1 4.39Å
153	D	95.9	Very high	94.8	Very high	83 Å²	83	36.7 Å²	36.7	44%	0.444	20%	0.202	S	C	.	.	H	α-helix	trans	-65	-41.2	179.8	-66.7	-22.7	0	0	0	111.3	Q149 N156 K157	Q149-D153 PolarHBondContact NE2-OD1 3.19Å; Q149-D153 VanDerWaalsContact O-CG 3.24Å; Q149-D153 PolarHBondContact O-N 2.68Å; D153-N156 PolarHBondContact O-N 3.37Å; D153-K157 WeakPolarHBondContact O-CB 3.45Å; D153-K157 PolarHBondContact O-N 2.9Å
154	Q	96	Very high	94.6	Very high	14 Å²	14	30.3 Å²	30.3	7%	0.065	17%	0.174	C	C	.	.	H	α-helix	trans	-59.6	-45.2	172.1	169.6	66	3.1	0	0	112.4	D124 L127 A150 K157 L158 F580	D124-Q154 WeakPolarHBondContact OD1-CG 3.37Å; D124-Q154 PolarHBondContact OD1-NE2 2.97Å; L127-Q154 HydrophobicContact CD1-CB 3.44Å; L127-Q154 VanDerWaalsContact CD1-CB 3.44Å; L127-Q154 HydrophobicContact CD1-CG 3.72Å; A150-Q154 WeakPolarHBondContact O-CB 3.28Å; A150-Q154 PolarHBondContact O-N 3.13Å; A150-Q154 VanDerWaalsContact O-N 3.08Å; Q154-K157 PolarHBondContact O-N 3.15Å; Q154-L158 PolarHBondContact O-N 3.29Å; Q154-L158 VanDerWaalsContact O-N 3.08Å; Q154-F580 VanDerWaalsContact OE1-CE1 3.25Å
155	Y	97.3	Very high	94.3	Very high	17 Å²	17	24.6 Å²	24.6	7%	0.067	14%	0.137	C	C	.	.	H	α-helix	trans	-61.3	-48.8	176.8	177	-82.9	0	0	0	111.6	T151 I152 K157 L158 Y159 S247 K250 A251 Y363	T151-Y155 PolarHBondContact O-N 3.3Å; I152-Y155 WeakPolarHBondContact O-CB 3.43Å; I152-Y155 PolarHBondContact O-N 3.3Å; Y155-K157 VanDerWaalsContact C-N 3.34Å; Y155-K157 PolarHBondContact O-N 3.03Å; Y155-L158 PolarHBondContact O-N 3.12Å; Y155-Y159 PolarHBondContact O-N 2.9Å; Y155-S247 WeakPolarHBondContact CE2-O 3.29Å; Y155-K250 HydrophobicContact CE2-CB 4.36Å; Y155-A251 HydrophobicContact CD2-CB 3.75Å; Y155-A251 HydrophobicContact CE1-CB 4.47Å; Y155-A251 HydrophobicContact CE2-CB 3.62Å; Y155-A251 HydrophobicContact CG-CB 4.25Å; Y155-Y363 AromaticContact CD2-CD2 3.98Å; Y155-Y363 HydrophobicContact CD2-CD2 3.98Å; Y155-Y363 AromaticContact CD2-CE2 3.93Å; Y155-Y363 HydrophobicContact CD2-CE2 3.93Å; Y155-Y363 HydrophobicContact CE1-CE2 4.27Å; Y155-Y363 AromaticContact CE2-CD2 3.53Å; Y155-Y363 HydrophobicContact CE2-CD2 3.53Å; Y155-Y363 AromaticContact CE2-CE2 3.41Å; Y155-Y363 HydrophobicContact CE2-CE2 3.41Å; Y155-Y363 VanDerWaalsContact CE2-CE2 3.41Å; Y155-Y363 AromaticContact CZ-CE2 3.62Å
156	N	95.9	Very high	93.8	Very high	38 Å²	38	24.4 Å²	24.4	20%	0.203	14%	0.135	C	C	.	.	H	α-helix	trans	-65.5	-37.1	179.3	-69	-28	0	0	0	112	I152 D153 Y159 H160	I152-N156 WeakPolarHBondContact CG2-ND2 3.32Å; I152-N156 WeakPolarHBondContact O-CB 3.43Å; I152-N156 VanDerWaalsContact O-CG 3.3Å; I152-N156 PolarHBondContact O-N 3.01Å; I152-N156 PolarHBondContact O-ND2 3.24Å; D153-N156 PolarHBondContact O-N 3.37Å; N156-Y159 PolarHBondContact O-N 2.91Å; N156-H160 PolarHBondContact O-CD2 2.91Å; N156-H160 VanDerWaalsContact O-CD2 3.28Å; N156-H160 PolarHBondContact O-N 3.39Å
157	K	94.7	Very high	93.3	Very high	38 Å²	38	19.8 Å²	19.8	17%	0.165	11%	0.105	C	C	.	.	H	α-helix	trans	-60.3	-43.9	174.1	177.9	-174.5	178.8	-162.2	0	111.6	D153 Q154 Y155 L161 F580 H581 L585	D153-K157 WeakPolarHBondContact O-CB 3.45Å; D153-K157 PolarHBondContact O-N 2.9Å; Q154-K157 PolarHBondContact O-N 3.15Å; Y155-K157 VanDerWaalsContact C-N 3.34Å; Y155-K157 PolarHBondContact O-N 3.03Å; K157-L161 VanDerWaalsContact O-CB 3.29Å; K157-L161 WeakPolarHBondContact O-CB 3.07Å; K157-L161 PolarHBondContact O-N 3.18Å; K157-F580 HydrophobicContact CD-CE1 3.97Å; K157-F580 HydrophobicContact CD-CZ 3.94Å; K157-F580 WeakPolarHBondContact CE-O 3.45Å; K157-F580 HydrophobicContact CG-CZ 4.28Å; K157-F580 PolarHBondContact NZ-O 2.87Å; K157-H581 PolarHBondContact NZ-CD2 3.19Å; K157-H581 PolarHBondContact NZ-NE2 2.98Å; K157-H581 VanDerWaalsContact NZ-NE2 3.16Å; K157-L585 HydrophobicContact CG-CD1 4.24Å
158	L	95.8	Very high	92.2	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-67.5	-42.5	175.7	179.4	57.9	0	0	0	112	L120 Q154 Y155 H160 L161 V162 W233 A248 A251 I252	L120-L158 HydrophobicContact CD1-CD1 3.99Å; L120-L158 HydrophobicContact CD1-CD2 4.18Å; L120-L158 HydrophobicContact CD2-CD1 3.97Å; L120-L158 HydrophobicContact CD2-CD2 4.29Å; Q154-L158 PolarHBondContact O-N 3.29Å; Q154-L158 VanDerWaalsContact O-N 3.08Å; Y155-L158 PolarHBondContact O-N 3.12Å; L158-H160 PolarHBondContact O-N 3.33Å; L158-L161 PolarHBondContact O-N 3.12Å; L158-V162 HydrophobicContact CD1-CG2 4.45Å; L158-V162 VanDerWaalsContact O-CG2 3.31Å; L158-V162 WeakPolarHBondContact O-CG2 3.37Å; L158-V162 PolarHBondContact O-N 3.03Å; L158-W233 HydrophobicContact CD1-CH2 4.1Å; L158-W233 HydrophobicContact CD1-CZ3 4.2Å; L158-A248 HydrophobicContact CD2-CB 3.48Å; L158-A248 VanDerWaalsContact CD2-CB 3.48Å; L158-A251 HydrophobicContact CB-CB 4.27Å; L158-A251 HydrophobicContact CD2-CB 3.96Å; L158-A251 HydrophobicContact CG-CB 4.11Å; L158-I252 HydrophobicContact CD1-CG1 4.41Å; L158-I252 HydrophobicContact CD2-CD1 4.39Å; L158-I252 HydrophobicContact CD2-CG1 4.2Å; L158-I252 HydrophobicContact CG-CG1 4.26Å
159	Y	95.7	Very high	90.4	Very high	18 Å²	18	21.2 Å²	21.2	7%	0.071	11%	0.113	C	C	.	.	H	α-helix	trans	-54.8	-49.5	173.9	171.9	-90.9	0	0	0	111.7	Y155 N156 V162 Q163 M254 A255 S258 E588	Y155-Y159 PolarHBondContact O-N 2.9Å; N156-Y159 PolarHBondContact O-N 2.91Å; Y159-V162 PolarHBondContact O-N 3.04Å; Y159-Q163 PolarHBondContact O-N 2.84Å; Y159-Q163 PolarHBondContact OH-NE2 3Å; Y159-M254 HydrophobicContact CD2-CB 4.19Å; Y159-M254 HydrophobicContact CE2-CB 4.22Å; Y159-A255 HydrophobicContact CD2-CB 3.65Å; Y159-A255 HydrophobicContact CE2-CB 4.11Å; Y159-A255 HydrophobicContact CG-CB 4.19Å; Y159-A255 WeakPolarHBondContact O-CB 3.03Å; Y159-S258 WeakPolarHBondContact OH-CB 3.49Å; Y159-E588 PolarHBondContact OH-OE1 2.7Å
160	H	93.5	Very high	88.1	Confident	52 Å²	52	23.7 Å²	23.7	24%	0.241	13%	0.128	C	C	.	.	H	α-helix	trans	-70.8	-30.8	176.8	-71.3	-51	0	0	0	113.1	N156 L158 Q163 S164 L585	N156-H160 PolarHBondContact O-CD2 2.91Å; N156-H160 VanDerWaalsContact O-CD2 3.28Å; N156-H160 PolarHBondContact O-N 3.39Å; L158-H160 PolarHBondContact O-N 3.33Å; H160-Q163 PolarHBondContact ND1-OE1 3.3Å; H160-Q163 VanDerWaalsContact ND1-OE1 3.12Å; H160-Q163 PolarHBondContact O-N 2.69Å; H160-S164 WeakPolarHBondContact O-CB 3.46Å; H160-S164 PolarHBondContact O-N 3Å; H160-S164 PolarHBondContact O-OG 3.27Å; H160-L585 HydrophobicContact CB-CD1 4.49Å; H160-L585 HydrophobicContact CB-CD2 4.36Å
161	L	92.5	Very high	85.8	Confident	2 Å²	2	30 Å²	30	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-65.2	-39.8	175.9	-168.7	155	0	0	0	111.2	K157 L158 S164 S165 W233 W579 F580 Y583 L585	K157-L161 VanDerWaalsContact O-CB 3.29Å; K157-L161 WeakPolarHBondContact O-CB 3.07Å; K157-L161 PolarHBondContact O-N 3.18Å; L158-L161 PolarHBondContact O-N 3.12Å; L161-S164 PolarHBondContact O-N 3.42Å; L161-S165 WeakPolarHBondContact O-CB 2.88Å; L161-S165 PolarHBondContact O-N 3.1Å; L161-S165 PolarHBondContact O-OG 2.92Å; L161-W233 HydrophobicContact CD2-CH2 3.82Å; L161-W233 HydrophobicContact CD2-CZ2 3.72Å; L161-W579 HydrophobicContact CD1-CH2 4.15Å; L161-W579 HydrophobicContact CD2-CH2 4.14Å; L161-F580 HydrophobicContact CD1-CD2 3.55Å; L161-F580 HydrophobicContact CD1-CE2 3.78Å; L161-Y583 HydrophobicContact CD1-CD1 4.29Å; L161-Y583 HydrophobicContact CD1-CG 4.31Å; L161-Y583 HydrophobicContact CG-CD1 3.99Å; L161-Y583 HydrophobicContact CG-CE1 4.4Å; L161-Y583 HydrophobicContact CG-CG 4.44Å; L161-L585 HydrophobicContact CB-CD2 3.9Å; L161-L585 HydrophobicContact CG-CD2 4.45Å
162	V	92.2	Very high	82.9	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-57.1	-55.9	173	174.8	0	0	0	0	110.1	L158 Y159 S164 S165 M166 W233 I252 A255 L256	L158-V162 HydrophobicContact CD1-CG2 4.45Å; L158-V162 VanDerWaalsContact O-CG2 3.31Å; L158-V162 WeakPolarHBondContact O-CG2 3.37Å; L158-V162 PolarHBondContact O-N 3.03Å; Y159-V162 PolarHBondContact O-N 3.04Å; V162-S164 VanDerWaalsContact C-N 3.33Å; V162-S164 PolarHBondContact O-N 2.9Å; V162-S165 PolarHBondContact O-N 2.85Å; V162-S165 PolarHBondContact O-OG 2.94Å; V162-M166 PolarHBondContact O-N 3.44Å; V162-W233 HydrophobicContact CB-CD2 4.39Å; V162-W233 HydrophobicContact CB-CZ2 4.22Å; V162-W233 HydrophobicContact CG1-CD2 4.12Å; V162-W233 HydrophobicContact CG1-CG 4.07Å; V162-W233 HydrophobicContact CG2-CD2 3.81Å; V162-W233 HydrophobicContact CG2-CE3 3.82Å; V162-W233 HydrophobicContact CG2-CH2 3.74Å; V162-W233 HydrophobicContact CG2-CZ2 3.72Å; V162-W233 HydrophobicContact CG2-CZ3 3.79Å; V162-I252 HydrophobicContact CG2-CB 4.36Å; V162-I252 HydrophobicContact CG2-CG1 3.86Å; V162-I252 HydrophobicContact CG2-CG2 4.35Å; V162-A255 HydrophobicContact CB-CB 3.61Å; V162-A255 HydrophobicContact CG1-CB 3.59Å; V162-A255 HydrophobicContact CG2-CB 4.16Å; V162-L256 HydrophobicContact CG1-CD2 4.36Å
163	Q	90.1	Very high	80.1	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-55.2	-47.1	175.9	-67.8	177.9	-26.7	0	0	111.7	Y159 H160 S165 M166 F167 S258 A591	Y159-Q163 PolarHBondContact O-N 2.84Å; Y159-Q163 PolarHBondContact OH-NE2 3Å; H160-Q163 PolarHBondContact ND1-OE1 3.3Å; H160-Q163 VanDerWaalsContact ND1-OE1 3.12Å; H160-Q163 PolarHBondContact O-N 2.69Å; Q163-S165 PolarHBondContact O-N 3.25Å; Q163-M166 PolarHBondContact O-N 3.46Å; Q163-M166 VanDerWaalsContact O-N 3.15Å; Q163-F167 WeakPolarHBondContact O-CD2 3.34Å; Q163-F167 PolarHBondContact O-N 3.19Å; Q163-F167 VanDerWaalsContact O-N 3.1Å; Q163-S258 PolarHBondContact NE2-OG 3.08Å; Q163-A591 HydrophobicContact CB-CB 4.38Å
164	S	88.5	Confident	77	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.4	-42	-178.6	-57	0	0	0	0	111.9	H160 L161 V162 M166 F167 N168 L585 I586	H160-S164 WeakPolarHBondContact O-CB 3.46Å; H160-S164 PolarHBondContact O-N 3Å; H160-S164 PolarHBondContact O-OG 3.27Å; L161-S164 PolarHBondContact O-N 3.42Å; V162-S164 VanDerWaalsContact C-N 3.33Å; V162-S164 PolarHBondContact O-N 2.9Å; S164-M166 VanDerWaalsContact C-N 3.28Å; S164-M166 PolarHBondContact O-N 2.72Å; S164-F167 PolarHBondContact O-N 3.02Å; S164-N168 WeakPolarHBondContact O-CB 3.31Å; S164-N168 PolarHBondContact O-N 2.95Å; S164-N168 PolarHBondContact O-ND2 3.15Å; S164-L585 WeakPolarHBondContact OG-CA 3.35Å; S164-I586 PolarHBondContact OG-N 2.87Å
165	S	86.6	Confident	74.1	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.007	19%	0.192	C	C	.	.	H	α-helix	trans	-62.6	-34	177.1	72.8	0	0	0	0	112.9	L161 V162 Q163 S169 W233	L161-S165 WeakPolarHBondContact O-CB 2.88Å; L161-S165 PolarHBondContact O-N 3.1Å; L161-S165 PolarHBondContact O-OG 2.92Å; V162-S165 PolarHBondContact O-N 2.85Å; V162-S165 PolarHBondContact O-OG 2.94Å; Q163-S165 PolarHBondContact O-N 3.25Å; S165-S169 PolarHBondContact O-OG 3.45Å; S165-W233 PolarHBondContact OG-NE1 3.26Å
166	M	84.1	Confident	70.8	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-75.6	-30	177.4	-65.8	-173.1	62.3	0	0	113.3	V162 Q163 S164 S169 K226 C229 I230 L256 V261 L264	V162-M166 PolarHBondContact O-N 3.44Å; Q163-M166 PolarHBondContact O-N 3.46Å; Q163-M166 VanDerWaalsContact O-N 3.15Å; S164-M166 VanDerWaalsContact C-N 3.28Å; S164-M166 PolarHBondContact O-N 2.72Å; M166-S169 PolarHBondContact O-OG 2.88Å; M166-K226 VanDerWaalsContact O-CD 3.31Å; M166-K226 WeakPolarHBondContact O-CD 3.38Å; M166-K226 WeakPolarHBondContact O-CE 3.41Å; M166-K226 PolarHBondContact O-NZ 3.48Å; M166-C229 HydrophobicContact CG-CB 4.02Å; M166-I230 HydrophobicContact CE-CD1 3.91Å; M166-I230 HydrophobicContact CE-CG1 3.46Å; M166-I230 VanDerWaalsContact CE-CG1 3.46Å; M166-I230 HydrophobicContact SD-CG1 4.23Å; M166-L256 HydrophobicContact SD-CD2 4.19Å; M166-V261 HydrophobicContact CE-CG1 3.69Å; M166-V261 HydrophobicContact CE-CG2 4.23Å; M166-V261 HydrophobicContact SD-CG1 3.87Å; M166-V261 HydrophobicContact SD-CG2 3.8Å; M166-L264 HydrophobicContact CE-CD1 3.86Å
167	F	83.3	Confident	68	Low	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-114.1	-8.3	-172.5	-60.1	-61.9	0	0	0	115.2	Q163 S164 P260 V261 L264 I586 A591 R594 L598	Q163-F167 WeakPolarHBondContact O-CD2 3.34Å; Q163-F167 PolarHBondContact O-N 3.19Å; Q163-F167 VanDerWaalsContact O-N 3.1Å; S164-F167 PolarHBondContact O-N 3.02Å; F167-P260 HydrophobicContact CE2-CB 4Å; F167-P260 HydrophobicContact CZ-CB 4.25Å; F167-P260 WeakPolarHBondContact CZ-O 3.48Å; F167-V261 HydrophobicContact CE2-CG2 4.04Å; F167-V261 HydrophobicContact CZ-CG2 4.35Å; F167-L264 HydrophobicContact CE1-CD1 3.94Å; F167-L264 HydrophobicContact CE1-CD2 4.4Å; F167-L264 HydrophobicContact CZ-CD1 3.9Å; F167-I586 HydrophobicContact CB-CD1 3.61Å; F167-I586 HydrophobicContact CD2-CD1 4.13Å; F167-I586 HydrophobicContact CG-CD1 4.32Å; F167-A591 HydrophobicContact CD2-CB 3.86Å; F167-A591 HydrophobicContact CE2-CB 4.19Å; F167-R594 HydrophobicContact CB-CB 4.23Å; F167-R594 HydrophobicContact CD1-CB 4.35Å; F167-R594 HydrophobicContact CG-CB 4.48Å; F167-R594 WeakPolarHBondContact O-CD 3.5Å; F167-R594 PolarHBondContact O-NH1 2.97Å; F167-L598 HydrophobicContact CD1-CD1 3.58Å; F167-L598 HydrophobicContact CE1-CD1 3.83Å
168	N	73.1	Confident	64.8	Low	22 Å²	22	48.4 Å²	48.4	12%	0.118	25%	0.246	C	C	.	.	S	Bend	trans	-87.5	-5.8	168.2	-72.7	-26.3	0	0	0	113.4	S164 D170 Q171 P584 I586 R594	S164-N168 WeakPolarHBondContact O-CB 3.31Å; S164-N168 PolarHBondContact O-N 2.95Å; S164-N168 PolarHBondContact O-ND2 3.15Å; N168-D170 PolarHBondContact O-N 2.65Å; N168-Q171 PolarHBondContact O-N 2.73Å; N168-P584 PolarHBondContact ND2-O 3.16Å; N168-I586 VanDerWaalsContact OD1-CG2 3.28Å; N168-I586 WeakPolarHBondContact OD1-CG2 3.5Å; N168-R594 PolarHBondContact OD1-NH1 2.89Å; N168-R594 PolarHBondContact OD1-NH2 2.9Å
169	S	57.7	Low	61.7	Low	30 Å²	30	51.7 Å²	51.7	21%	0.21	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-9.4	-170	-18.3	0	0	0	0	115	S165 M166 Q171 K226	S165-S169 PolarHBondContact O-OG 3.45Å; M166-S169 PolarHBondContact O-OG 2.88Å; S169-Q171 VanDerWaalsContact C-N 3.29Å; S169-Q171 PolarHBondContact O-N 3.07Å; S169-K226 PolarHBondContact OG-NZ 3.28Å; S169-K226 VanDerWaalsContact OG-NZ 3.13Å
170	D	48.6	Very low	58.6	Low	103 Å²	103	55.4 Å²	55.4	55%	0.551	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-3.9	-175.7	-47.1	-14.1	0	0	0	112.3	N168 K226	N168-D170 PolarHBondContact O-N 2.65Å; D170-K226 IonicContact OD1-NZ 3.22Å; D170-K226 PolarHBondContact OD1-NZ 3.26Å
171	Q	46.9	Very low	55.5	Low	172 Å²	172	57.1 Å²	57.1	80%	0.804	31%	0.308	S	S	*	.	S	Bend	trans	-107.9	-20.5	173.9	-62.2	-158.1	6.4	0	0	114.9	N168 S169	N168-Q171 PolarHBondContact O-N 2.73Å; S169-Q171 VanDerWaalsContact C-N 3.29Å; S169-Q171 PolarHBondContact O-N 3.07Å
172	D	36.4	Very low	52.4	Low	113 Å²	113	64.3 Å²	64.3	60%	0.604	34%	0.344	S	S	*	.	S	Bend	trans	-120.3	141.3	-175	-76.2	-57.2	0	0	0	113.3
173	F	37.3	Very low	49.3	Very low	136 Å²	136	75 Å²	75	60%	0.596	39%	0.386	S	S	*	.			trans	-83.4	178	-165.6	-56.4	-105.1	0	0	0	114	N107	N107-F173 PolarHBondContact ND2-O 3.28Å
174	P	31.1	Very low	46.2	Very low	35 Å²	35	79.2 Å²	79.2	23%	0.227	42%	0.416	C	S	.	.				-84.3	144.5	-112.3	23.1	-2	0	0	0	114	I204 T206	P174-I204 HydrophobicContact CG-CG2 3.6Å; P174-T206 HydrophobicContact CG-CG2 4.41Å
175	I	34.7	Very low	43.3	Very low	29 Å²	29	89.3 Å²	89.3	15%	0.149	45%	0.454	C	S	.	.			trans	-92.6	119.3	167.3	-47.7	172.9	0	0	0	107.8	W109 V177 L225 C229	W109-I175 HydrophobicContact CB-CG1 4.06Å; W109-I175 HydrophobicContact CB-CG2 4.39Å; W109-I175 HydrophobicContact CD2-CD1 3.45Å; W109-I175 VanDerWaalsContact CD2-CD1 3.45Å; W109-I175 HydrophobicContact CD2-CG1 3.98Å; W109-I175 VanDerWaalsContact CE2-CD1 3.48Å; W109-I175 HydrophobicContact CE3-CD1 3.98Å; W109-I175 HydrophobicContact CG-CD1 3.65Å; W109-I175 HydrophobicContact CG-CG1 3.58Å; W109-I175 HydrophobicContact CZ2-CD1 4.05Å; W109-I175 HydrophobicContact CZ3-CD1 4.46Å; I175-V177 HydrophobicContact CG2-CG2 4.16Å; I175-L225 HydrophobicContact CB-CD2 4.26Å; I175-C229 VanDerWaalsContact CD1-SG 3.54Å
176	L	28.1	Very low	40.4	Very low	87 Å²	87	99.4 Å²	99.4	46%	0.455	49%	0.492	S	S	.	.			trans	-120.6	98.5	172.8	-156.7	172.2	0	0	0	109.3	I205	L176-I205 HydrophobicContact CD1-CB 3.63Å; L176-I205 HydrophobicContact CD1-CD1 4.09Å; L176-I205 HydrophobicContact CD1-CG1 4.05Å
177	V	36.2	Very low	37.8	Very low	79 Å²	79	108.6 Å²	108.6	48%	0.479	53%	0.532	S	S	.	.			trans	-132.8	83.8	172.5	-176.7	0	0	0	0	107.6	I175 P179	I175-V177 HydrophobicContact CG2-CG2 4.16Å; V177-P179 HydrophobicContact CG1-CG 4.16Å; V177-P179 WeakPolarHBondContact O-CD 3.37Å
178	E	27.6	Very low	35.2	Very low	137 Å²	137	114.4 Å²	114.4	64%	0.64	56%	0.563	S	S	*	*			trans	-99	101	153.9	-78.4	-163.2	166.7	0	0	108.2	T180	E178-T180 VanDerWaalsContact C-N 3.34Å; E178-T180 PolarHBondContact O-N 3.04Å
179	P	32	Very low	33.1	Very low	70 Å²	70	121.2 Å²	121.2	46%	0.455	59%	0.592	S	S	.	*			trans	-75.5	96.1	151.1	9.3	11.1	0	0	0	105.1	V177 P181 Y275	V177-P179 HydrophobicContact CG1-CG 4.16Å; V177-P179 WeakPolarHBondContact O-CD 3.37Å; P179-P181 WeakPolarHBondContact O-CD 3.48Å; P179-P181 VanDerWaalsContact O-N 3.14Å; P179-Y275 HydrophobicContact CG-CE1 3.97Å
180	T	29.5	Very low	31.7	Very low	95 Å²	95	131.1 Å²	131.1	58%	0.583	63%	0.625	S	S	*	*			trans	-56.2	120.7	-176.6	37.2	0	0	0	0	110	E178 I182	E178-T180 VanDerWaalsContact C-N 3.34Å; E178-T180 PolarHBondContact O-N 3.04Å; T180-I182 WeakPolarHBondContact O-CG1 3.46Å; T180-I182 PolarHBondContact O-N 3.47Å
181	P	30	Very low	30.9	Very low	88 Å²	88	129.7 Å²	129.7	57%	0.571	64%	0.635	S	S	*	*			trans	-73.4	98.8	-175.9	27.4	-33.2	0	0	0	109.5	P179 Y183	P179-P181 WeakPolarHBondContact O-CD 3.48Å; P179-P181 VanDerWaalsContact O-N 3.14Å; P181-Y183 PolarHBondContact O-N 2.7Å
182	I	27.3	Very low	30	Very low	153 Å²	153	127.5 Å²	127.5	79%	0.785	63%	0.628	S	S	*	*			trans	-75.4	75.1	-177.6	-49	-176	0	0	0	110.7	T180	T180-I182 WeakPolarHBondContact O-CG1 3.46Å; T180-I182 PolarHBondContact O-N 3.47Å
183	Y	26.2	Very low	29.8	Very low	225 Å²	225	133 Å²	133	88%	0.882	64%	0.642	S	S	*	*			trans	-133.2	143.2	160	-84.5	-81.3	0	0	0	110.1	P181	P181-Y183 PolarHBondContact O-N 2.7Å
184	S	25.8	Very low	29.4	Very low	88 Å²	88	133.1 Å²	133.1	62%	0.615	65%	0.649	S	S	*	*	S	Bend	trans	83.1	93.1	171.9	-173.2	0	0	0	0	119.4
185	R	27.2	Very low	29.3	Very low	213 Å²	213	137.2 Å²	137.2	80%	0.804	68%	0.678	S	S	*	*			trans	82.8	124.5	136.3	-59.5	168.7	-144.8	-151.6	-1	120.6
186	R	25.4	Very low	28.9	Very low	213 Å²	213	141.9 Å²	141.9	80%	0.804	71%	0.711	S	S	*	*			trans	46.1	116.6	133.6	-51	174.6	-177.7	-179.7	-0.8	116.4
187	F	29.6	Very low	28.8	Very low	193 Å²	193	141.9 Å²	141.9	85%	0.846	72%	0.723	S	S	*	*				-164.3	177	74.5	-108.8	-80	0	0	0	114.8
188	N	27.7	Very low	28.5	Very low	122 Å²	122	143.3 Å²	143.3	65%	0.652	73%	0.732	S	S	*	*			trans	-73.2	148.6	-167.4	-92.6	-72.7	0	0	0	117.6
189	K	30.3	Very low	28.4	Very low	165 Å²	165	148.3 Å²	148.3	72%	0.717	75%	0.745	S	S	*	*			trans	76.2	121.6	134.8	-73.5	170.9	-174.8	177.2	0	122.8
190	R	27.5	Very low	28.1	Very low	237 Å²	237	149.8 Å²	149.8	89%	0.894	75%	0.753	S	S	*	*			trans	84.1	143.2	137.1	-68.2	173	172.7	-174.3	-4.9	119.8
191	G	31.3	Very low	27.9	Very low	74 Å²	74	149.7 Å²	149.7	76%	0.763	76%	0.756	S	S	*	*			trans	83.1	101.4	-175.7	0	0	0	0	0	111.4
192	N	28.1	Very low	27.8	Very low	126 Å²	126	150.3 Å²	150.3	67%	0.674	76%	0.76	S	S	*	*			cis	63.8	88.1	26.2	-164	36.1	0	0	0	115.2
193	Y	32.4	Very low	27.9	Very low	229 Å²	229	149.7 Å²	149.7	90%	0.898	75%	0.754	S	S	*	*			trans	-155.7	138.5	138.2	-84.1	-58.9	0	0	0	110
194	N	28.8	Very low	27.9	Very low	137 Å²	137	143 Å²	143	73%	0.733	73%	0.733	S	S	*	*			trans	-89.4	139.9	179.2	-67	-60.3	0	0	0	111.5
195	S	28.9	Very low	27.9	Very low	121 Å²	121	144 Å²	144	85%	0.846	73%	0.73	S	S	*	*			trans	-159.3	143.8	150.7	-86	0	0	0	0	111.7
196	P	27.5	Very low	27.8	Very low	128 Å²	128	138.3 Å²	138.3	83%	0.831	72%	0.719	S	S	*	*			trans	-101	143.8	-171.5	37.2	-33.1	0	0	0	113.6
197	A	26.5	Very low	27.8	Very low	87 Å²	87	133.7 Å²	133.7	72%	0.719	71%	0.709	S	S	*	*			trans	-160.2	144	157.9	0	0	0	0	0	113.6
198	T	29.1	Very low	27.6	Very low	109 Å²	109	131.6 Å²	131.6	67%	0.669	70%	0.696	S	S	*	*			trans	48.2	139.4	147	48.6	0	0	0	0	122.2	V200	T198-V200 PolarHBondContact O-N 2.84Å; T198-V200 VanDerWaalsContact O-N 3.09Å
199	R	26	Very low	27.6	Very low	242 Å²	242	130.4 Å²	130.4	91%	0.913	70%	0.697	S	S	*	*			trans	-49.9	114.6	148.3	-72.7	172.3	166.7	-177.3	-8.4	109.5	S201	R199-S201 VanDerWaalsContact C-N 3.35Å; R199-S201 PolarHBondContact O-N 2.91Å
200	V	25.5	Very low	27.4	Very low	101 Å²	101	131.4 Å²	131.4	61%	0.612	70%	0.701	S	S	*	*			trans	-78.9	88.8	169.6	-173.8	0	0	0	0	107.8	T198 Q203	T198-V200 PolarHBondContact O-N 2.84Å; T198-V200 VanDerWaalsContact O-N 3.09Å; V200-Q203 HydrophobicContact CG1-CB 4.29Å; V200-Q203 HydrophobicContact CG1-CG 4.07Å
201	S	25.7	Very low	27.4	Very low	93 Å²	93	124.8 Å²	124.8	65%	0.65	69%	0.691	S	S	*	*			trans	-50.6	141.3	147.5	-57.9	0	0	0	0	107.3	R199 Q203	R199-S201 VanDerWaalsContact C-N 3.35Å; R199-S201 PolarHBondContact O-N 2.91Å; S201-Q203 WeakPolarHBondContact O-CG 3.39Å; S201-Q203 PolarHBondContact O-N 3.17Å
202	P	27.7	Very low	27.1	Very low	101 Å²	101	125.6 Å²	125.6	66%	0.656	69%	0.685	S	S	*	*			trans	-51.1	105.5	-172.9	19.9	-32.6	0	0	0	110.4	I204	P202-I204 PolarHBondContact O-N 3.24Å; P202-I204 VanDerWaalsContact O-N 3.13Å
203	Q	28	Very low	27.1	Very low	139 Å²	139	125.3 Å²	125.3	65%	0.65	69%	0.69	S	S	*	*			trans	-80.8	103.8	-173	-85.6	-172.6	1.3	0	0	107.9	V200 S201 I205	V200-Q203 HydrophobicContact CG1-CB 4.29Å; V200-Q203 HydrophobicContact CG1-CG 4.07Å; S201-Q203 WeakPolarHBondContact O-CG 3.39Å; S201-Q203 PolarHBondContact O-N 3.17Å; Q203-I205 PolarHBondContact O-N 3.03Å
204	I	26.7	Very low	26.9	Very low	85 Å²	85	120.6 Å²	120.6	44%	0.436	68%	0.681	S	S	.	*			trans	-57.4	100	173.2	-57.2	172.3	0	0	0	108.3	P174 P202 T206	P174-I204 HydrophobicContact CG-CG2 3.6Å; P202-I204 PolarHBondContact O-N 3.24Å; P202-I204 VanDerWaalsContact O-N 3.13Å; I204-T206 PolarHBondContact O-N 2.95Å
205	I	25.8	Very low	27.1	Very low	108 Å²	108	122.6 Å²	122.6	55%	0.554	69%	0.685	S	S	*	*			trans	-82.5	103.2	169.1	-49.2	179.4	0	0	0	106.9	L176 Q203 I207	L176-I205 HydrophobicContact CD1-CB 3.63Å; L176-I205 HydrophobicContact CD1-CD1 4.09Å; L176-I205 HydrophobicContact CD1-CG1 4.05Å; Q203-I205 PolarHBondContact O-N 3.03Å; I205-I207 HydrophobicContact CG2-CG1 4.37Å; I205-I207 PolarHBondContact O-N 3.48Å
206	T	26.1	Very low	27.2	Very low	94 Å²	94	123.9 Å²	123.9	58%	0.577	68%	0.682	S	S	*	*			trans	-71.5	93.6	179.9	-49.9	0	0	0	0	111	P174 I204	P174-T206 HydrophobicContact CG-CG2 4.41Å; I204-T206 PolarHBondContact O-N 2.95Å
207	I	24.9	Very low	27.6	Very low	116 Å²	116	121.5 Å²	121.5	60%	0.595	67%	0.669	S	S	*	*			trans	-95.4	159.1	159.5	-56	-179.5	0	0	0	107.5	I205	I205-I207 HydrophobicContact CG2-CG1 4.37Å; I205-I207 PolarHBondContact O-N 3.48Å
208	W	25.8	Very low	28.4	Very low	150 Å²	150	122.3 Å²	122.3	57%	0.568	67%	0.669	S	S	*	*			trans	76.9	61.4	-162.6	-65	70.2	0	0	0	114.8
209	S	26.8	Very low	29.3	Very low	97 Å²	97	120 Å²	120	68%	0.678	66%	0.661	S	S	*	*			trans	-66.8	126.7	149.3	-176.1	0	0	0	0	109.4	S211	S209-S211 PolarHBondContact O-N 3.25Å; S209-S211 PolarHBondContact OG-OG 3.43Å
210	K	27.5	Very low	30.7	Very low	186 Å²	186	111 Å²	111	81%	0.809	64%	0.635	S	S	*	*	S	Bend	trans	-74.5	72.3	174	-71.7	-177.6	175.3	177.5	0	109.8
211	S	25.7	Very low	32.3	Very low	98 Å²	98	108.8 Å²	108.8	69%	0.685	62%	0.62	S	S	*	*			trans	-152.5	37.4	-173.4	-59.2	0	0	0	0	115.1	S209	S209-S211 PolarHBondContact O-N 3.25Å; S209-S211 PolarHBondContact OG-OG 3.43Å
212	S	26	Very low	34.2	Very low	90 Å²	90	106.4 Å²	106.4	63%	0.629	60%	0.602	S	S	*	*			trans	-155.5	112.3	161.8	-157.7	0	0	0	0	112.4	N214	S212-N214 PolarHBondContact O-N 3.35Å; S212-N214 VanDerWaalsContact O-N 3.1Å
213	P	27.6	Very low	36.1	Very low	121 Å²	121	101.8 Å²	101.8	79%	0.786	57%	0.572	S	S	*	*			trans	-84.6	53.4	174.6	36.1	-35.3	0	0	0	111.5
214	N	29.5	Very low	38.1	Very low	130 Å²	130	100.4 Å²	100.4	70%	0.695	56%	0.564	S	S	*	*			trans	-104.6	101.4	172.8	-88.4	-17.7	0	0	0	109.7	S212 N216	S212-N214 PolarHBondContact O-N 3.35Å; S212-N214 VanDerWaalsContact O-N 3.1Å; N214-N216 PolarHBondContact O-N 3.16Å
215	H	32.5	Very low	40.2	Very low	178 Å²	178	99.4 Å²	99.4	82%	0.824	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.4	116.6	171.2	-61.4	-98.5	0	0	0	109.7
216	N	31.5	Very low	43	Very low	148 Å²	148	94.4 Å²	94.4	79%	0.791	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	172.4	-8.3	154.6	-89.8	-20.8	0	0	0	114.1	N214 S218	N214-N216 PolarHBondContact O-N 3.16Å; N216-S218 PolarHBondContact O-N 3.27Å; N216-S218 PolarHBondContact O-OG 3.38Å
217	S	35.6	Very low	45.7	Very low	78 Å²	78	90 Å²	90	55%	0.545	51%	0.506	S	S	.	.			trans	-80.8	48.6	174.2	61.3	0	0	0	0	112.5
218	S	43.8	Very low	48.5	Very low	105 Å²	105	85 Å²	85	73%	0.734	48%	0.484	S	S	*	.			trans	-98.3	-3.2	-143.4	47.9	0	0	0	0	118.5	N216	N216-S218 PolarHBondContact O-N 3.27Å; N216-S218 PolarHBondContact O-OG 3.38Å
219	A	47.6	Very low	51.4	Low	60 Å²	60	77.9 Å²	77.9	50%	0.496	46%	0.457	S	S	.	.	S	Bend	trans	-151	-49	178.3	0	0	0	0	0	114.6	D221 V222 G223	A219-D221 VanDerWaalsContact C-N 3.3Å; A219-D221 PolarHBondContact O-N 3.06Å; A219-D221 VanDerWaalsContact O-N 3.12Å; A219-V222 PolarHBondContact O-N 3.41Å; A219-G223 PolarHBondContact O-N 3.22Å
220	S	54.3	Low	54.4	Low	53 Å²	53	73.3 Å²	73.3	37%	0.371	43%	0.425	S	S	.	.	H	α-helix	trans	-40.6	-53.6	-176.8	155.1	0	0	0	0	113.7	G223 K224	S220-G223 PolarHBondContact O-N 2.9Å; S220-K224 WeakPolarHBondContact O-CG 3.41Å; S220-K224 PolarHBondContact O-N 2.95Å; S220-K224 WeakPolarHBondContact OG-CE 3.48Å; S220-K224 PolarHBondContact OG-NZ 3.16Å
221	D	60.4	Low	57.3	Low	55 Å²	55	65.1 Å²	65.1	29%	0.294	39%	0.39	S	S	.	.	H	α-helix	trans	-82.1	-24.1	-164.5	-54.7	-27.7	0	0	0	112	A219 K224 L225	A219-D221 VanDerWaalsContact C-N 3.3Å; A219-D221 PolarHBondContact O-N 3.06Å; A219-D221 VanDerWaalsContact O-N 3.12Å; D221-K224 IonicContact OD1-NZ 3.16Å; D221-K224 PolarHBondContact OD1-NZ 3.34Å; D221-L225 VanDerWaalsContact O-CG 3.28Å; D221-L225 WeakPolarHBondContact O-CG 3.48Å; D221-L225 PolarHBondContact O-N 2.97Å
222	V	65.2	Low	60.4	Low	43 Å²	43	61.4 Å²	61.4	26%	0.261	36%	0.363	S	S	.	.	H	α-helix	trans	-65	-49.5	167.2	178.2	0	0	0	0	109.7	A219 K224 L225 K226 L598	A219-V222 PolarHBondContact O-N 3.41Å; V222-K224 PolarHBondContact O-N 3.01Å; V222-L225 WeakPolarHBondContact O-CB 3.33Å; V222-L225 PolarHBondContact O-N 3.12Å; V222-L225 VanDerWaalsContact O-N 3.16Å; V222-K226 HydrophobicContact CG1-CG 4.46Å; V222-K226 WeakPolarHBondContact O-CG 3.44Å; V222-K226 PolarHBondContact O-N 2.85Å; V222-L598 HydrophobicContact CG1-CD2 3.57Å
223	G	66.9	Low	63.6	Low	4 Å²	4	57.2 Å²	57.2	4%	0.041	33%	0.333	C	S	.	.	H	α-helix	trans	-60.2	-41.1	177.9	0	0	0	0	0	113.1	A219 S220 K226 T227	A219-G223 PolarHBondContact O-N 3.22Å; S220-G223 PolarHBondContact O-N 2.9Å; G223-K226 PolarHBondContact O-N 3.29Å; G223-T227 WeakPolarHBondContact O-CB 3.4Å; G223-T227 PolarHBondContact O-N 3.04Å; G223-T227 PolarHBondContact O-OG1 2.94Å
224	K	69.8	Low	66.7	Low	109 Å²	109	51.4 Å²	51.4	47%	0.474	30%	0.296	S	S	.	.	H	α-helix	trans	-59.8	-46.5	172.4	-69.5	172	-166.8	161.8	0	112.2	S220 D221 V222 T227 G228	S220-K224 WeakPolarHBondContact O-CG 3.41Å; S220-K224 PolarHBondContact O-N 2.95Å; S220-K224 WeakPolarHBondContact OG-CE 3.48Å; S220-K224 PolarHBondContact OG-NZ 3.16Å; D221-K224 IonicContact OD1-NZ 3.16Å; D221-K224 PolarHBondContact OD1-NZ 3.34Å; V222-K224 PolarHBondContact O-N 3.01Å; K224-T227 WeakPolarHBondContact O-CB 3.22Å; K224-T227 PolarHBondContact O-N 3.32Å; K224-G228 PolarHBondContact O-N 3.44Å
225	L	72.3	Confident	69.7	Low	64 Å²	64	46.7 Å²	46.7	34%	0.335	27%	0.271	S	S	.	.	H	α-helix	trans	-60.3	-47.4	177.5	-75.6	167	0	0	0	111.5	I175 D221 V222 T227 G228 C229	I175-L225 HydrophobicContact CB-CD2 4.26Å; D221-L225 VanDerWaalsContact O-CG 3.28Å; D221-L225 WeakPolarHBondContact O-CG 3.48Å; D221-L225 PolarHBondContact O-N 2.97Å; V222-L225 WeakPolarHBondContact O-CB 3.33Å; V222-L225 PolarHBondContact O-N 3.12Å; V222-L225 VanDerWaalsContact O-N 3.16Å; L225-T227 VanDerWaalsContact C-N 3.32Å; L225-T227 PolarHBondContact O-N 3.4Å; L225-G228 PolarHBondContact O-N 3.29Å; L225-C229 PolarHBondContact O-N 3.16Å; L225-C229 PolarHBondContact O-SG 2.87Å
226	K	82.7	Confident	72.6	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.017	23%	0.231	C	C	.	.	H	α-helix	trans	-67.4	-31.9	177.9	-53.7	-46	177.8	-178.6	0	112.1	M166 S169 D170 V222 G223 C229 I230 L264	M166-K226 VanDerWaalsContact O-CD 3.31Å; M166-K226 WeakPolarHBondContact O-CD 3.38Å; M166-K226 WeakPolarHBondContact O-CE 3.41Å; M166-K226 PolarHBondContact O-NZ 3.48Å; S169-K226 PolarHBondContact OG-NZ 3.28Å; S169-K226 VanDerWaalsContact OG-NZ 3.13Å; D170-K226 IonicContact OD1-NZ 3.22Å; D170-K226 PolarHBondContact OD1-NZ 3.26Å; V222-K226 HydrophobicContact CG1-CG 4.46Å; V222-K226 WeakPolarHBondContact O-CG 3.44Å; V222-K226 PolarHBondContact O-N 2.85Å; G223-K226 PolarHBondContact O-N 3.29Å; K226-C229 WeakPolarHBondContact O-CB 3.23Å; K226-C229 PolarHBondContact O-N 3.41Å; K226-I230 WeakPolarHBondContact O-CG1 3.42Å; K226-I230 PolarHBondContact O-N 3Å; K226-L264 HydrophobicContact CB-CD1 4.35Å
227	T	84.4	Confident	75.7	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.006	19%	0.194	C	C	.	.	H	α-helix	trans	-61.6	-45.6	170.6	-53.8	0	0	0	0	111.4	G223 K224 L225 C229 I230 I231 S267 V270 L271 Y275	G223-T227 WeakPolarHBondContact O-CB 3.4Å; G223-T227 PolarHBondContact O-N 3.04Å; G223-T227 PolarHBondContact O-OG1 2.94Å; K224-T227 WeakPolarHBondContact O-CB 3.22Å; K224-T227 PolarHBondContact O-N 3.32Å; L225-T227 VanDerWaalsContact C-N 3.32Å; L225-T227 PolarHBondContact O-N 3.4Å; T227-C229 VanDerWaalsContact C-N 3.3Å; T227-C229 PolarHBondContact O-N 3.31Å; T227-I230 PolarHBondContact O-N 3.44Å; T227-I230 VanDerWaalsContact O-N 3.12Å; T227-I231 HydrophobicContact CG2-CD1 4.07Å; T227-I231 WeakPolarHBondContact O-CG1 3.28Å; T227-I231 PolarHBondContact O-N 3.21Å; T227-S267 WeakPolarHBondContact OG1-CA 3.21Å; T227-S267 PolarHBondContact OG1-O 2.81Å; T227-S267 VanDerWaalsContact OG1-O 3.11Å; T227-V270 HydrophobicContact CG2-CB 4.34Å; T227-V270 HydrophobicContact CG2-CG1 3.96Å; T227-L271 HydrophobicContact CG2-CB 4.07Å; T227-L271 HydrophobicContact CG2-CD1 4.27Å; T227-Y275 HydrophobicContact CG2-CD2 4.04Å; T227-Y275 HydrophobicContact CG2-CE2 4.3Å
228	G	82.6	Confident	78.5	Confident	12 Å²	12	29.3 Å²	29.3	12%	0.124	18%	0.175	C	C	.	.	H	α-helix	trans	-56.6	-42.9	172.9	0	0	0	0	0	112.5	K224 L225 I230 I231 T232	K224-G228 PolarHBondContact O-N 3.44Å; L225-G228 PolarHBondContact O-N 3.29Å; G228-I230 VanDerWaalsContact C-N 3.35Å; G228-I230 PolarHBondContact O-N 3.26Å; G228-I231 PolarHBondContact O-N 3.07Å; G228-T232 PolarHBondContact O-N 3.29Å
229	C	86.7	Confident	80.9	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.5	-40.9	174.3	-60.4	0	0	0	0	112.8	W109 M166 I175 L225 K226 T227 W233	W109-C229 HydrophobicContact CH2-CB 3.62Å; W109-C229 VanDerWaalsContact CH2-SG 3.55Å; W109-C229 HydrophobicContact CZ2-CB 4.39Å; W109-C229 HydrophobicContact CZ3-CB 4.01Å; M166-C229 HydrophobicContact CG-CB 4.02Å; I175-C229 VanDerWaalsContact CD1-SG 3.54Å; L225-C229 PolarHBondContact O-N 3.16Å; L225-C229 PolarHBondContact O-SG 2.87Å; K226-C229 WeakPolarHBondContact O-CB 3.23Å; K226-C229 PolarHBondContact O-N 3.41Å; T227-C229 VanDerWaalsContact C-N 3.3Å; T227-C229 PolarHBondContact O-N 3.31Å; C229-W233 PolarHBondContact O-N 3Å
230	I	89.7	Confident	83.2	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-66.7	-41.5	178.1	-66.2	161.7	0	0	0	110.7	M166 K226 T227 G228 W233 I234 L256 W268 L271	M166-I230 HydrophobicContact CE-CD1 3.91Å; M166-I230 HydrophobicContact CE-CG1 3.46Å; M166-I230 VanDerWaalsContact CE-CG1 3.46Å; M166-I230 HydrophobicContact SD-CG1 4.23Å; K226-I230 WeakPolarHBondContact O-CG1 3.42Å; K226-I230 PolarHBondContact O-N 3Å; T227-I230 PolarHBondContact O-N 3.44Å; T227-I230 VanDerWaalsContact O-N 3.12Å; G228-I230 VanDerWaalsContact C-N 3.35Å; G228-I230 PolarHBondContact O-N 3.26Å; I230-W233 PolarHBondContact O-N 3.44Å; I230-I234 HydrophobicContact CG2-CD1 3.64Å; I230-I234 HydrophobicContact CG2-CG1 4.3Å; I230-I234 VanDerWaalsContact O-CG1 3.32Å; I230-I234 WeakPolarHBondContact O-CG1 3.42Å; I230-I234 PolarHBondContact O-N 3.3Å; I230-L256 HydrophobicContact CG1-CD2 4.37Å; I230-L256 HydrophobicContact CG2-CD2 4.3Å; I230-W268 HydrophobicContact CD1-CD2 4.47Å; I230-W268 HydrophobicContact CD1-CZ2 4.34Å; I230-W268 HydrophobicContact CG2-CH2 3.91Å; I230-W268 HydrophobicContact CG2-CZ2 4.33Å; I230-W268 HydrophobicContact CG2-CZ3 4.13Å; I230-L271 HydrophobicContact CG2-CD2 3.79Å
231	I	89.6	Confident	85.1	Confident	14 Å²	14	24.1 Å²	24.1	7%	0.072	12%	0.118	C	C	.	.	H	α-helix	trans	-58.7	-50.3	-179.6	-71.8	167.4	0	0	0	111.8	T227 G228 W233 I234 D235 L271 Y275 H278	T227-I231 HydrophobicContact CG2-CD1 4.07Å; T227-I231 WeakPolarHBondContact O-CG1 3.28Å; T227-I231 PolarHBondContact O-N 3.21Å; G228-I231 PolarHBondContact O-N 3.07Å; I231-W233 VanDerWaalsContact C-N 3.29Å; I231-W233 PolarHBondContact O-N 3.23Å; I231-I234 WeakPolarHBondContact O-CB 3.43Å; I231-I234 PolarHBondContact O-N 3.12Å; I231-I234 VanDerWaalsContact O-N 3.16Å; I231-D235 PolarHBondContact O-N 3.11Å; I231-L271 HydrophobicContact CD1-CD1 4.09Å; I231-L271 HydrophobicContact CG1-CD1 3.46Å; I231-L271 VanDerWaalsContact CG1-CD1 3.46Å; I231-Y275 HydrophobicContact CD1-CD1 3.95Å; I231-Y275 HydrophobicContact CD1-CD2 3.67Å; I231-Y275 HydrophobicContact CD1-CE1 4.3Å; I231-Y275 HydrophobicContact CD1-CE2 4.01Å; I231-Y275 HydrophobicContact CD1-CG 3.62Å; I231-H278 HydrophobicContact CG1-CB 4.49Å
232	T	89.2	Confident	86.5	Confident	20 Å²	20	24.9 Å²	24.9	12%	0.123	12%	0.12	C	C	.	.	H	α-helix	trans	-66.6	-33.3	-178.4	72.1	0	0	0	0	112	W109 L113 G228 D235 I236	W109-T232 HydrophobicContact CE3-CG2 4.32Å; W109-T232 VanDerWaalsContact CZ3-OG1 3.23Å; W109-T232 WeakPolarHBondContact CZ3-OG1 3.45Å; L113-T232 HydrophobicContact CD2-CG2 4.43Å; G228-T232 PolarHBondContact O-N 3.29Å; T232-D235 PolarHBondContact O-N 3.5Å; T232-I236 WeakPolarHBondContact O-CB 3.4Å; T232-I236 WeakPolarHBondContact O-CD1 3.37Å; T232-I236 WeakPolarHBondContact O-CG1 3.46Å; T232-I236 PolarHBondContact O-N 3.41Å
233	W	93.7	Very high	87.8	Confident	2 Å²	2	24.2 Å²	24.2	1%	0.008	12%	0.116	C	C	.	.	H	α-helix	trans	-67.6	-35.4	174.7	-81.9	120.8	0	0	0	112.8	L108 L158 L161 V162 S165 C229 I230 I231 I236 A237 I252 L256	L108-W233 HydrophobicContact CD2-CH2 4.21Å; L108-W233 HydrophobicContact CD2-CZ2 3.5Å; L108-W233 VanDerWaalsContact CD2-CZ2 3.5Å; L158-W233 HydrophobicContact CD1-CH2 4.1Å; L158-W233 HydrophobicContact CD1-CZ3 4.2Å; L161-W233 HydrophobicContact CD2-CH2 3.82Å; L161-W233 HydrophobicContact CD2-CZ2 3.72Å; V162-W233 HydrophobicContact CB-CD2 4.39Å; V162-W233 HydrophobicContact CB-CZ2 4.22Å; V162-W233 HydrophobicContact CG1-CD2 4.12Å; V162-W233 HydrophobicContact CG1-CG 4.07Å; V162-W233 HydrophobicContact CG2-CD2 3.81Å; V162-W233 HydrophobicContact CG2-CE3 3.82Å; V162-W233 HydrophobicContact CG2-CH2 3.74Å; V162-W233 HydrophobicContact CG2-CZ2 3.72Å; V162-W233 HydrophobicContact CG2-CZ3 3.79Å; S165-W233 PolarHBondContact OG-NE1 3.26Å; C229-W233 PolarHBondContact O-N 3Å; I230-W233 PolarHBondContact O-N 3.44Å; I231-W233 VanDerWaalsContact C-N 3.29Å; I231-W233 PolarHBondContact O-N 3.23Å; W233-I236 HydrophobicContact CD2-CD1 4.5Å; W233-I236 HydrophobicContact CE3-CB 4.31Å; W233-I236 HydrophobicContact CE3-CD1 4Å; W233-I236 HydrophobicContact CE3-CG2 4.25Å; W233-I236 HydrophobicContact CZ3-CD1 4.15Å; W233-I236 HydrophobicContact CZ3-CG2 4.17Å; W233-A237 WeakPolarHBondContact O-CB 3.3Å; W233-A237 PolarHBondContact O-N 2.88Å; W233-I252 HydrophobicContact CB-CG2 4.08Å; W233-I252 HydrophobicContact CD2-CG2 4.38Å; W233-I252 HydrophobicContact CE3-CD1 3.8Å; W233-I252 HydrophobicContact CE3-CG1 3.85Å; W233-I252 HydrophobicContact CE3-CG2 3.88Å; W233-I252 HydrophobicContact CZ3-CD1 3.77Å; W233-I252 HydrophobicContact CZ3-CG1 3.9Å; W233-L256 HydrophobicContact CB-CD1 4.22Å; W233-L256 HydrophobicContact CB-CD2 4.26Å
234	I	93.8	Very high	89.1	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.1	-43.8	171	-69.5	164.3	0	0	0	110.8	I230 I231 A237 Y238 L256 L271 H278 K281 F282	I230-I234 HydrophobicContact CG2-CD1 3.64Å; I230-I234 HydrophobicContact CG2-CG1 4.3Å; I230-I234 VanDerWaalsContact O-CG1 3.32Å; I230-I234 WeakPolarHBondContact O-CG1 3.42Å; I230-I234 PolarHBondContact O-N 3.3Å; I231-I234 WeakPolarHBondContact O-CB 3.43Å; I231-I234 PolarHBondContact O-N 3.12Å; I231-I234 VanDerWaalsContact O-N 3.16Å; I234-A237 PolarHBondContact O-N 2.86Å; I234-Y238 WeakPolarHBondContact O-CB 3.26Å; I234-Y238 PolarHBondContact O-N 3.01Å; I234-L256 HydrophobicContact CG1-CD1 4.03Å; I234-L271 HydrophobicContact CD1-CD1 4.32Å; I234-L271 HydrophobicContact CD1-CD2 3.87Å; I234-H278 HydrophobicContact CD1-CB 4.46Å; I234-H278 HydrophobicContact CG2-CB 4.31Å; I234-H278 WeakPolarHBondContact CG2-O 3.27Å; I234-K281 HydrophobicContact CG2-CB 3.68Å; I234-K281 HydrophobicContact CG2-CD 4.42Å; I234-F282 HydrophobicContact CD1-CB 3.8Å; I234-F282 HydrophobicContact CD1-CG 4.4Å; I234-F282 HydrophobicContact CG1-CB 3.99Å; I234-F282 HydrophobicContact CG1-CD2 4.3Å; I234-F282 HydrophobicContact CG2-CB 4.46Å
235	D	92.1	Very high	90.3	Very high	31 Å²	31	20.6 Å²	20.6	17%	0.166	10%	0.098	C	C	.	.	H	α-helix	trans	-73.4	-35.6	-178.8	-68.4	-27.8	0	0	0	112.6	L113 I231 T232 Y238 R239 H278 K281	L113-D235 HydrophobicContact CD1-CB 3.98Å; I231-D235 PolarHBondContact O-N 3.11Å; T232-D235 PolarHBondContact O-N 3.5Å; D235-Y238 WeakPolarHBondContact O-CB 3.45Å; D235-Y238 PolarHBondContact O-N 2.97Å; D235-R239 PolarHBondContact O-N 2.88Å; D235-H278 IonicContact OD1-CE1 3.07Å; D235-H278 PolarHBondContact OD1-CE1 3.02Å; D235-H278 IonicContact OD1-ND1 3.51Å; D235-H278 PolarHBondContact OD1-ND1 3.29Å; D235-H278 IonicContact OD2-CE1 3.67Å; D235-H278 PolarHBondContact OD2-CE1 2.87Å; D235-H278 IonicContact OD2-ND1 2.7Å; D235-H278 PolarHBondContact OD2-ND1 3.15Å; D235-K281 IonicContact OD1-NZ 2.73Å
236	I	93.5	Very high	91.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-61.8	-44.6	168.8	-68.6	161	0	0	0	110.1	L113 V116 L120 T232 W233 Y238 R239 L240 I252	L113-I236 HydrophobicContact CB-CG1 4.16Å; L113-I236 HydrophobicContact CD2-CD1 4.07Å; L113-I236 HydrophobicContact CD2-CG1 3.96Å; V116-I236 HydrophobicContact CB-CD1 4.46Å; V116-I236 HydrophobicContact CG1-CD1 4.02Å; V116-I236 HydrophobicContact CG1-CG1 4.37Å; V116-I236 HydrophobicContact CG1-CG2 4.19Å; L120-I236 HydrophobicContact CD1-CG2 4.34Å; T232-I236 WeakPolarHBondContact O-CB 3.4Å; T232-I236 WeakPolarHBondContact O-CD1 3.37Å; T232-I236 WeakPolarHBondContact O-CG1 3.46Å; T232-I236 PolarHBondContact O-N 3.41Å; W233-I236 HydrophobicContact CD2-CD1 4.5Å; W233-I236 HydrophobicContact CE3-CB 4.31Å; W233-I236 HydrophobicContact CE3-CD1 4Å; W233-I236 HydrophobicContact CE3-CG2 4.25Å; W233-I236 HydrophobicContact CZ3-CD1 4.15Å; W233-I236 HydrophobicContact CZ3-CG2 4.17Å; I236-Y238 VanDerWaalsContact C-N 3.32Å; I236-Y238 PolarHBondContact O-N 3.39Å; I236-R239 PolarHBondContact O-N 3.45Å; I236-L240 HydrophobicContact CG2-CD1 3.91Å; I236-L240 WeakPolarHBondContact O-CG 3.4Å; I236-L240 PolarHBondContact O-N 2.79Å; I236-I252 HydrophobicContact CG2-CD1 3.97Å
237	A	96.1	Very high	92.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.8	-37.9	174.5	0	0	0	0	0	112.1	W233 I234 L240 R241 L249 I252 L285	W233-A237 WeakPolarHBondContact O-CB 3.3Å; W233-A237 PolarHBondContact O-N 2.88Å; I234-A237 PolarHBondContact O-N 2.86Å; A237-L240 PolarHBondContact O-N 3.21Å; A237-R241 PolarHBondContact O-N 3.49Å; A237-L249 HydrophobicContact CB-CD1 3.84Å; A237-I252 HydrophobicContact CB-CB 4.48Å; A237-I252 HydrophobicContact CB-CG2 4.09Å; A237-L285 HydrophobicContact CB-CD1 3.9Å
238	Y	94.9	Very high	92.8	Very high	38 Å²	38	18.3 Å²	18.3	15%	0.149	9%	0.086	C	C	.	.	H	α-helix	trans	-64	-41	174.8	-168.9	-107.4	0	0	0	111.9	I234 D235 I236 R241 Q242 K281 L285 Y341	I234-Y238 WeakPolarHBondContact O-CB 3.26Å; I234-Y238 PolarHBondContact O-N 3.01Å; D235-Y238 WeakPolarHBondContact O-CB 3.45Å; D235-Y238 PolarHBondContact O-N 2.97Å; I236-Y238 VanDerWaalsContact C-N 3.32Å; I236-Y238 PolarHBondContact O-N 3.39Å; Y238-R241 PolarHBondContact O-N 3.17Å; Y238-Q242 WeakPolarHBondContact O-CG 3.29Å; Y238-Q242 PolarHBondContact O-N 3.39Å; Y238-K281 HydrophobicContact CD2-CG 4.29Å; Y238-K281 HydrophobicContact CG-CD 4.49Å; Y238-L285 HydrophobicContact CD2-CD1 4.41Å; Y238-L285 HydrophobicContact CD2-CD2 4.36Å; Y238-Y341 WeakPolarHBondContact OH-CD1 3.2Å
239	R	93.6	Very high	93.5	Very high	88 Å²	88	17.7 Å²	17.7	33%	0.332	8%	0.08	S	C	.	.	H	α-helix	trans	-64.5	-39.2	170.2	-74.3	-56.9	-152.6	-175.3	5.5	112.8	D114 A117 D235 I236 R241 Q242 T243	D114-R239 IonicContact OD1-CZ 3.74Å; D114-R239 IonicContact OD1-NE 3.98Å; D114-R239 PolarHBondContact OD1-NE 3.21Å; D114-R239 IonicContact OD1-NH2 2.85Å; D114-R239 PolarHBondContact OD1-NH2 3.24Å; D114-R239 IonicContact OD2-CZ 2.89Å; D114-R239 IonicContact OD2-NE 2.84Å; D114-R239 IonicContact OD2-NH2 2.9Å; D114-R239 PolarHBondContact OD2-NH2 3.2Å; A117-R239 HydrophobicContact CB-CB 3.51Å; D235-R239 PolarHBondContact O-N 2.88Å; I236-R239 PolarHBondContact O-N 3.45Å; R239-R241 VanDerWaalsContact C-N 3.33Å; R239-R241 PolarHBondContact O-N 3.35Å; R239-Q242 VanDerWaalsContact CD-OE1 3.28Å; R239-Q242 CarbonylContact O-C 3.6Å; R239-Q242 WeakPolarHBondContact O-CA 3.42Å; R239-Q242 WeakPolarHBondContact O-CB 3.48Å; R239-Q242 PolarHBondContact O-N 3.42Å; R239-T243 PolarHBondContact O-N 3.35Å
240	L	95.4	Very high	94	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-67.1	-29.6	176.2	-71.4	163.4	0	0	0	113.2	A117 L120 I236 A237 T243 R244 N245 A248 L249 I252	A117-L240 HydrophobicContact CB-CD2 4.05Å; A117-L240 HydrophobicContact CB-CG 3.95Å; A117-L240 WeakPolarHBondContact O-CD2 3.15Å; L120-L240 HydrophobicContact CB-CD2 4.27Å; L120-L240 HydrophobicContact CD1-CD1 4.24Å; I236-L240 HydrophobicContact CG2-CD1 3.91Å; I236-L240 WeakPolarHBondContact O-CG 3.4Å; I236-L240 PolarHBondContact O-N 2.79Å; A237-L240 PolarHBondContact O-N 3.21Å; L240-T243 PolarHBondContact O-OG1 2.95Å; L240-R244 PolarHBondContact O-N 2.79Å; L240-N245 HydrophobicContact CD2-CB 4.01Å; L240-N245 PolarHBondContact O-N 2.92Å; L240-A248 HydrophobicContact CD1-CB 3.72Å; L240-A248 HydrophobicContact CD2-CB 4.02Å; L240-A248 HydrophobicContact CG-CB 4.44Å; L240-L249 HydrophobicContact CB-CB 4.29Å; L240-I252 HydrophobicContact CD1-CD1 3.36Å
241	R	94.5	Very high	94.4	Very high	22 Å²	22	17.7 Å²	17.7	8%	0.083	8%	0.08	C	C	.	.	H	α-helix	trans	-61.9	-43.4	164.8	179.4	-173.5	168.3	-84.4	1.9	111	A237 Y238 R239 R244 L249 Y284 L285 D338	A237-R241 PolarHBondContact O-N 3.49Å; Y238-R241 PolarHBondContact O-N 3.17Å; R239-R241 VanDerWaalsContact C-N 3.33Å; R239-R241 PolarHBondContact O-N 3.35Å; R241-R244 PolarHBondContact O-N 3.36Å; R241-R244 VanDerWaalsContact O-N 3.08Å; R241-L249 HydrophobicContact CB-CD2 4.14Å; R241-Y284 PolarHBondContact NE-OH 2.99Å; R241-Y284 PolarHBondContact NH2-OH 3.38Å; R241-L285 HydrophobicContact CB-CD2 3.76Å; R241-L285 HydrophobicContact CG-CD2 4.35Å; R241-D338 IonicContact CZ-OD1 3.41Å; R241-D338 PolarHBondContact NH2-O 3.35Å; R241-D338 IonicContact NH2-OD1 3.06Å; R241-D338 PolarHBondContact NH2-OD1 2.83Å
242	Q	91	Very high	94.8	Very high	71 Å²	71	17 Å²	17	33%	0.332	8%	0.077	S	C	.	.	H	α-helix	trans	-66.5	-38.6	179.1	-64.6	175.2	3.2	0	0	112.4	Y238 R239 R244	Y238-Q242 WeakPolarHBondContact O-CG 3.29Å; Y238-Q242 PolarHBondContact O-N 3.39Å; R239-Q242 VanDerWaalsContact CD-OE1 3.28Å; R239-Q242 CarbonylContact O-C 3.6Å; R239-Q242 WeakPolarHBondContact O-CA 3.42Å; R239-Q242 WeakPolarHBondContact O-CB 3.48Å; R239-Q242 PolarHBondContact O-N 3.42Å; Q242-R244 PolarHBondContact O-N 2.93Å
243	T	90.6	Very high	95.1	Very high	29 Å²	29	16.1 Å²	16.1	18%	0.178	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-2.7	170.8	69.2	0	0	0	0	113.2	T121 R239 L240 N245 Y568	T121-T243 PolarHBondContact OG1-OG1 3.33Å; R239-T243 PolarHBondContact O-N 3.35Å; L240-T243 PolarHBondContact O-OG1 2.95Å; T243-N245 PolarHBondContact O-N 3.23Å; T243-Y568 WeakPolarHBondContact O-CE1 3.34Å; T243-Y568 PolarHBondContact O-OH 3.3Å
244	R	94.8	Very high	95.2	Very high	37 Å²	37	17.5 Å²	17.5	14%	0.14	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	26.8	179	-40.6	173.7	83.1	-154.4	8.5	113.1	L240 R241 Q242 Y246 C305 S358 G359 V360 I361	L240-R244 PolarHBondContact O-N 2.79Å; R241-R244 PolarHBondContact O-N 3.36Å; R241-R244 VanDerWaalsContact O-N 3.08Å; Q242-R244 PolarHBondContact O-N 2.93Å; R244-Y246 HydrophobicContact CB-CE2 4.11Å; R244-Y246 WeakPolarHBondContact O-CD2 3.48Å; R244-Y246 PolarHBondContact O-N 2.96Å; R244-C305 PolarHBondContact NH2-SG 3.16Å; R244-S358 WeakPolarHBondContact CD-OG 3.35Å; R244-S358 PolarHBondContact NH1-O 2.88Å; R244-G359 WeakPolarHBondContact CB-O 3.27Å; R244-G359 WeakPolarHBondContact CD-O 3.38Å; R244-V360 HydrophobicContact CB-CG2 4.3Å; R244-I361 PolarHBondContact O-N 2.84Å; R244-I361 VanDerWaalsContact O-N 3.1Å
245	N	96.2	Very high	95.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-85.4	90.2	168.7	-178.2	-2.1	0	0	0	109.6	T121 D124 L240 T243 S247 A248 L249 I361	T121-N245 HydrophobicContact CG2-CB 4.28Å; D124-N245 PolarHBondContact OD2-ND2 2.94Å; D124-N245 PolarHBondContact OD2-OD1 3.37Å; L240-N245 HydrophobicContact CD2-CB 4.01Å; L240-N245 PolarHBondContact O-N 2.92Å; T243-N245 PolarHBondContact O-N 3.23Å; N245-S247 VanDerWaalsContact C-N 3.28Å; N245-S247 PolarHBondContact O-N 3.26Å; N245-S247 WeakPolarHBondContact OD1-CA 3.44Å; N245-S247 WeakPolarHBondContact OD1-CB 3.39Å; N245-S247 PolarHBondContact OD1-N 2.92Å; N245-A248 VanDerWaalsContact ND2-CB 3.29Å; N245-A248 WeakPolarHBondContact ND2-CB 3.42Å; N245-A248 PolarHBondContact OD1-N 3.28Å; N245-L249 WeakPolarHBondContact O-CB 3.45Å; N245-L249 PolarHBondContact O-N 2.84Å; N245-I361 HydrophobicContact CB-CB 4.4Å; N245-I361 HydrophobicContact CB-CD1 4.23Å
246	Y	97.4	Very high	95.5	Very high	12 Å²	12	16 Å²	16	5%	0.047	7%	0.07	C	C	.	.	H	α-helix	trans	-75.4	-15.2	177.6	-60	-78.6	0	0	0	113.2	R244 L249 K250 V288 L298 L302 V360 I361	R244-Y246 HydrophobicContact CB-CE2 4.11Å; R244-Y246 WeakPolarHBondContact O-CD2 3.48Å; R244-Y246 PolarHBondContact O-N 2.96Å; Y246-L249 HydrophobicContact CD1-CD2 4.13Å; Y246-K250 WeakPolarHBondContact O-CB 3.17Å; Y246-K250 PolarHBondContact O-N 2.93Å; Y246-K250 VanDerWaalsContact O-N 3.16Å; Y246-V288 HydrophobicContact CE1-CG1 4.27Å; Y246-L298 HydrophobicContact CD1-CD1 3.58Å; Y246-L298 HydrophobicContact CD2-CD1 4.35Å; Y246-L298 HydrophobicContact CE1-CD1 4.3Å; Y246-L298 HydrophobicContact CG-CD1 3.61Å; Y246-L302 HydrophobicContact CD2-CD2 3.78Å; Y246-L302 HydrophobicContact CE2-CD2 4.18Å; Y246-V360 HydrophobicContact CD2-CG1 4.09Å; Y246-V360 HydrophobicContact CE2-CG1 4.03Å; Y246-I361 WeakPolarHBondContact CB-O 3.32Å; Y246-I361 PolarHBondContact N-O 3.44Å
247	S	97.1	Very high	95.5	Very high	7 Å²	7	17.6 Å²	17.6	5%	0.049	8%	0.078	C	C	.	.	H	α-helix	trans	-69.9	-63.8	174.6	-171.8	0	0	0	0	110.6	Y155 N245 L249 K250 A251	Y155-S247 WeakPolarHBondContact CE2-O 3.29Å; N245-S247 VanDerWaalsContact C-N 3.28Å; N245-S247 PolarHBondContact O-N 3.26Å; N245-S247 WeakPolarHBondContact OD1-CA 3.44Å; N245-S247 WeakPolarHBondContact OD1-CB 3.39Å; N245-S247 PolarHBondContact OD1-N 2.92Å; S247-L249 VanDerWaalsContact C-N 3.32Å; S247-L249 PolarHBondContact O-N 3.21Å; S247-K250 PolarHBondContact O-N 3.38Å; S247-K250 VanDerWaalsContact O-N 3.14Å; S247-A251 PolarHBondContact O-N 3.48Å
248	A	97.2	Very high	95.4	Very high	1 Å²	1	18 Å²	18	1%	0.008	8%	0.08	C	C	.	.	H	α-helix	trans	-62.4	-36.8	178.2	0	0	0	0	0	113	D124 L158 L240 N245 K250 A251 I252	D124-A248 WeakPolarHBondContact OD2-CB 3.32Å; D124-A248 PolarHBondContact OD2-N 2.91Å; L158-A248 HydrophobicContact CD2-CB 3.48Å; L158-A248 VanDerWaalsContact CD2-CB 3.48Å; L240-A248 HydrophobicContact CD1-CB 3.72Å; L240-A248 HydrophobicContact CD2-CB 4.02Å; L240-A248 HydrophobicContact CG-CB 4.44Å; N245-A248 VanDerWaalsContact ND2-CB 3.29Å; N245-A248 WeakPolarHBondContact ND2-CB 3.42Å; N245-A248 PolarHBondContact OD1-N 3.28Å; A248-K250 PolarHBondContact O-N 3.41Å; A248-A251 PolarHBondContact O-N 3.45Å; A248-I252 WeakPolarHBondContact O-CG1 3.49Å; A248-I252 PolarHBondContact O-N 3.14Å
249	L	97.6	Very high	95.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-56.5	-48.8	172.7	170.3	58.9	0	0	0	111.4	A237 L240 R241 N245 Y246 S247 I252 I253 L285 V289	A237-L249 HydrophobicContact CB-CD1 3.84Å; L240-L249 HydrophobicContact CB-CB 4.29Å; R241-L249 HydrophobicContact CB-CD2 4.14Å; N245-L249 WeakPolarHBondContact O-CB 3.45Å; N245-L249 PolarHBondContact O-N 2.84Å; Y246-L249 HydrophobicContact CD1-CD2 4.13Å; S247-L249 VanDerWaalsContact C-N 3.32Å; S247-L249 PolarHBondContact O-N 3.21Å; L249-I252 PolarHBondContact O-N 2.91Å; L249-I253 HydrophobicContact CD1-CG1 3.89Å; L249-I253 WeakPolarHBondContact O-CG1 3.24Å; L249-I253 PolarHBondContact O-N 2.89Å; L249-L285 HydrophobicContact CD1-CB 4.29Å; L249-L285 HydrophobicContact CD1-CD2 3.93Å; L249-V289 HydrophobicContact CD2-CG1 3.77Å; L249-V289 HydrophobicContact CG-CG1 3.84Å
250	K	97.2	Very high	95	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-69.3	-35.3	179	-167.4	161.7	-178.6	147.5	0	111.8	Y155 Y246 S247 A248 I252 I253 M254 V289 Y363	Y155-K250 HydrophobicContact CE2-CB 4.36Å; Y246-K250 WeakPolarHBondContact O-CB 3.17Å; Y246-K250 PolarHBondContact O-N 2.93Å; Y246-K250 VanDerWaalsContact O-N 3.16Å; S247-K250 PolarHBondContact O-N 3.38Å; S247-K250 VanDerWaalsContact O-N 3.14Å; A248-K250 PolarHBondContact O-N 3.41Å; K250-I252 PolarHBondContact O-N 3.14Å; K250-I253 PolarHBondContact O-N 3.29Å; K250-M254 HydrophobicContact CG-CG 3.86Å; K250-M254 VanDerWaalsContact O-CB 3.27Å; K250-M254 WeakPolarHBondContact O-CB 3.47Å; K250-M254 WeakPolarHBondContact O-CG 3.46Å; K250-M254 PolarHBondContact O-N 3.43Å; K250-V289 HydrophobicContact CB-CB 4.25Å; K250-V289 HydrophobicContact CB-CG1 4.35Å; K250-V289 HydrophobicContact CB-CG2 4.42Å; K250-V289 HydrophobicContact CD-CB 4.14Å; K250-V289 WeakPolarHBondContact CE-O 3.41Å; K250-V289 HydrophobicContact CG-CB 4.17Å; K250-V289 HydrophobicContact CG-CG2 4.21Å; K250-V289 PolarHBondContact NZ-O 2.86Å; K250-Y363 HydrophobicContact CB-CG 4.46Å; K250-Y363 HydrophobicContact CD-CD1 3.68Å; K250-Y363 HydrophobicContact CD-CD2 4.48Å; K250-Y363 HydrophobicContact CD-CE1 3.98Å; K250-Y363 HydrophobicContact CD-CG 3.97Å
251	A	97.3	Very high	94.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-57.5	-47.8	174.3	0	0	0	0	0	112.3	Y155 L158 S247 A248 A255	Y155-A251 HydrophobicContact CD2-CB 3.75Å; Y155-A251 HydrophobicContact CE1-CB 4.47Å; Y155-A251 HydrophobicContact CE2-CB 3.62Å; Y155-A251 HydrophobicContact CG-CB 4.25Å; L158-A251 HydrophobicContact CB-CB 4.27Å; L158-A251 HydrophobicContact CD2-CB 3.96Å; L158-A251 HydrophobicContact CG-CB 4.11Å; S247-A251 PolarHBondContact O-N 3.48Å; A248-A251 PolarHBondContact O-N 3.45Å; A251-A255 WeakPolarHBondContact O-CB 3.09Å; A251-A255 PolarHBondContact O-N 2.95Å
252	I	97.2	Very high	94.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-68.8	-45.4	-179.7	-63.8	160.5	0	0	0	111.3	L158 V162 W233 I236 A237 L240 A248 L249 K250 M254 A255 L256	L158-I252 HydrophobicContact CD1-CG1 4.41Å; L158-I252 HydrophobicContact CD2-CD1 4.39Å; L158-I252 HydrophobicContact CD2-CG1 4.2Å; L158-I252 HydrophobicContact CG-CG1 4.26Å; V162-I252 HydrophobicContact CG2-CB 4.36Å; V162-I252 HydrophobicContact CG2-CG1 3.86Å; V162-I252 HydrophobicContact CG2-CG2 4.35Å; W233-I252 HydrophobicContact CB-CG2 4.08Å; W233-I252 HydrophobicContact CD2-CG2 4.38Å; W233-I252 HydrophobicContact CE3-CD1 3.8Å; W233-I252 HydrophobicContact CE3-CG1 3.85Å; W233-I252 HydrophobicContact CE3-CG2 3.88Å; W233-I252 HydrophobicContact CZ3-CD1 3.77Å; W233-I252 HydrophobicContact CZ3-CG1 3.9Å; I236-I252 HydrophobicContact CG2-CD1 3.97Å; A237-I252 HydrophobicContact CB-CB 4.48Å; A237-I252 HydrophobicContact CB-CG2 4.09Å; L240-I252 HydrophobicContact CD1-CD1 3.36Å; A248-I252 WeakPolarHBondContact O-CG1 3.49Å; A248-I252 PolarHBondContact O-N 3.14Å; L249-I252 PolarHBondContact O-N 2.91Å; K250-I252 PolarHBondContact O-N 3.14Å; I252-M254 VanDerWaalsContact C-N 3.34Å; I252-M254 PolarHBondContact O-N 3.02Å; I252-A255 PolarHBondContact O-N 3.22Å; I252-A255 VanDerWaalsContact O-N 3.17Å; I252-L256 HydrophobicContact CG2-CD1 4.17Å; I252-L256 HydrophobicContact CG2-CG 4.42Å; I252-L256 WeakPolarHBondContact O-CG 3.4Å; I252-L256 PolarHBondContact O-N 3.29Å
253	I	97.2	Very high	94.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62.8	-41.1	178.4	-67.4	-66.4	0	0	0	111.1	L249 K250 A255 L256 Q257 F282 L285 A286 V289	L249-I253 HydrophobicContact CD1-CG1 3.89Å; L249-I253 WeakPolarHBondContact O-CG1 3.24Å; L249-I253 PolarHBondContact O-N 2.89Å; K250-I253 PolarHBondContact O-N 3.29Å; I253-A255 VanDerWaalsContact C-N 3.35Å; I253-A255 PolarHBondContact O-N 3.31Å; I253-L256 PolarHBondContact O-N 2.88Å; I253-Q257 VanDerWaalsContact O-CB 3.31Å; I253-Q257 WeakPolarHBondContact O-CB 3.33Å; I253-Q257 WeakPolarHBondContact O-CG 3.04Å; I253-Q257 PolarHBondContact O-N 3.26Å; I253-F282 HydrophobicContact CD1-CD2 3.97Å; I253-F282 HydrophobicContact CD1-CE2 4.15Å; I253-L285 HydrophobicContact CD1-CB 3.72Å; I253-L285 HydrophobicContact CG1-CB 4.32Å; I253-A286 HydrophobicContact CG2-CB 4.21Å; I253-V289 HydrophobicContact CB-CG2 3.97Å; I253-V289 HydrophobicContact CG1-CG2 4.19Å; I253-V289 HydrophobicContact CG2-CG2 3.77Å
254	M	95.7	Very high	94.4	Very high	31 Å²	31	16 Å²	16	15%	0.153	8%	0.079	C	C	.	.	H	α-helix	trans	-65.8	-35.2	174.6	-65.9	-72.7	94.1	0	0	112.4	Y159 K250 I252 Q257 S258 F291	Y159-M254 HydrophobicContact CD2-CB 4.19Å; Y159-M254 HydrophobicContact CE2-CB 4.22Å; K250-M254 HydrophobicContact CG-CG 3.86Å; K250-M254 VanDerWaalsContact O-CB 3.27Å; K250-M254 WeakPolarHBondContact O-CB 3.47Å; K250-M254 WeakPolarHBondContact O-CG 3.46Å; K250-M254 PolarHBondContact O-N 3.43Å; I252-M254 VanDerWaalsContact C-N 3.34Å; I252-M254 PolarHBondContact O-N 3.02Å; M254-Q257 CarbonylContact O-C 3.1Å; M254-Q257 PolarHBondContact O-N 2.71Å; M254-S258 PolarHBondContact O-N 3.48Å; M254-F291 HydrophobicContact CE-CE2 3.99Å; M254-F291 HydrophobicContact SD-CE2 3.61Å; M254-F291 HydrophobicContact SD-CZ 4.01Å
255	A	95.4	Very high	93.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-69.3	-41.1	175.2	0	0	0	0	0	112.3	Y159 V162 A251 I252 I253 Q257 S258 V261	Y159-A255 HydrophobicContact CD2-CB 3.65Å; Y159-A255 HydrophobicContact CE2-CB 4.11Å; Y159-A255 HydrophobicContact CG-CB 4.19Å; Y159-A255 WeakPolarHBondContact O-CB 3.03Å; V162-A255 HydrophobicContact CB-CB 3.61Å; V162-A255 HydrophobicContact CG1-CB 3.59Å; V162-A255 HydrophobicContact CG2-CB 4.16Å; A251-A255 WeakPolarHBondContact O-CB 3.09Å; A251-A255 PolarHBondContact O-N 2.95Å; I252-A255 PolarHBondContact O-N 3.22Å; I252-A255 VanDerWaalsContact O-N 3.17Å; I253-A255 VanDerWaalsContact C-N 3.35Å; I253-A255 PolarHBondContact O-N 3.31Å; A255-Q257 VanDerWaalsContact C-N 3.31Å; A255-Q257 PolarHBondContact O-N 3.45Å; A255-S258 VanDerWaalsContact O-CB 3.27Å; A255-S258 WeakPolarHBondContact O-CB 3.33Å; A255-S258 PolarHBondContact O-N 2.92Å; A255-S258 VanDerWaalsContact O-N 3.16Å; A255-S258 PolarHBondContact O-OG 3.16Å; A255-V261 WeakPolarHBondContact O-CG2 3.43Å
256	L	95.6	Very high	93.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-66.7	-32.1	172.6	-67.8	177.7	0	0	0	112.3	V162 M166 I230 W233 I234 I252 I253 S258 V261 W268 F282	V162-L256 HydrophobicContact CG1-CD2 4.36Å; M166-L256 HydrophobicContact SD-CD2 4.19Å; I230-L256 HydrophobicContact CG1-CD2 4.37Å; I230-L256 HydrophobicContact CG2-CD2 4.3Å; W233-L256 HydrophobicContact CB-CD1 4.22Å; W233-L256 HydrophobicContact CB-CD2 4.26Å; I234-L256 HydrophobicContact CG1-CD1 4.03Å; I252-L256 HydrophobicContact CG2-CD1 4.17Å; I252-L256 HydrophobicContact CG2-CG 4.42Å; I252-L256 WeakPolarHBondContact O-CG 3.4Å; I252-L256 PolarHBondContact O-N 3.29Å; I253-L256 PolarHBondContact O-N 2.88Å; L256-S258 VanDerWaalsContact C-N 3.3Å; L256-V261 HydrophobicContact CD2-CG1 4.24Å; L256-V261 WeakPolarHBondContact O-CG1 3.3Å; L256-W268 HydrophobicContact CB-CH2 4.41Å; L256-W268 HydrophobicContact CB-CZ2 4.47Å; L256-F282 HydrophobicContact CB-CE2 3.85Å; L256-F282 HydrophobicContact CB-CZ 4.49Å; L256-F282 HydrophobicContact CD1-CD2 4.15Å; L256-F282 HydrophobicContact CD1-CE2 4.12Å
257	Q	93.6	Very high	92.7	Very high	34 Å²	34	22 Å²	22	16%	0.159	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	7.1	172.7	-68.7	-176.1	-31.5	0	0	113.8	I253 M254 A255 L262 F282	I253-Q257 VanDerWaalsContact O-CB 3.31Å; I253-Q257 WeakPolarHBondContact O-CB 3.33Å; I253-Q257 WeakPolarHBondContact O-CG 3.04Å; I253-Q257 PolarHBondContact O-N 3.26Å; M254-Q257 CarbonylContact O-C 3.1Å; M254-Q257 PolarHBondContact O-N 2.71Å; A255-Q257 VanDerWaalsContact C-N 3.31Å; A255-Q257 PolarHBondContact O-N 3.45Å; Q257-L262 HydrophobicContact CB-CD1 4.43Å; Q257-L262 WeakPolarHBondContact O-CD1 3.34Å; Q257-F282 HydrophobicContact CG-CE2 4.34Å; Q257-F282 HydrophobicContact CG-CZ 3.83Å
258	S	93.6	Very high	92.3	Very high	7 Å²	7	22.1 Å²	22.1	5%	0.049	10%	0.104	C	C	.	.	S	Bend	trans	-76.3	149.3	177.6	72.3	0	0	0	0	111.4	Y159 Q163 M254 A255 L256 P260 V261 L262	Y159-S258 WeakPolarHBondContact OH-CB 3.49Å; Q163-S258 PolarHBondContact NE2-OG 3.08Å; M254-S258 PolarHBondContact O-N 3.48Å; A255-S258 VanDerWaalsContact O-CB 3.27Å; A255-S258 WeakPolarHBondContact O-CB 3.33Å; A255-S258 PolarHBondContact O-N 2.92Å; A255-S258 VanDerWaalsContact O-N 3.16Å; A255-S258 PolarHBondContact O-OG 3.16Å; L256-S258 VanDerWaalsContact C-N 3.3Å; S258-P260 VanDerWaalsContact C-CD 3.47Å; S258-P260 WeakPolarHBondContact OG-CG 3.38Å; S258-V261 PolarHBondContact O-N 2.83Å; S258-L262 PolarHBondContact O-N 3.41Å
259	T	90.5	Very high	91.8	Very high	66 Å²	66	25.8 Å²	25.8	41%	0.405	12%	0.123	S	C	.	.	H	α-helix	trans	-46.9	-46.3	178.8	-47.3	0	0	0	0	115	V261 R263 L592 I655	T259-V261 VanDerWaalsContact C-N 3.27Å; T259-V261 PolarHBondContact O-N 2.94Å; T259-R263 WeakPolarHBondContact O-CG 3.19Å; T259-R263 PolarHBondContact O-N 2.79Å; T259-L592 HydrophobicContact CG2-CD1 4.2Å; T259-I655 VanDerWaalsContact OG1-CD1 3.3Å; T259-I655 WeakPolarHBondContact OG1-CD1 3.45Å
260	P	90.9	Very high	91.2	Very high	2 Å²	2	27 Å²	27	1%	0.013	13%	0.13	C	C	.	.	H	α-helix	trans	-65.2	-26.8	177.2	26	-36.1	0	0	0	113.5	F167 S258 R263 A591 L592 S595	F167-P260 HydrophobicContact CE2-CB 4Å; F167-P260 HydrophobicContact CZ-CB 4.25Å; F167-P260 WeakPolarHBondContact CZ-O 3.48Å; S258-P260 VanDerWaalsContact C-CD 3.47Å; S258-P260 WeakPolarHBondContact OG-CG 3.38Å; P260-R263 WeakPolarHBondContact O-CG 3.47Å; P260-A591 HydrophobicContact CB-CB 3.9Å; P260-A591 HydrophobicContact CG-CB 3.92Å; P260-L592 HydrophobicContact CB-CB 4.47Å; P260-S595 WeakPolarHBondContact O-CB 3.4Å; P260-S595 PolarHBondContact O-OG 2.78Å
261	V	90.8	Very high	90.8	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-89.5	-41.3	179.9	180	0	0	0	0	111.9	M166 F167 A255 L256 S258 T259 R263 L264 W268	M166-V261 HydrophobicContact CE-CG1 3.69Å; M166-V261 HydrophobicContact CE-CG2 4.23Å; M166-V261 HydrophobicContact SD-CG1 3.87Å; M166-V261 HydrophobicContact SD-CG2 3.8Å; F167-V261 HydrophobicContact CE2-CG2 4.04Å; F167-V261 HydrophobicContact CZ-CG2 4.35Å; A255-V261 WeakPolarHBondContact O-CG2 3.43Å; L256-V261 HydrophobicContact CD2-CG1 4.24Å; L256-V261 WeakPolarHBondContact O-CG1 3.3Å; S258-V261 PolarHBondContact O-N 2.83Å; T259-V261 VanDerWaalsContact C-N 3.27Å; T259-V261 PolarHBondContact O-N 2.94Å; V261-R263 VanDerWaalsContact C-N 3.26Å; V261-R263 PolarHBondContact O-N 2.92Å; V261-L264 WeakPolarHBondContact O-CB 3.49Å; V261-L264 PolarHBondContact O-N 3.13Å; V261-W268 HydrophobicContact CG1-CZ2 3.99Å; V261-W268 PolarHBondContact O-NE1 3.12Å
262	L	89.8	Confident	90.4	Very high	72 Å²	72	30 Å²	30	38%	0.377	15%	0.145	S	C	.	.	H	α-helix	trans	-66.1	-24.9	179.8	-72.9	-177.9	0	0	0	113.9	Q257 S258 L264 W268	Q257-L262 HydrophobicContact CB-CD1 4.43Å; Q257-L262 WeakPolarHBondContact O-CD1 3.34Å; S258-L262 PolarHBondContact O-N 3.41Å; L262-L264 PolarHBondContact O-N 3.09Å; L262-W268 HydrophobicContact CD2-CZ2 4.22Å
263	R	90.1	Very high	89.8	Confident	66 Å²	66	39.1 Å²	39.1	25%	0.249	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-10.3	177.4	68.8	169	-75.3	146.1	5.7	114.6	T259 P260 V261 W265 S595 C596 E599	T259-R263 WeakPolarHBondContact O-CG 3.19Å; T259-R263 PolarHBondContact O-N 2.79Å; P260-R263 WeakPolarHBondContact O-CG 3.47Å; V261-R263 VanDerWaalsContact C-N 3.26Å; V261-R263 PolarHBondContact O-N 2.92Å; R263-W265 PolarHBondContact O-N 2.83Å; R263-S595 WeakPolarHBondContact CD-OG 3.16Å; R263-S595 WeakPolarHBondContact CG-OG 3.38Å; R263-S595 PolarHBondContact NE-O 3.27Å; R263-S595 PolarHBondContact NE-OG 2.96Å; R263-C596 PolarHBondContact NH1-SG 3.28Å; R263-E599 PolarHBondContact NH2-O 3.11Å
264	L	87	Confident	89.2	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	20%	0.202	C	C	.	.			trans	-76.3	59.1	176.4	-62.8	177.2	0	0	0	110.6	M166 F167 K226 V261 L262 H266 S267 W268 S595 E599	M166-L264 HydrophobicContact CE-CD1 3.86Å; F167-L264 HydrophobicContact CE1-CD1 3.94Å; F167-L264 HydrophobicContact CE1-CD2 4.4Å; F167-L264 HydrophobicContact CZ-CD1 3.9Å; K226-L264 HydrophobicContact CB-CD1 4.35Å; V261-L264 WeakPolarHBondContact O-CB 3.49Å; V261-L264 PolarHBondContact O-N 3.13Å; L262-L264 PolarHBondContact O-N 3.09Å; L264-H266 PolarHBondContact O-N 3.01Å; L264-S267 WeakPolarHBondContact O-CA 3.48Å; L264-S267 WeakPolarHBondContact O-CB 3.42Å; L264-S267 PolarHBondContact O-N 2.9Å; L264-W268 PolarHBondContact O-N 2.99Å; L264-S595 VanDerWaalsContact CD2-OG 3.3Å; L264-S595 WeakPolarHBondContact CD2-OG 3.36Å; L264-E599 VanDerWaalsContact CA-CD 3.46Å; L264-E599 WeakPolarHBondContact CA-OE1 3.46Å; L264-E599 WeakPolarHBondContact CA-OE2 3.5Å; L264-E599 WeakPolarHBondContact CB-OE1 3.32Å; L264-E599 HydrophobicContact CD2-CB 4.26Å; L264-E599 HydrophobicContact CD2-CG 3.95Å
265	W	85	Confident	88.9	Confident	104 Å²	104	44.6 Å²	44.6	39%	0.394	20%	0.203	S	C	.	.	H	α-helix	trans	-60.5	-33	-169.7	71.7	-85.8	0	0	0	112.3	R263 N269 E599	R263-W265 PolarHBondContact O-N 2.83Å; W265-N269 WeakPolarHBondContact O-CB 3.4Å; W265-N269 PolarHBondContact O-N 3.36Å; W265-N269 PolarHBondContact O-OD1 3.47Å; W265-E599 PolarHBondContact N-OE2 2.95Å
266	H	81.6	Confident	88.6	Confident	70 Å²	70	49.2 Å²	49.2	32%	0.324	23%	0.225	S	C	.	.	H	α-helix	trans	-66.7	-44.3	175.5	-167.7	82.1	0	0	0	110.4	L264 N269 V270 E599	L264-H266 PolarHBondContact O-N 3.01Å; H266-N269 PolarHBondContact O-N 2.91Å; H266-V270 WeakPolarHBondContact O-CG2 3.35Å; H266-V270 PolarHBondContact O-N 3.01Å; H266-E599 PolarHBondContact N-OE2 2.85Å
267	S	86.2	Confident	88.3	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.3	-40.5	177.1	-50.7	0	0	0	0	112.5	T227 L264 L271 E599	T227-S267 WeakPolarHBondContact OG1-CA 3.21Å; T227-S267 PolarHBondContact OG1-O 2.81Å; T227-S267 VanDerWaalsContact OG1-O 3.11Å; L264-S267 WeakPolarHBondContact O-CA 3.48Å; L264-S267 WeakPolarHBondContact O-CB 3.42Å; L264-S267 PolarHBondContact O-N 2.9Å; S267-L271 PolarHBondContact O-N 2.85Å; S267-L271 VanDerWaalsContact O-N 3.15Å; S267-E599 PolarHBondContact N-OE1 3.18Å; S267-E599 PolarHBondContact OG-OE1 3.47Å
268	W	89.7	Confident	88.2	Confident	11 Å²	11	54.2 Å²	54.2	4%	0.042	25%	0.248	C	C	.	.	H	α-helix	trans	-70	-35.8	174.7	-74.9	104.2	0	0	0	113.3	I230 L256 V261 L262 L264 L271 E272 F279 F282	I230-W268 HydrophobicContact CD1-CD2 4.47Å; I230-W268 HydrophobicContact CD1-CZ2 4.34Å; I230-W268 HydrophobicContact CG2-CH2 3.91Å; I230-W268 HydrophobicContact CG2-CZ2 4.33Å; I230-W268 HydrophobicContact CG2-CZ3 4.13Å; L256-W268 HydrophobicContact CB-CH2 4.41Å; L256-W268 HydrophobicContact CB-CZ2 4.47Å; V261-W268 HydrophobicContact CG1-CZ2 3.99Å; V261-W268 PolarHBondContact O-NE1 3.12Å; L262-W268 HydrophobicContact CD2-CZ2 4.22Å; L264-W268 PolarHBondContact O-N 2.99Å; W268-L271 HydrophobicContact CE3-CD2 3.56Å; W268-L271 HydrophobicContact CZ3-CD2 3.5Å; W268-L271 WeakPolarHBondContact O-CB 3.48Å; W268-L271 PolarHBondContact O-N 2.91Å; W268-E272 PolarHBondContact O-N 2.97Å; W268-F279 HydrophobicContact CE3-CE2 4.46Å; W268-F282 HydrophobicContact CH2-CD1 4.09Å; W268-F282 HydrophobicContact CH2-CD2 4.29Å; W268-F282 AromaticContact CH2-CE1 3.69Å; W268-F282 HydrophobicContact CH2-CE1 3.69Å; W268-F282 AromaticContact CH2-CE2 3.93Å; W268-F282 HydrophobicContact CH2-CE2 3.93Å; W268-F282 HydrophobicContact CH2-CG 4.37Å; W268-F282 AromaticContact CH2-CZ 3.59Å; W268-F282 HydrophobicContact CH2-CZ 3.59Å; W268-F282 HydrophobicContact CZ2-CZ 4.46Å; W268-F282 AromaticContact CZ3-CD1 3.73Å; W268-F282 HydrophobicContact CZ3-CD1 3.73Å; W268-F282 AromaticContact CZ3-CE1 3.63Å; W268-F282 HydrophobicContact CZ3-CE1 3.63Å; W268-F282 HydrophobicContact CZ3-CG 4.21Å; W268-F282 HydrophobicContact CZ3-CZ 4.05Å
269	N	86.2	Confident	88.1	Confident	78 Å²	78	54 Å²	54	42%	0.417	25%	0.246	S	C	.	.	H	α-helix	trans	-66.6	-39.9	175.2	-77.3	-0.2	0	0	0	112.1	W265 H266 L271 E272 Y273	W265-N269 WeakPolarHBondContact O-CB 3.4Å; W265-N269 PolarHBondContact O-N 3.36Å; W265-N269 PolarHBondContact O-OD1 3.47Å; H266-N269 PolarHBondContact O-N 2.91Å; N269-L271 VanDerWaalsContact C-N 3.3Å; N269-L271 PolarHBondContact O-N 2.92Å; N269-E272 PolarHBondContact O-N 2.95Å; N269-Y273 WeakPolarHBondContact O-CB 3.01Å; N269-Y273 PolarHBondContact O-N 2.85Å
270	V	85.4	Confident	88.2	Confident	24 Å²	24	54.8 Å²	54.8	15%	0.145	25%	0.246	C	C	.	.	H	α-helix	trans	-62.5	-39.2	173.8	174.2	0	0	0	0	110.4	T227 H266 H274 Y275	T227-V270 HydrophobicContact CG2-CB 4.34Å; T227-V270 HydrophobicContact CG2-CG1 3.96Å; H266-V270 WeakPolarHBondContact O-CG2 3.35Å; H266-V270 PolarHBondContact O-N 3.01Å; V270-H274 WeakPolarHBondContact O-CB 3.47Å; V270-H274 PolarHBondContact O-N 3.45Å; V270-Y275 HydrophobicContact CG1-CE2 4.43Å
271	L	88.3	Confident	88.4	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63	-49.6	173.6	-172.8	75	0	0	0	112.7	T227 I230 I231 I234 S267 W268 N269 Y273 Y275 H276 H278 F279	T227-L271 HydrophobicContact CG2-CB 4.07Å; T227-L271 HydrophobicContact CG2-CD1 4.27Å; I230-L271 HydrophobicContact CG2-CD2 3.79Å; I231-L271 HydrophobicContact CD1-CD1 4.09Å; I231-L271 HydrophobicContact CG1-CD1 3.46Å; I231-L271 VanDerWaalsContact CG1-CD1 3.46Å; I234-L271 HydrophobicContact CD1-CD1 4.32Å; I234-L271 HydrophobicContact CD1-CD2 3.87Å; S267-L271 PolarHBondContact O-N 2.85Å; S267-L271 VanDerWaalsContact O-N 3.15Å; W268-L271 HydrophobicContact CE3-CD2 3.56Å; W268-L271 HydrophobicContact CZ3-CD2 3.5Å; W268-L271 WeakPolarHBondContact O-CB 3.48Å; W268-L271 PolarHBondContact O-N 2.91Å; N269-L271 VanDerWaalsContact C-N 3.3Å; N269-L271 PolarHBondContact O-N 2.92Å; L271-Y273 PolarHBondContact O-N 3.37Å; L271-Y275 CarbonylContact O-C 3.39Å; L271-Y275 VanDerWaalsContact O-CA 3.31Å; L271-Y275 WeakPolarHBondContact O-CA 3.26Å; L271-Y275 WeakPolarHBondContact O-CB 3.23Å; L271-Y275 PolarHBondContact O-N 3.4Å; L271-H276 PolarHBondContact O-N 3.28Å; L271-H278 HydrophobicContact CD1-CB 4.25Å; L271-F279 HydrophobicContact CD2-CB 4.48Å; L271-F279 HydrophobicContact CD2-CD2 4.05Å; L271-F279 HydrophobicContact CG-CB 4.2Å; L271-F279 HydrophobicContact CG-CD2 4.41Å
272	E	89.1	Confident	88.6	Confident	65 Å²	65	57 Å²	57	30%	0.304	26%	0.256	S	S	.	.	H	α-helix	trans	-66.1	-35.5	-177.9	179	159.5	-151.6	0	0	112.8	W268 N269 H276 F279 K283	W268-E272 PolarHBondContact O-N 2.97Å; N269-E272 PolarHBondContact O-N 2.95Å; E272-H276 PolarHBondContact O-ND1 3.43Å; E272-H276 VanDerWaalsContact O-ND1 3.12Å; E272-F279 HydrophobicContact CB-CD1 3.94Å; E272-F279 HydrophobicContact CB-CD2 4.21Å; E272-F279 HydrophobicContact CB-CE1 3.83Å; E272-F279 HydrophobicContact CB-CE2 4.11Å; E272-F279 HydrophobicContact CB-CG 4.1Å; E272-F279 HydrophobicContact CB-CZ 3.89Å; E272-F279 HydrophobicContact CG-CD1 3.74Å; E272-F279 HydrophobicContact CG-CE1 3.38Å; E272-F279 HydrophobicContact CG-CG 4.4Å; E272-F279 HydrophobicContact CG-CZ 3.8Å; E272-F279 WeakPolarHBondContact OE1-CE1 3.26Å; E272-F279 WeakPolarHBondContact OE1-CZ 3.33Å; E272-F279 WeakPolarHBondContact OE2-CZ 3.22Å; E272-K283 IonicContact OE1-NZ 3.23Å
273	Y	85	Confident	88.8	Confident	190 Å²	190	57.1 Å²	57.1	75%	0.745	25%	0.253	S	S	*	.	H	α-helix	trans	-87.7	-45.7	-176.8	-173.1	-98.7	0	0	0	114.2	N269 L271	N269-Y273 WeakPolarHBondContact O-CB 3.01Å; N269-Y273 PolarHBondContact O-N 2.85Å; L271-Y273 PolarHBondContact O-N 3.37Å
274	H	84.5	Confident	89	Confident	101 Å²	101	57.8 Å²	57.8	47%	0.468	26%	0.256	S	S	.	.	H	α-helix	trans	-94	-27.2	-177	-67.3	-78	0	0	0	113.9	V270	V270-H274 WeakPolarHBondContact O-CB 3.47Å; V270-H274 PolarHBondContact O-N 3.45Å
275	Y	88.1	Confident	89.4	Confident	45 Å²	45	57.7 Å²	57.7	18%	0.176	26%	0.256	C	S	.	.			trans	-126.1	40.9	-168.5	-62.4	-69.3	0	0	0	111.9	P179 T227 I231 V270 L271 E277 H278 F279	P179-Y275 HydrophobicContact CG-CE1 3.97Å; T227-Y275 HydrophobicContact CG2-CD2 4.04Å; T227-Y275 HydrophobicContact CG2-CE2 4.3Å; I231-Y275 HydrophobicContact CD1-CD1 3.95Å; I231-Y275 HydrophobicContact CD1-CD2 3.67Å; I231-Y275 HydrophobicContact CD1-CE1 4.3Å; I231-Y275 HydrophobicContact CD1-CE2 4.01Å; I231-Y275 HydrophobicContact CD1-CG 3.62Å; V270-Y275 HydrophobicContact CG1-CE2 4.43Å; L271-Y275 CarbonylContact O-C 3.39Å; L271-Y275 VanDerWaalsContact O-CA 3.31Å; L271-Y275 WeakPolarHBondContact O-CA 3.26Å; L271-Y275 WeakPolarHBondContact O-CB 3.23Å; L271-Y275 PolarHBondContact O-N 3.4Å; Y275-E277 PolarHBondContact O-N 2.99Å; Y275-H278 PolarHBondContact O-N 3.47Å; Y275-F279 PolarHBondContact O-N 2.86Å
276	H	88.6	Confident	89.9	Confident	98 Å²	98	53.2 Å²	53.2	45%	0.454	24%	0.241	S	C	.	.	H	α-helix	trans	-51.3	-34.1	-170.6	-162.7	82	0	0	0	114.5	L271 E272 F279 M280	L271-H276 PolarHBondContact O-N 3.28Å; E272-H276 PolarHBondContact O-ND1 3.43Å; E272-H276 VanDerWaalsContact O-ND1 3.12Å; H276-F279 PolarHBondContact O-N 3.4Å; H276-M280 WeakPolarHBondContact NE2-CE 3.11Å; H276-M280 WeakPolarHBondContact O-CG 3.35Å; H276-M280 PolarHBondContact O-N 2.92Å
277	E	89.6	Confident	90.5	Very high	108 Å²	108	52.6 Å²	52.6	51%	0.505	25%	0.245	S	C	.	.	H	α-helix	trans	-62.3	-45.9	175.4	-166.5	-160.8	131.8	0	0	112	Y275 F279 M280 K281	Y275-E277 PolarHBondContact O-N 2.99Å; E277-F279 VanDerWaalsContact C-N 3.34Å; E277-M280 PolarHBondContact O-N 3.39Å; E277-K281 WeakPolarHBondContact O-CG 3.44Å; E277-K281 PolarHBondContact O-N 2.92Å; E277-K281 WeakPolarHBondContact OE1-CE 3.37Å; E277-K281 IonicContact OE1-NZ 2.65Å; E277-K281 PolarHBondContact OE1-NZ 3.46Å
278	H	91.5	Very high	90.8	Very high	31 Å²	31	52.7 Å²	52.7	14%	0.144	25%	0.245	C	C	.	.	H	α-helix	trans	-69	-35.1	177.4	-58.8	-92.1	0	0	0	111.1	I231 I234 D235 L271 Y275 M280 K281 F282	I231-H278 HydrophobicContact CG1-CB 4.49Å; I234-H278 HydrophobicContact CD1-CB 4.46Å; I234-H278 HydrophobicContact CG2-CB 4.31Å; I234-H278 WeakPolarHBondContact CG2-O 3.27Å; D235-H278 IonicContact OD1-CE1 3.07Å; D235-H278 PolarHBondContact OD1-CE1 3.02Å; D235-H278 IonicContact OD1-ND1 3.51Å; D235-H278 PolarHBondContact OD1-ND1 3.29Å; D235-H278 IonicContact OD2-CE1 3.67Å; D235-H278 PolarHBondContact OD2-CE1 2.87Å; D235-H278 IonicContact OD2-ND1 2.7Å; D235-H278 PolarHBondContact OD2-ND1 3.15Å; L271-H278 HydrophobicContact CD1-CB 4.25Å; Y275-H278 PolarHBondContact O-N 3.47Å; H278-M280 VanDerWaalsContact C-N 3.32Å; H278-M280 PolarHBondContact O-N 3.23Å; H278-K281 WeakPolarHBondContact O-CB 3.4Å; H278-K281 PolarHBondContact O-N 3.43Å; H278-F282 PolarHBondContact O-N 3.25Å
279	F	91.9	Very high	90.9	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.009	24%	0.244	C	C	.	.	H	α-helix	trans	-62.4	-37.6	172.1	-174.3	-116.3	0	0	0	112.8	W268 L271 E272 Y275 H276 E277 F282 K283 F613	W268-F279 HydrophobicContact CE3-CE2 4.46Å; L271-F279 HydrophobicContact CD2-CB 4.48Å; L271-F279 HydrophobicContact CD2-CD2 4.05Å; L271-F279 HydrophobicContact CG-CB 4.2Å; L271-F279 HydrophobicContact CG-CD2 4.41Å; E272-F279 HydrophobicContact CB-CD1 3.94Å; E272-F279 HydrophobicContact CB-CD2 4.21Å; E272-F279 HydrophobicContact CB-CE1 3.83Å; E272-F279 HydrophobicContact CB-CE2 4.11Å; E272-F279 HydrophobicContact CB-CG 4.1Å; E272-F279 HydrophobicContact CB-CZ 3.89Å; E272-F279 HydrophobicContact CG-CD1 3.74Å; E272-F279 HydrophobicContact CG-CE1 3.38Å; E272-F279 HydrophobicContact CG-CG 4.4Å; E272-F279 HydrophobicContact CG-CZ 3.8Å; E272-F279 WeakPolarHBondContact OE1-CE1 3.26Å; E272-F279 WeakPolarHBondContact OE1-CZ 3.33Å; E272-F279 WeakPolarHBondContact OE2-CZ 3.22Å; Y275-F279 PolarHBondContact O-N 2.86Å; H276-F279 PolarHBondContact O-N 3.4Å; E277-F279 VanDerWaalsContact C-N 3.34Å; F279-F282 WeakPolarHBondContact O-CB 3.17Å; F279-F282 PolarHBondContact O-N 3.21Å; F279-K283 HydrophobicContact CD1-CD 4.41Å; F279-K283 HydrophobicContact CE1-CD 4.03Å; F279-K283 HydrophobicContact CZ-CD 4.36Å; F279-K283 PolarHBondContact O-N 3.08Å; F279-F613 HydrophobicContact CZ-CD1 4.48Å; F279-F613 HydrophobicContact CZ-CE1 4.03Å
280	M	92.9	Very high	91.1	Very high	82 Å²	82	49.2 Å²	49.2	40%	0.404	23%	0.229	S	C	.	.	H	α-helix	trans	-74.3	-35	173.4	-69.1	-59.5	173	0	0	112.9	H276 E277 H278 F282 K283 Y284	H276-M280 WeakPolarHBondContact NE2-CE 3.11Å; H276-M280 WeakPolarHBondContact O-CG 3.35Å; H276-M280 PolarHBondContact O-N 2.92Å; E277-M280 PolarHBondContact O-N 3.39Å; H278-M280 VanDerWaalsContact C-N 3.32Å; H278-M280 PolarHBondContact O-N 3.23Å; M280-F282 VanDerWaalsContact C-N 3.3Å; M280-F282 PolarHBondContact O-N 3.35Å; M280-K283 PolarHBondContact O-N 2.97Å; M280-K283 HydrophobicContact SD-CD 3.98Å; M280-Y284 WeakPolarHBondContact O-CB 3.37Å; M280-Y284 PolarHBondContact O-N 3.39Å
281	K	94	Very high	91.3	Very high	34 Å²	34	52 Å²	52	15%	0.148	24%	0.239	C	C	.	.	H	α-helix	trans	-56.1	-46	166.5	-70.7	171.4	-168	154.8	0	110.6	I234 D235 Y238 E277 H278 Y284 L285	I234-K281 HydrophobicContact CG2-CB 3.68Å; I234-K281 HydrophobicContact CG2-CD 4.42Å; D235-K281 IonicContact OD1-NZ 2.73Å; Y238-K281 HydrophobicContact CD2-CG 4.29Å; Y238-K281 HydrophobicContact CG-CD 4.49Å; E277-K281 WeakPolarHBondContact O-CG 3.44Å; E277-K281 PolarHBondContact O-N 2.92Å; E277-K281 WeakPolarHBondContact OE1-CE 3.37Å; E277-K281 IonicContact OE1-NZ 2.65Å; E277-K281 PolarHBondContact OE1-NZ 3.46Å; H278-K281 WeakPolarHBondContact O-CB 3.4Å; H278-K281 PolarHBondContact O-N 3.43Å; K281-Y284 PolarHBondContact O-N 2.94Å; K281-L285 WeakPolarHBondContact O-CB 3.42Å; K281-L285 WeakPolarHBondContact O-CG 3.5Å; K281-L285 PolarHBondContact O-N 2.81Å
282	F	96	Very high	91.2	Very high	16 Å²	16	56.4 Å²	56.4	7%	0.07	26%	0.262	C	S	.	.	H	α-helix	trans	-60.7	-51.3	177	174.3	-110.2	0	0	0	112.3	I234 I253 L256 Q257 W268 H278 F279 M280 Y284 L285 A286	I234-F282 HydrophobicContact CD1-CB 3.8Å; I234-F282 HydrophobicContact CD1-CG 4.4Å; I234-F282 HydrophobicContact CG1-CB 3.99Å; I234-F282 HydrophobicContact CG1-CD2 4.3Å; I234-F282 HydrophobicContact CG2-CB 4.46Å; I253-F282 HydrophobicContact CD1-CD2 3.97Å; I253-F282 HydrophobicContact CD1-CE2 4.15Å; L256-F282 HydrophobicContact CB-CE2 3.85Å; L256-F282 HydrophobicContact CB-CZ 4.49Å; L256-F282 HydrophobicContact CD1-CD2 4.15Å; L256-F282 HydrophobicContact CD1-CE2 4.12Å; Q257-F282 HydrophobicContact CG-CE2 4.34Å; Q257-F282 HydrophobicContact CG-CZ 3.83Å; W268-F282 HydrophobicContact CH2-CD1 4.09Å; W268-F282 HydrophobicContact CH2-CD2 4.29Å; W268-F282 AromaticContact CH2-CE1 3.69Å; W268-F282 HydrophobicContact CH2-CE1 3.69Å; W268-F282 AromaticContact CH2-CE2 3.93Å; W268-F282 HydrophobicContact CH2-CE2 3.93Å; W268-F282 HydrophobicContact CH2-CG 4.37Å; W268-F282 AromaticContact CH2-CZ 3.59Å; W268-F282 HydrophobicContact CH2-CZ 3.59Å; W268-F282 HydrophobicContact CZ2-CZ 4.46Å; W268-F282 AromaticContact CZ3-CD1 3.73Å; W268-F282 HydrophobicContact CZ3-CD1 3.73Å; W268-F282 AromaticContact CZ3-CE1 3.63Å; W268-F282 HydrophobicContact CZ3-CE1 3.63Å; W268-F282 HydrophobicContact CZ3-CG 4.21Å; W268-F282 HydrophobicContact CZ3-CZ 4.05Å; H278-F282 PolarHBondContact O-N 3.25Å; F279-F282 WeakPolarHBondContact O-CB 3.17Å; F279-F282 PolarHBondContact O-N 3.21Å; M280-F282 VanDerWaalsContact C-N 3.3Å; M280-F282 PolarHBondContact O-N 3.35Å; F282-Y284 VanDerWaalsContact C-N 3.29Å; F282-Y284 PolarHBondContact O-N 2.69Å; F282-L285 PolarHBondContact O-N 3.21Å; F282-A286 VanDerWaalsContact O-CB 3.29Å; F282-A286 WeakPolarHBondContact O-CB 3.1Å; F282-A286 PolarHBondContact O-N 2.65Å
283	K	93.9	Very high	91.3	Very high	73 Å²	73	59 Å²	59	32%	0.317	28%	0.278	S	S	.	.	H	α-helix	trans	-57.4	-40.9	176.5	-77.5	-179.4	173.6	173.3	0	112.3	E272 F279 M280 S287	E272-K283 IonicContact OE1-NZ 3.23Å; F279-K283 HydrophobicContact CD1-CD 4.41Å; F279-K283 HydrophobicContact CE1-CD 4.03Å; F279-K283 HydrophobicContact CZ-CD 4.36Å; F279-K283 PolarHBondContact O-N 3.08Å; M280-K283 PolarHBondContact O-N 2.97Å; M280-K283 HydrophobicContact SD-CD 3.98Å; K283-S287 PolarHBondContact O-N 3.11Å; K283-S287 VanDerWaalsContact O-N 3.1Å
284	Y	94.8	Very high	91.5	Very high	80 Å²	80	54.6 Å²	54.6	31%	0.314	27%	0.268	S	S	.	.	H	α-helix	trans	-68.1	-45.6	176.5	173	-107.2	0	0	0	112.9	R241 M280 K281 F282 A286 S287 V288 D338	R241-Y284 PolarHBondContact NE-OH 2.99Å; R241-Y284 PolarHBondContact NH2-OH 3.38Å; M280-Y284 WeakPolarHBondContact O-CB 3.37Å; M280-Y284 PolarHBondContact O-N 3.39Å; K281-Y284 PolarHBondContact O-N 2.94Å; F282-Y284 VanDerWaalsContact C-N 3.29Å; F282-Y284 PolarHBondContact O-N 2.69Å; Y284-A286 VanDerWaalsContact C-N 3.31Å; Y284-A286 PolarHBondContact O-N 3.48Å; Y284-S287 PolarHBondContact O-N 3.45Å; Y284-S287 PolarHBondContact O-OG 3.26Å; Y284-V288 HydrophobicContact CE1-CG2 4.19Å; Y284-V288 HydrophobicContact CE2-CG2 3.96Å; Y284-V288 WeakPolarHBondContact O-CG2 3.38Å; Y284-V288 PolarHBondContact O-N 3.04Å; Y284-V288 VanDerWaalsContact O-N 3.14Å; Y284-D338 PolarHBondContact OH-OD1 3.11Å
285	L	96	Very high	91.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.3	-38.5	177.4	-69.2	167.9	0	0	0	111.5	A237 Y238 R241 L249 I253 K281 F282 V288 V289	A237-L285 HydrophobicContact CB-CD1 3.9Å; Y238-L285 HydrophobicContact CD2-CD1 4.41Å; Y238-L285 HydrophobicContact CD2-CD2 4.36Å; R241-L285 HydrophobicContact CB-CD2 3.76Å; R241-L285 HydrophobicContact CG-CD2 4.35Å; L249-L285 HydrophobicContact CD1-CB 4.29Å; L249-L285 HydrophobicContact CD1-CD2 3.93Å; I253-L285 HydrophobicContact CD1-CB 3.72Å; I253-L285 HydrophobicContact CG1-CB 4.32Å; K281-L285 WeakPolarHBondContact O-CB 3.42Å; K281-L285 WeakPolarHBondContact O-CG 3.5Å; K281-L285 PolarHBondContact O-N 2.81Å; F282-L285 PolarHBondContact O-N 3.21Å; L285-V288 PolarHBondContact O-N 3.23Å; L285-V289 PolarHBondContact O-N 3.02Å
286	A	94.9	Very high	92	Very high	10 Å²	10	51.4 Å²	51.4	8%	0.083	26%	0.255	C	S	.	.	H	α-helix	trans	-61.6	-42	174.1	0	0	0	0	0	112.5	I253 F282 Y284 V288 V289 S290	I253-A286 HydrophobicContact CG2-CB 4.21Å; F282-A286 VanDerWaalsContact O-CB 3.29Å; F282-A286 WeakPolarHBondContact O-CB 3.1Å; F282-A286 PolarHBondContact O-N 2.65Å; Y284-A286 VanDerWaalsContact C-N 3.31Å; Y284-A286 PolarHBondContact O-N 3.48Å; A286-V288 VanDerWaalsContact C-N 3.35Å; A286-V288 PolarHBondContact O-N 2.98Å; A286-V289 CarbonylContact O-C 3.54Å; A286-V289 PolarHBondContact O-N 2.98Å; A286-S290 WeakPolarHBondContact O-CA 3.36Å; A286-S290 WeakPolarHBondContact O-CB 3.31Å; A286-S290 PolarHBondContact O-N 2.92Å
287	S	93.6	Very high	92.2	Very high	57 Å²	57	50.9 Å²	50.9	40%	0.399	25%	0.252	S	S	.	.	H	α-helix	trans	-68.7	-31.3	177.2	74.9	0	0	0	0	113.1	K283 Y284 V289	K283-S287 PolarHBondContact O-N 3.11Å; K283-S287 VanDerWaalsContact O-N 3.1Å; Y284-S287 PolarHBondContact O-N 3.45Å; Y284-S287 PolarHBondContact O-OG 3.26Å; S287-V289 VanDerWaalsContact C-N 3.35Å; S287-V289 PolarHBondContact O-N 3.29Å
288	V	92.4	Very high	92.4	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.012	23%	0.228	C	C	.	.	H	α-helix	trans	-65.2	-34.4	174.9	171	0	0	0	0	112.5	Y246 Y284 L285 A286	Y246-V288 HydrophobicContact CE1-CG1 4.27Å; Y284-V288 HydrophobicContact CE1-CG2 4.19Å; Y284-V288 HydrophobicContact CE2-CG2 3.96Å; Y284-V288 WeakPolarHBondContact O-CG2 3.38Å; Y284-V288 PolarHBondContact O-N 3.04Å; Y284-V288 VanDerWaalsContact O-N 3.14Å; L285-V288 PolarHBondContact O-N 3.23Å; A286-V288 VanDerWaalsContact C-N 3.35Å; A286-V288 PolarHBondContact O-N 2.98Å
289	V	92.3	Very high	92.6	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.006	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	12.5	180	-56.6	0	0	0	0	114.6	L249 K250 I253 L285 A286 S287	L249-V289 HydrophobicContact CD2-CG1 3.77Å; L249-V289 HydrophobicContact CG-CG1 3.84Å; K250-V289 HydrophobicContact CB-CB 4.25Å; K250-V289 HydrophobicContact CB-CG1 4.35Å; K250-V289 HydrophobicContact CB-CG2 4.42Å; K250-V289 HydrophobicContact CD-CB 4.14Å; K250-V289 WeakPolarHBondContact CE-O 3.41Å; K250-V289 HydrophobicContact CG-CB 4.17Å; K250-V289 HydrophobicContact CG-CG2 4.21Å; K250-V289 PolarHBondContact NZ-O 2.86Å; I253-V289 HydrophobicContact CB-CG2 3.97Å; I253-V289 HydrophobicContact CG1-CG2 4.19Å; I253-V289 HydrophobicContact CG2-CG2 3.77Å; L285-V289 PolarHBondContact O-N 3.02Å; A286-V289 CarbonylContact O-C 3.54Å; A286-V289 PolarHBondContact O-N 2.98Å; S287-V289 VanDerWaalsContact C-N 3.35Å; S287-V289 PolarHBondContact O-N 3.29Å
290	S	91	Very high	92.7	Very high	14 Å²	14	51.8 Å²	51.8	10%	0.098	25%	0.253	C	S	.	.			trans	-60.3	161.2	-177.8	-168.9	0	0	0	0	112.8	A286 D292 Q295	A286-S290 WeakPolarHBondContact O-CA 3.36Å; A286-S290 WeakPolarHBondContact O-CB 3.31Å; A286-S290 PolarHBondContact O-N 2.92Å; S290-D292 VanDerWaalsContact C-N 3.32Å; S290-D292 VanDerWaalsContact CB-OD2 3.26Å; S290-D292 WeakPolarHBondContact CB-OD2 2.89Å; S290-D292 PolarHBondContact OG-N 2.99Å; S290-D292 PolarHBondContact OG-OD2 3.46Å; S290-Q295 WeakPolarHBondContact O-CA 3.47Å; S290-Q295 WeakPolarHBondContact O-CG 3.15Å
291	F	89	Confident	92.7	Very high	83 Å²	83	49.5 Å²	49.5	36%	0.364	24%	0.24	S	C	.	.			trans	-81.2	-11.6	172.1	-68.2	-80.3	0	0	0	113.6	M254 N294 Q295	M254-F291 HydrophobicContact CE-CE2 3.99Å; M254-F291 HydrophobicContact SD-CE2 3.61Å; M254-F291 HydrophobicContact SD-CZ 4.01Å; F291-N294 PolarHBondContact O-N 3.02Å; F291-Q295 HydrophobicContact CD1-CG 4Å; F291-Q295 PolarHBondContact O-N 2.95Å; F291-Q295 VanDerWaalsContact O-N 3.13Å
292	D	86.8	Confident	92.7	Very high	92 Å²	92	48 Å²	48	49%	0.492	23%	0.234	S	C	.	.	H	α-helix	trans	-48.5	136	-178.8	-61.2	-49.6	0	0	0	113.1	S290 N294 Q295 E296	S290-D292 VanDerWaalsContact C-N 3.32Å; S290-D292 VanDerWaalsContact CB-OD2 3.26Å; S290-D292 WeakPolarHBondContact CB-OD2 2.89Å; S290-D292 PolarHBondContact OG-N 2.99Å; S290-D292 PolarHBondContact OG-OD2 3.46Å; D292-N294 VanDerWaalsContact C-N 3.28Å; D292-N294 PolarHBondContact O-N 3.3Å; D292-Q295 PolarHBondContact O-N 2.95Å; D292-E296 PolarHBondContact O-N 3.2Å
293	N	89.5	Confident	92.6	Very high	119 Å²	119	50.3 Å²	50.3	64%	0.636	25%	0.247	S	C	*	.	H	α-helix	trans	46.3	47.4	-178.4	-163.5	20.3	0	0	0	113.4	E296	N293-E296 HydrophobicContact CB-CB 3.99Å; N293-E296 VanDerWaalsContact ND2-CD 3.26Å; N293-E296 PolarHBondContact ND2-OE2 2.93Å; N293-E296 PolarHBondContact O-N 3.33Å
294	N	90.8	Very high	92.5	Very high	99 Å²	99	49.4 Å²	49.4	53%	0.529	24%	0.243	S	C	.	.	H	α-helix	trans	56.2	49.1	-174.8	-175.3	12.9	0	0	0	112.6	F291 D292 E296 R299	F291-N294 PolarHBondContact O-N 3.02Å; D292-N294 VanDerWaalsContact C-N 3.28Å; D292-N294 PolarHBondContact O-N 3.3Å; N294-E296 VanDerWaalsContact C-N 3.31Å; N294-E296 PolarHBondContact O-N 3.2Å; N294-R299 PolarHBondContact ND2-NH2 3.42Å; N294-R299 VanDerWaalsContact O-CD 3.26Å; N294-R299 WeakPolarHBondContact O-CD 3.44Å; N294-R299 PolarHBondContact O-NE 2.87Å; N294-R299 PolarHBondContact OD1-NE 2.71Å; N294-R299 PolarHBondContact OD1-NH2 3.44Å
295	Q	91.3	Very high	92.4	Very high	12 Å²	12	45.6 Å²	45.6	6%	0.056	23%	0.228	C	C	.	.	H	α-helix	trans	59.4	35.9	179.2	-55.7	178.3	81.8	0	0	113.6	S290 F291 D292 Q297 L298 R299	S290-Q295 WeakPolarHBondContact O-CA 3.47Å; S290-Q295 WeakPolarHBondContact O-CG 3.15Å; F291-Q295 HydrophobicContact CD1-CG 4Å; F291-Q295 PolarHBondContact O-N 2.95Å; F291-Q295 VanDerWaalsContact O-N 3.13Å; D292-Q295 PolarHBondContact O-N 2.95Å; Q295-Q297 VanDerWaalsContact C-N 3.3Å; Q295-Q297 PolarHBondContact O-N 2.7Å; Q295-L298 HydrophobicContact CB-CB 4.44Å; Q295-L298 PolarHBondContact O-N 2.84Å; Q295-R299 WeakPolarHBondContact O-CG 3.39Å; Q295-R299 PolarHBondContact O-N 2.86Å
296	E	92	Very high	92.1	Very high	66 Å²	66	45.7 Å²	45.7	31%	0.308	23%	0.229	S	C	.	.	H	α-helix	trans	-53	-43.2	-173.4	-177.4	-177.6	-165.4	0	0	113.3	D292 N293 N294 L298 R299 K300	D292-E296 PolarHBondContact O-N 3.2Å; N293-E296 HydrophobicContact CB-CB 3.99Å; N293-E296 VanDerWaalsContact ND2-CD 3.26Å; N293-E296 PolarHBondContact ND2-OE2 2.93Å; N293-E296 PolarHBondContact O-N 3.33Å; N294-E296 VanDerWaalsContact C-N 3.31Å; N294-E296 PolarHBondContact O-N 3.2Å; E296-L298 VanDerWaalsContact C-N 3.29Å; E296-L298 PolarHBondContact O-N 3Å; E296-R299 PolarHBondContact O-N 3.15Å; E296-K300 VanDerWaalsContact CD-NZ 3.29Å; E296-K300 HydrophobicContact CG-CD 4.02Å; E296-K300 HydrophobicContact CG-CG 4.31Å; E296-K300 WeakPolarHBondContact O-CB 3.44Å; E296-K300 WeakPolarHBondContact O-CG 3.24Å; E296-K300 PolarHBondContact O-N 3.03Å; E296-K300 WeakPolarHBondContact OE1-CE 3.27Å; E296-K300 IonicContact OE1-NZ 2.69Å; E296-K300 PolarHBondContact OE1-NZ 3.13Å
297	Q	91.4	Very high	91.9	Very high	87 Å²	87	49 Å²	49	41%	0.407	25%	0.245	S	C	.	.	H	α-helix	trans	-62.6	-33.7	-179.7	-72.5	-66.9	-16.4	0	0	113.1	Q295 R301	Q295-Q297 VanDerWaalsContact C-N 3.3Å; Q295-Q297 PolarHBondContact O-N 2.7Å; Q297-R301 WeakPolarHBondContact O-CD 3.31Å; Q297-R301 WeakPolarHBondContact O-CG 3.47Å; Q297-R301 PolarHBondContact O-NH1 3.35Å
298	L	93.4	Very high	91.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-80.3	-45.2	175.6	177.8	56.7	0	0	0	110.7	Y246 Q295 E296 K300 R301 L302 V366	Y246-L298 HydrophobicContact CD1-CD1 3.58Å; Y246-L298 HydrophobicContact CD2-CD1 4.35Å; Y246-L298 HydrophobicContact CE1-CD1 4.3Å; Y246-L298 HydrophobicContact CG-CD1 3.61Å; Q295-L298 HydrophobicContact CB-CB 4.44Å; Q295-L298 PolarHBondContact O-N 2.84Å; E296-L298 VanDerWaalsContact C-N 3.29Å; E296-L298 PolarHBondContact O-N 3Å; L298-K300 PolarHBondContact O-N 2.97Å; L298-R301 PolarHBondContact O-N 2.85Å; L298-L302 HydrophobicContact CD1-CD1 4.07Å; L298-L302 HydrophobicContact CD1-CG 4.06Å; L298-L302 HydrophobicContact CG-CD1 4.09Å; L298-L302 HydrophobicContact CG-CG 4.46Å; L298-L302 WeakPolarHBondContact O-CG 3.45Å; L298-L302 PolarHBondContact O-N 3.4Å; L298-V366 HydrophobicContact CD2-CG2 3.73Å; L298-V366 HydrophobicContact CG-CG2 4.39Å
299	R	95.9	Very high	91.6	Very high	43 Å²	43	49.4 Å²	49.4	16%	0.162	24%	0.239	C	C	.	.	H	α-helix	trans	-57.1	-50.7	177.9	-70.7	-178.5	-175.8	-90.8	6.8	111.9	N294 Q295 E296 R301 L302 D303 V366 D370	N294-R299 PolarHBondContact ND2-NH2 3.42Å; N294-R299 VanDerWaalsContact O-CD 3.26Å; N294-R299 WeakPolarHBondContact O-CD 3.44Å; N294-R299 PolarHBondContact O-NE 2.87Å; N294-R299 PolarHBondContact OD1-NE 2.71Å; N294-R299 PolarHBondContact OD1-NH2 3.44Å; Q295-R299 WeakPolarHBondContact O-CG 3.39Å; Q295-R299 PolarHBondContact O-N 2.86Å; E296-R299 PolarHBondContact O-N 3.15Å; R299-R301 PolarHBondContact O-N 3.23Å; R299-L302 PolarHBondContact O-N 3.28Å; R299-L302 VanDerWaalsContact O-N 3.15Å; R299-D303 WeakPolarHBondContact O-CB 3.33Å; R299-D303 PolarHBondContact O-N 3.35Å; R299-V366 HydrophobicContact CG-CG1 3.92Å; R299-D370 IonicContact CZ-OD1 2.74Å; R299-D370 IonicContact CZ-OD2 3.59Å; R299-D370 IonicContact NH1-OD1 3.4Å; R299-D370 PolarHBondContact NH1-OD1 3.41Å; R299-D370 IonicContact NH1-OD2 3.51Å; R299-D370 PolarHBondContact NH1-OD2 2.88Å; R299-D370 IonicContact NH2-OD1 3.39Å; R299-D370 PolarHBondContact NH2-OD1 3.05Å; R299-D370 IonicContact NH2-OD2 2.7Å
300	K	94	Very high	91.4	Very high	118 Å²	118	54.1 Å²	54.1	51%	0.513	26%	0.258	S	S	.	.	H	α-helix	trans	-53.1	-41.1	176.4	-77.6	177.3	179.1	168.3	0	112.7	E296 L298 K304	E296-K300 VanDerWaalsContact CD-NZ 3.29Å; E296-K300 HydrophobicContact CG-CD 4.02Å; E296-K300 HydrophobicContact CG-CG 4.31Å; E296-K300 WeakPolarHBondContact O-CB 3.44Å; E296-K300 WeakPolarHBondContact O-CG 3.24Å; E296-K300 PolarHBondContact O-N 3.03Å; E296-K300 WeakPolarHBondContact OE1-CE 3.27Å; E296-K300 IonicContact OE1-NZ 2.69Å; E296-K300 PolarHBondContact OE1-NZ 3.13Å; L298-K300 PolarHBondContact O-N 2.97Å; K300-K304 WeakPolarHBondContact O-CB 3.45Å; K300-K304 PolarHBondContact O-N 3.32Å
301	R	93.3	Very high	91	Very high	34 Å²	34	57.3 Å²	57.3	13%	0.128	27%	0.268	C	S	.	.	H	α-helix	trans	-69.3	-48.3	178.6	-72.8	174.8	174.6	87.1	1.6	111.4	Q297 L298 R299 K304 C305 D338	Q297-R301 WeakPolarHBondContact O-CD 3.31Å; Q297-R301 WeakPolarHBondContact O-CG 3.47Å; Q297-R301 PolarHBondContact O-NH1 3.35Å; L298-R301 PolarHBondContact O-N 2.85Å; R299-R301 PolarHBondContact O-N 3.23Å; R301-K304 WeakPolarHBondContact O-CB 3.26Å; R301-K304 PolarHBondContact O-N 3.06Å; R301-C305 PolarHBondContact O-N 2.76Å; R301-C305 VanDerWaalsContact O-N 3.17Å; R301-C305 PolarHBondContact O-SG 2.96Å; R301-D338 IonicContact CZ-OD1 2.69Å; R301-D338 IonicContact CZ-OD2 3.54Å; R301-D338 IonicContact NE-OD1 2.63Å; R301-D338 IonicContact NE-OD2 3.49Å; R301-D338 PolarHBondContact NE-OD2 2.94Å; R301-D338 VanDerWaalsContact NH2-CG 3.32Å; R301-D338 IonicContact NH2-OD1 2.61Å; R301-D338 PolarHBondContact NH2-OD1 2.99Å; R301-D338 IonicContact NH2-OD2 3.35Å; R301-D338 PolarHBondContact NH2-OD2 3.05Å
302	L	95.1	Very high	90.8	Very high	3 Å²	3	56.8 Å²	56.8	2%	0.016	26%	0.264	C	S	.	.	H	α-helix	trans	-62.5	-43.5	177.3	-65.5	179.8	0	0	0	112.2	Y246 L298 R299 K304 C305 A306 V360 P362 F367 L561	Y246-L302 HydrophobicContact CD2-CD2 3.78Å; Y246-L302 HydrophobicContact CE2-CD2 4.18Å; L298-L302 HydrophobicContact CD1-CD1 4.07Å; L298-L302 HydrophobicContact CD1-CG 4.06Å; L298-L302 HydrophobicContact CG-CD1 4.09Å; L298-L302 HydrophobicContact CG-CG 4.46Å; L298-L302 WeakPolarHBondContact O-CG 3.45Å; L298-L302 PolarHBondContact O-N 3.4Å; R299-L302 PolarHBondContact O-N 3.28Å; R299-L302 VanDerWaalsContact O-N 3.15Å; L302-K304 VanDerWaalsContact C-N 3.34Å; L302-K304 PolarHBondContact O-N 2.84Å; L302-C305 WeakPolarHBondContact O-CB 3.5Å; L302-C305 PolarHBondContact O-N 3Å; L302-C305 VanDerWaalsContact O-N 3.09Å; L302-A306 PolarHBondContact O-N 3.42Å; L302-V360 HydrophobicContact CD2-CG1 3.94Å; L302-P362 HydrophobicContact CD1-CB 3.78Å; L302-P362 HydrophobicContact CD2-CB 3.88Å; L302-P362 HydrophobicContact CG-CB 4.49Å; L302-F367 HydrophobicContact CD1-CE2 4.3Å; L302-F367 HydrophobicContact CD1-CZ 4.17Å; L302-L561 HydrophobicContact CB-CD1 4.33Å; L302-L561 HydrophobicContact CD2-CD1 4.34Å
303	D	92.9	Very high	90.7	Very high	63 Å²	63	55 Å²	55	34%	0.337	25%	0.254	S	S	.	.	H	α-helix	trans	-62.4	-38.7	175.4	-76.7	-38.9	0	0	0	111.6	R299 C305 A306 N307 N557	R299-D303 WeakPolarHBondContact O-CB 3.33Å; R299-D303 PolarHBondContact O-N 3.35Å; D303-C305 VanDerWaalsContact C-N 3.27Å; D303-C305 PolarHBondContact O-N 3Å; D303-A306 PolarHBondContact O-N 3.48Å; D303-N307 VanDerWaalsContact O-CB 3.3Å; D303-N307 WeakPolarHBondContact O-CB 3.45Å; D303-N307 PolarHBondContact O-N 3.14Å; D303-N307 PolarHBondContact O-ND2 2.93Å; D303-N557 PolarHBondContact OD1-ND2 3.28Å; D303-N557 VanDerWaalsContact OD1-ND2 3.11Å
304	K	91.6	Very high	90.2	Very high	54 Å²	54	54 Å²	54	24%	0.235	24%	0.244	C	C	.	.	H	α-helix	trans	-59.9	-38.8	173.1	-168.2	177.4	-174.9	-176	0	111.6	K300 R301 L302 K308 F334 E335 D336	K300-K304 WeakPolarHBondContact O-CB 3.45Å; K300-K304 PolarHBondContact O-N 3.32Å; R301-K304 WeakPolarHBondContact O-CB 3.26Å; R301-K304 PolarHBondContact O-N 3.06Å; L302-K304 VanDerWaalsContact C-N 3.34Å; L302-K304 PolarHBondContact O-N 2.84Å; K304-K308 VanDerWaalsContact O-CB 3.31Å; K304-K308 WeakPolarHBondContact O-CB 3.41Å; K304-K308 PolarHBondContact O-N 3.24Å; K304-K308 VanDerWaalsContact O-N 3.07Å; K304-F334 WeakPolarHBondContact CE-O 3.42Å; K304-F334 PolarHBondContact NZ-O 3.49Å; K304-E335 PolarHBondContact NZ-O 2.87Å; K304-D336 WeakPolarHBondContact CE-OD1 3.29Å; K304-D336 IonicContact NZ-OD1 3.94Å; K304-D336 PolarHBondContact NZ-OD1 2.88Å
305	C	92.4	Very high	89.6	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.007	25%	0.25	C	C	.	.	H	α-helix	trans	-69.2	-45.8	176.9	-54.1	0	0	0	0	112.7	R244 R301 L302 D303 K308 M309 V360 L561 N564	R244-C305 PolarHBondContact NH2-SG 3.16Å; R301-C305 PolarHBondContact O-N 2.76Å; R301-C305 VanDerWaalsContact O-N 3.17Å; R301-C305 PolarHBondContact O-SG 2.96Å; L302-C305 WeakPolarHBondContact O-CB 3.5Å; L302-C305 PolarHBondContact O-N 3Å; L302-C305 VanDerWaalsContact O-N 3.09Å; D303-C305 VanDerWaalsContact C-N 3.27Å; D303-C305 PolarHBondContact O-N 3Å; C305-K308 PolarHBondContact O-N 3.02Å; C305-M309 PolarHBondContact O-N 3.02Å; C305-V360 HydrophobicContact CB-CG1 4.46Å; C305-V360 HydrophobicContact CB-CG2 3.9Å; C305-L561 HydrophobicContact CB-CD2 3.71Å; C305-N564 PolarHBondContact O-ND2 3.32Å
306	A	91.4	Very high	88.9	Confident	2 Å²	2	59 Å²	59	2%	0.017	27%	0.271	C	S	.	.	H	α-helix	trans	-63.9	-44.5	178.4	0	0	0	0	0	111.4	L302 D303 M309 Y310 L560 L561	L302-A306 PolarHBondContact O-N 3.42Å; D303-A306 PolarHBondContact O-N 3.48Å; A306-M309 PolarHBondContact O-N 3.04Å; A306-Y310 WeakPolarHBondContact O-CB 3.12Å; A306-Y310 PolarHBondContact O-N 3.3Å; A306-L560 HydrophobicContact CB-CB 4.01Å; A306-L560 HydrophobicContact CB-CD1 4.3Å; A306-L561 HydrophobicContact CB-CD2 4.47Å; A306-L561 HydrophobicContact CB-CG 4.47Å
307	N	90	Very high	87.5	Confident	80 Å²	80	59 Å²	59	43%	0.428	27%	0.273	S	S	.	.	H	α-helix	trans	-63.7	-42	176.3	-77.2	-65	0	0	0	112.4	D303 M309 Y310 W311	D303-N307 VanDerWaalsContact O-CB 3.3Å; D303-N307 WeakPolarHBondContact O-CB 3.45Å; D303-N307 PolarHBondContact O-N 3.14Å; D303-N307 PolarHBondContact O-ND2 2.93Å; N307-M309 VanDerWaalsContact C-N 3.32Å; N307-M309 PolarHBondContact O-N 3.38Å; N307-Y310 PolarHBondContact O-N 3.48Å; N307-W311 PolarHBondContact O-N 3.39Å
308	K	88.6	Confident	85.4	Confident	65 Å²	65	60.3 Å²	60.3	28%	0.283	29%	0.288	S	S	.	.	H	α-helix	trans	-60.6	-42	176.4	-163.4	179.7	-166.5	-173.8	0	111.4	K304 C305 Y312 Y356	K304-K308 VanDerWaalsContact O-CB 3.31Å; K304-K308 WeakPolarHBondContact O-CB 3.41Å; K304-K308 PolarHBondContact O-N 3.24Å; K304-K308 VanDerWaalsContact O-N 3.07Å; C305-K308 PolarHBondContact O-N 3.02Å; K308-Y312 WeakPolarHBondContact O-CB 3.42Å; K308-Y312 PolarHBondContact O-N 3.2Å; K308-Y356 WeakPolarHBondContact CD-O 3.35Å; K308-Y356 WeakPolarHBondContact CE-O 3.31Å; K308-Y356 PolarHBondContact NZ-O 2.94Å
309	M	90.5	Very high	83.2	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-69.6	-39.3	175.4	-176.5	53.5	62.1	0	0	112.9	C305 A306 N307 W311 Y312 L313 L357 L560 Q563 N564 F567	C305-M309 PolarHBondContact O-N 3.02Å; A306-M309 PolarHBondContact O-N 3.04Å; N307-M309 VanDerWaalsContact C-N 3.32Å; N307-M309 PolarHBondContact O-N 3.38Å; M309-W311 VanDerWaalsContact C-N 3.32Å; M309-W311 PolarHBondContact O-N 3.34Å; M309-Y312 HydrophobicContact CE-CD1 4.37Å; M309-Y312 PolarHBondContact O-N 3.18Å; M309-Y312 HydrophobicContact SD-CD1 3.74Å; M309-Y312 HydrophobicContact SD-CG 4.48Å; M309-L313 HydrophobicContact CG-CD1 3.94Å; M309-L313 HydrophobicContact CG-CG 4.25Å; M309-L313 WeakPolarHBondContact O-CG 3.47Å; M309-L313 PolarHBondContact O-N 3.48Å; M309-L313 HydrophobicContact SD-CD1 4.05Å; M309-L313 HydrophobicContact SD-CD2 4.2Å; M309-L313 HydrophobicContact SD-CG 3.79Å; M309-L357 HydrophobicContact CE-CD2 3.98Å; M309-L560 HydrophobicContact CB-CD2 4.4Å; M309-L560 HydrophobicContact CG-CD2 4.1Å; M309-L560 WeakPolarHBondContact CG-O 3.24Å; M309-Q563 WeakPolarHBondContact CE-O 3.01Å; M309-Q563 HydrophobicContact CG-CB 3.79Å; M309-Q563 HydrophobicContact SD-CB 3.99Å; M309-N564 VanDerWaalsContact CB-ND2 3.31Å; M309-N564 WeakPolarHBondContact CB-ND2 3.41Å; M309-F567 HydrophobicContact CE-CD2 4.03Å; M309-F567 HydrophobicContact CE-CE2 3.58Å; M309-F567 HydrophobicContact CE-CZ 4.44Å
310	Y	87.7	Confident	80.6	Confident	100 Å²	100	69.4 Å²	69.4	39%	0.392	35%	0.347	S	S	.	.	H	α-helix	trans	-56.9	-47	174.5	171.2	-93.9	0	0	0	111.2	A306 N307 K314	A306-Y310 WeakPolarHBondContact O-CB 3.12Å; A306-Y310 PolarHBondContact O-N 3.3Å; N307-Y310 PolarHBondContact O-N 3.48Å; Y310-K314 HydrophobicContact CE1-CD 3.77Å; Y310-K314 WeakPolarHBondContact O-CB 3.12Å; Y310-K314 PolarHBondContact O-N 3.41Å; Y310-K314 PolarHBondContact OH-NZ 2.94Å
311	W	84.2	Confident	77.9	Confident	81 Å²	81	71.7 Å²	71.7	31%	0.307	36%	0.364	S	S	.	.	H	α-helix	trans	-67.7	-39.1	176.7	-73.8	111.7	0	0	0	112.7	N307 M309 K314 L315 P328	N307-W311 PolarHBondContact O-N 3.39Å; M309-W311 VanDerWaalsContact C-N 3.32Å; M309-W311 PolarHBondContact O-N 3.34Å; W311-K314 HydrophobicContact CE3-CD 4.08Å; W311-K314 HydrophobicContact CZ3-CD 3.9Å; W311-K314 PolarHBondContact O-N 2.9Å; W311-L315 WeakPolarHBondContact O-CB 3.11Å; W311-L315 WeakPolarHBondContact O-CD1 3.41Å; W311-L315 WeakPolarHBondContact O-CG 3.4Å; W311-L315 PolarHBondContact O-N 3.35Å; W311-P328 HydrophobicContact CH2-CG 3.71Å; W311-P328 HydrophobicContact CZ2-CG 3.49Å; W311-P328 VanDerWaalsContact CZ2-CG 3.49Å; W311-P328 HydrophobicContact CZ3-CG 4.42Å
312	Y	83.4	Confident	75.2	Confident	72 Å²	72	74.2 Å²	74.2	28%	0.282	39%	0.386	S	S	.	.	H	α-helix	trans	-58.4	-50.5	173.5	176.9	-100.1	0	0	0	112.3	K308 M309 K314 L315 N316 L357 F567	K308-Y312 WeakPolarHBondContact O-CB 3.42Å; K308-Y312 PolarHBondContact O-N 3.2Å; M309-Y312 HydrophobicContact CE-CD1 4.37Å; M309-Y312 PolarHBondContact O-N 3.18Å; M309-Y312 HydrophobicContact SD-CD1 3.74Å; M309-Y312 HydrophobicContact SD-CG 4.48Å; Y312-K314 VanDerWaalsContact C-N 3.33Å; Y312-K314 PolarHBondContact O-N 3.27Å; Y312-L315 PolarHBondContact O-N 3.45Å; Y312-N316 VanDerWaalsContact CD2-ND2 3.3Å; Y312-N316 WeakPolarHBondContact CD2-ND2 3Å; Y312-N316 WeakPolarHBondContact CE1-ND2 3.45Å; Y312-N316 WeakPolarHBondContact CE2-ND2 3.03Å; Y312-N316 WeakPolarHBondContact O-CB 3Å; Y312-N316 PolarHBondContact O-N 3.38Å; Y312-N316 VanDerWaalsContact O-N 3.08Å; Y312-N316 PolarHBondContact O-ND2 3.13Å; Y312-N316 VanDerWaalsContact O-ND2 3.12Å; Y312-L357 HydrophobicContact CD1-CD2 4.15Å; Y312-L357 HydrophobicContact CD2-CD1 3.98Å; Y312-L357 HydrophobicContact CD2-CD2 3.81Å; Y312-L357 HydrophobicContact CD2-CG 4.42Å; Y312-L357 HydrophobicContact CE1-CD1 4.26Å; Y312-L357 HydrophobicContact CE1-CD2 4.4Å; Y312-L357 HydrophobicContact CE2-CD1 3.39Å; Y312-L357 HydrophobicContact CE2-CD2 4.08Å; Y312-L357 HydrophobicContact CE2-CG 4.3Å; Y312-L357 HydrophobicContact CG-CD2 3.83Å; Y312-F567 AromaticContact CE1-CZ 3.93Å; Y312-F567 HydrophobicContact CE1-CZ 3.93Å
313	L	84.8	Confident	72.3	Confident	56 Å²	56	76 Å²	76	29%	0.293	41%	0.405	S	S	.	.	H	α-helix	trans	-64.2	-37.2	177.8	-65.8	171.9	0	0	0	112.1	M309 N317 L560 Q563	M309-L313 HydrophobicContact CG-CD1 3.94Å; M309-L313 HydrophobicContact CG-CG 4.25Å; M309-L313 WeakPolarHBondContact O-CG 3.47Å; M309-L313 PolarHBondContact O-N 3.48Å; M309-L313 HydrophobicContact SD-CD1 4.05Å; M309-L313 HydrophobicContact SD-CD2 4.2Å; M309-L313 HydrophobicContact SD-CG 3.79Å; L313-N317 WeakPolarHBondContact O-CB 3.49Å; L313-N317 PolarHBondContact O-N 3.23Å; L313-N317 VanDerWaalsContact O-N 3.16Å; L313-L560 HydrophobicContact CD1-CD2 3.85Å; L313-Q563 HydrophobicContact CD1-CB 4.45Å; L313-Q563 HydrophobicContact CD1-CG 4.24Å
314	K	79.9	Confident	69.3	Low	98 Å²	98	81 Å²	81	43%	0.426	43%	0.432	S	S	.	.	H	α-helix	trans	-70.9	-30.1	177.9	-172.8	172	-175.5	176.2	0	113.4	Y310 W311 Y312	Y310-K314 HydrophobicContact CE1-CD 3.77Å; Y310-K314 WeakPolarHBondContact O-CB 3.12Å; Y310-K314 PolarHBondContact O-N 3.41Å; Y310-K314 PolarHBondContact OH-NZ 2.94Å; W311-K314 HydrophobicContact CE3-CD 4.08Å; W311-K314 HydrophobicContact CZ3-CD 3.9Å; W311-K314 PolarHBondContact O-N 2.9Å; Y312-K314 VanDerWaalsContact C-N 3.33Å; Y312-K314 PolarHBondContact O-N 3.27Å
315	L	78.8	Confident	66.7	Low	122 Å²	122	84 Å²	84	64%	0.639	45%	0.449	S	S	*	.	H	α-helix	trans	-78.9	-30.9	175.7	-72.7	167.4	0	0	0	112.5	W311 Y312	W311-L315 WeakPolarHBondContact O-CB 3.11Å; W311-L315 WeakPolarHBondContact O-CD1 3.41Å; W311-L315 WeakPolarHBondContact O-CG 3.4Å; W311-L315 PolarHBondContact O-N 3.35Å; Y312-L315 PolarHBondContact O-N 3.45Å
316	N	75.7	Confident	64.1	Low	94 Å²	94	89.1 Å²	89.1	50%	0.503	49%	0.485	S	S	.	.	H	α-helix	trans	-94.1	-5.3	-177.1	-66	-33.6	0	0	0	114.7	Y312 P318	Y312-N316 VanDerWaalsContact CD2-ND2 3.3Å; Y312-N316 WeakPolarHBondContact CD2-ND2 3Å; Y312-N316 WeakPolarHBondContact CE1-ND2 3.45Å; Y312-N316 WeakPolarHBondContact CE2-ND2 3.03Å; Y312-N316 WeakPolarHBondContact O-CB 3Å; Y312-N316 PolarHBondContact O-N 3.38Å; Y312-N316 VanDerWaalsContact O-N 3.08Å; Y312-N316 PolarHBondContact O-ND2 3.13Å; Y312-N316 VanDerWaalsContact O-ND2 3.12Å; N316-P318 WeakPolarHBondContact O-CD 3.42Å
317	N	61.7	Low	61.6	Low	66 Å²	66	100.3 Å²	100.3	35%	0.353	53%	0.527	S	S	.	.			trans	-88.6	117.4	176.9	-172.6	-24.9	0	0	0	110.5	L313 N319	L313-N317 WeakPolarHBondContact O-CB 3.49Å; L313-N317 PolarHBondContact O-N 3.23Å; L313-N317 VanDerWaalsContact O-N 3.16Å; N317-N319 PolarHBondContact O-N 3.34Å; N317-N319 VanDerWaalsContact O-N 3.1Å; N317-N319 PolarHBondContact OD1-N 3.41Å
318	P	49.2	Very low	59	Low	113 Å²	113	99.8 Å²	99.8	73%	0.734	53%	0.528	S	S	*	.	S	Bend	trans	-73	1.3	-173.9	29.4	-36.1	0	0	0	115.4	N316 P320	N316-P318 WeakPolarHBondContact O-CD 3.42Å; P318-P320 VanDerWaalsContact O-CD 3.28Å; P318-P320 WeakPolarHBondContact O-CD 3.31Å
319	N	47.1	Very low	56.3	Low	112 Å²	112	99.2 Å²	99.2	60%	0.599	54%	0.54	S	S	*	.			trans	-108.2	97.2	-178.8	-79.1	-48.1	0	0	0	113.3	N317 L321	N317-N319 PolarHBondContact O-N 3.34Å; N317-N319 VanDerWaalsContact O-N 3.1Å; N317-N319 PolarHBondContact OD1-N 3.41Å; N319-L321 PolarHBondContact O-N 2.91Å
320	P	40	Very low	53.6	Low	122 Å²	122	104.2 Å²	104.2	79%	0.792	57%	0.567	S	S	*	*			trans	-79.6	61.4	177.6	34.4	-37.1	0	0	0	112.6	P318 C322	P318-P320 VanDerWaalsContact O-CD 3.28Å; P318-P320 WeakPolarHBondContact O-CD 3.31Å; P320-C322 PolarHBondContact O-N 2.89Å
321	L	38.6	Very low	51.4	Low	167 Å²	167	104.7 Å²	104.7	87%	0.874	58%	0.575	S	S	*	*			trans	-84	16.8	179.7	-74.5	173.6	0	0	0	114.7	N319	N319-L321 PolarHBondContact O-N 2.91Å
322	C	35.7	Very low	49.3	Very low	87 Å²	87	104.1 Å²	104.1	59%	0.588	58%	0.584	S	S	*	*	S	Bend	trans	-138.8	107.7	172.9	-173.2	0	0	0	0	109	P320	P320-C322 PolarHBondContact O-N 2.89Å
323	G	34.1	Very low	47.2	Very low	40 Å²	40	107.9 Å²	107.9	41%	0.412	60%	0.603	S	S	.	*			trans	-79.1	155	-170.6	0	0	0	0	0	114.8	I325	G323-I325 PolarHBondContact O-N 3.38Å
324	D	29.6	Very low	45	Very low	168 Å²	168	110.1 Å²	110.1	90%	0.898	61%	0.611	S	S	*	*			trans	47	64.5	147.1	-55.7	-17	0	0	0	118.5
325	I	37.7	Very low	43	Very low	118 Å²	118	111.4 Å²	111.4	61%	0.605	62%	0.619	S	S	*	*			trans	-126.3	134.3	142.1	-51.3	179.6	0	0	0	108	G323 P445	G323-I325 PolarHBondContact O-N 3.38Å; I325-P445 HydrophobicContact CD1-CG 4.04Å
326	S	37.9	Very low	41.3	Very low	107 Å²	107	108.3 Å²	108.3	75%	0.748	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-46.6	143.7	-171.2	-51.6	0	0	0	0	114.8
327	R	37.7	Very low	39.6	Very low	238 Å²	238	109.1 Å²	109.1	90%	0.898	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-53	129.3	162	-66.1	-179.2	178.8	-173.7	-1	109	G329	R327-G329 PolarHBondContact O-N 2.94Å
328	P	35.5	Very low	38.7	Very low	69 Å²	69	108 Å²	108	45%	0.448	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-59.6	130	158	-16.8	30.5	0	0	0	108.2	W311	W311-P328 HydrophobicContact CH2-CG 3.71Å; W311-P328 HydrophobicContact CZ2-CG 3.49Å; W311-P328 VanDerWaalsContact CZ2-CG 3.49Å; W311-P328 HydrophobicContact CZ3-CG 4.42Å
329	G	33.4	Very low	38.5	Very low	53 Å²	53	104.1 Å²	104.1	55%	0.546	59%	0.587	S	S	.	*	S	Bend	trans	-67.3	152.5	165.1	0	0	0	0	0	110.1	R327	R327-G329 PolarHBondContact O-N 2.94Å
330	D	32	Very low	37.9	Very low	105 Å²	105	105.1 Å²	105.1	56%	0.561	59%	0.588	S	S	*	*			trans	51.6	86.3	164.9	-62.9	-13.1	0	0	0	116.6	S332 Q333	D330-S332 WeakPolarHBondContact CB-OG 3.49Å; D330-S332 PolarHBondContact O-N 2.91Å; D330-S332 VanDerWaalsContact O-N 3.09Å; D330-Q333 HydrophobicContact CB-CG 3.99Å; D330-Q333 WeakPolarHBondContact O-CB 3.39Å; D330-Q333 PolarHBondContact O-N 3.42Å
331	I	41.9	Very low	37.7	Very low	110 Å²	110	107.7 Å²	107.7	56%	0.564	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-57.6	-20.2	165.9	-65.1	173.9	0	0	0	111.7	Q333 F334	I331-Q333 PolarHBondContact O-N 3.03Å; I331-F334 WeakPolarHBondContact O-CB 3.46Å; I331-F334 PolarHBondContact O-N 3.43Å
332	S	40.1	Very low	37.6	Very low	70 Å²	70	102.3 Å²	102.3	49%	0.49	56%	0.56	S	S	.	*	G	3₁₀ helix	trans	-60.9	-20.6	169.4	41.4	0	0	0	0	114.1	D330 F334 E335	D330-S332 WeakPolarHBondContact CB-OG 3.49Å; D330-S332 PolarHBondContact O-N 2.91Å; D330-S332 VanDerWaalsContact O-N 3.09Å; S332-F334 PolarHBondContact O-N 3.4Å; S332-F334 VanDerWaalsContact O-N 3.11Å; S332-E335 PolarHBondContact O-N 2.98Å; S332-E335 VanDerWaalsContact O-N 3.13Å
333	Q	39.5	Very low	37.4	Very low	150 Å²	150	104.9 Å²	104.9	70%	0.701	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-68.2	-5	170.1	-60.9	-174	24.5	0	0	113.1	D330 I331	D330-Q333 HydrophobicContact CB-CG 3.99Å; D330-Q333 WeakPolarHBondContact O-CB 3.39Å; D330-Q333 PolarHBondContact O-N 3.42Å; I331-Q333 PolarHBondContact O-N 3.03Å
334	F	39.1	Very low	37.4	Very low	103 Å²	103	113.6 Å²	113.6	45%	0.452	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-105.4	18.1	172	-61.6	-86.6	0	0	0	113.7	K304 I331 S332	K304-F334 WeakPolarHBondContact CE-O 3.42Å; K304-F334 PolarHBondContact NZ-O 3.49Å; I331-F334 WeakPolarHBondContact O-CB 3.46Å; I331-F334 PolarHBondContact O-N 3.43Å; S332-F334 PolarHBondContact O-N 3.4Å; S332-F334 VanDerWaalsContact O-N 3.11Å
335	E	37.6	Very low	37.5	Very low	126 Å²	126	110.4 Å²	110.4	59%	0.589	56%	0.564	S	S	*	*			trans	-55.6	152.9	166.6	-78.9	-170.8	-166.4	0	0	111.9	K304 S332 R343	K304-E335 PolarHBondContact NZ-O 2.87Å; S332-E335 PolarHBondContact O-N 2.98Å; S332-E335 VanDerWaalsContact O-N 3.13Å; E335-R343 IonicContact OE2-NH1 2.88Å
336	D	42.4	Very low	37.3	Very low	57 Å²	57	114.3 Å²	114.3	31%	0.305	58%	0.577	S	S	.	*			trans	-90.6	108.6	-172.9	-78.9	-48.4	0	0	0	111.6	K304 D338 A339	K304-D336 WeakPolarHBondContact CE-OD1 3.29Å; K304-D336 IonicContact NZ-OD1 3.94Å; K304-D336 PolarHBondContact NZ-OD1 2.88Å; D336-D338 HydrophobicContact CB-CB 4.48Å; D336-D338 PolarHBondContact O-N 3.29Å; D336-A339 HydrophobicContact CB-CB 3.68Å; D336-A339 WeakPolarHBondContact O-CB 3.34Å; D336-A339 PolarHBondContact O-N 3.47Å
337	S	40.2	Very low	36.9	Very low	110 Å²	110	117.6 Å²	117.6	77%	0.769	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-55	-26.1	160.8	-40.5	0	0	0	0	111.7	A339	S337-A339 VanDerWaalsContact C-N 3.3Å; S337-A339 PolarHBondContact O-N 2.98Å
338	D	42.6	Very low	36.3	Very low	44 Å²	44	108.1 Å²	108.1	24%	0.235	54%	0.544	C	S	.	.	G	3₁₀ helix	trans	-73.4	-12.2	172.9	-91.1	-52.8	0	0	0	114.8	R241 Y284 R301 D336	R241-D338 IonicContact CZ-OD1 3.41Å; R241-D338 PolarHBondContact NH2-O 3.35Å; R241-D338 IonicContact NH2-OD1 3.06Å; R241-D338 PolarHBondContact NH2-OD1 2.83Å; Y284-D338 PolarHBondContact OH-OD1 3.11Å; R301-D338 IonicContact CZ-OD1 2.69Å; R301-D338 IonicContact CZ-OD2 3.54Å; R301-D338 IonicContact NE-OD1 2.63Å; R301-D338 IonicContact NE-OD2 3.49Å; R301-D338 PolarHBondContact NE-OD2 2.94Å; R301-D338 VanDerWaalsContact NH2-CG 3.32Å; R301-D338 IonicContact NH2-OD1 2.61Å; R301-D338 PolarHBondContact NH2-OD1 2.99Å; R301-D338 IonicContact NH2-OD2 3.35Å; R301-D338 PolarHBondContact NH2-OD2 3.05Å; D336-D338 HydrophobicContact CB-CB 4.48Å; D336-D338 PolarHBondContact O-N 3.29Å
339	A	44.7	Very low	35.9	Very low	31 Å²	31	110 Å²	110	26%	0.256	55%	0.554	S	S	.	*	G	3₁₀ helix	trans	-92.7	-3.9	-178.4	0	0	0	0	0	113.6	D336 S337 Y341 S342 R343	D336-A339 HydrophobicContact CB-CB 3.68Å; D336-A339 WeakPolarHBondContact O-CB 3.34Å; D336-A339 PolarHBondContact O-N 3.47Å; S337-A339 VanDerWaalsContact C-N 3.3Å; S337-A339 PolarHBondContact O-N 2.98Å; A339-Y341 VanDerWaalsContact C-N 3.25Å; A339-Y341 PolarHBondContact O-N 2.95Å; A339-S342 CarbonylContact O-C 3.56Å; A339-S342 WeakPolarHBondContact O-CA 3.35Å; A339-S342 PolarHBondContact O-N 3.09Å; A339-R343 PolarHBondContact O-N 3.2Å
340	E	35.6	Very low	35.5	Very low	133 Å²	133	110.6 Å²	110.6	62%	0.621	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	-38.7	178.5	-157.8	121.6	-100.1	0	0	112.3	S342 R343	E340-S342 VanDerWaalsContact C-N 3.3Å; E340-S342 PolarHBondContact O-N 2.92Å; E340-R343 IonicContact OE1-NH2 3.11Å; E340-R343 PolarHBondContact OE1-NH2 3.29Å; E340-R343 VanDerWaalsContact OE1-NH2 3.07Å
341	Y	35.1	Very low	35.3	Very low	175 Å²	175	110.2 Å²	110.2	69%	0.686	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-10.5	174.9	-143	-89.1	0	0	0	114	Y238 A339	Y238-Y341 WeakPolarHBondContact OH-CD1 3.2Å; A339-Y341 VanDerWaalsContact C-N 3.25Å; A339-Y341 PolarHBondContact O-N 2.95Å
342	S	36.1	Very low	34.6	Very low	55 Å²	55	108.6 Å²	108.6	39%	0.385	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-18.8	179.5	-61.6	0	0	0	0	113.6	A339 E340 R344 T345	A339-S342 CarbonylContact O-C 3.56Å; A339-S342 WeakPolarHBondContact O-CA 3.35Å; A339-S342 PolarHBondContact O-N 3.09Å; E340-S342 VanDerWaalsContact C-N 3.3Å; E340-S342 PolarHBondContact O-N 2.92Å; S342-R344 PolarHBondContact O-N 2.72Å; S342-R344 VanDerWaalsContact O-N 3.12Å; S342-T345 PolarHBondContact O-N 2.77Å
343	R	33.5	Very low	34.4	Very low	140 Å²	140	112.2 Å²	112.2	53%	0.528	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.7	-11.6	-179.8	-82.8	-165.2	-80.4	-148.4	1.9	114.8	E335 A339 E340 T345	E335-R343 IonicContact OE2-NH1 2.88Å; A339-R343 PolarHBondContact O-N 3.2Å; E340-R343 IonicContact OE1-NH2 3.11Å; E340-R343 PolarHBondContact OE1-NH2 3.29Å; E340-R343 VanDerWaalsContact OE1-NH2 3.07Å; R343-T345 PolarHBondContact O-N 2.77Å
344	R	32.5	Very low	34.3	Very low	224 Å²	224	109.3 Å²	109.3	85%	0.845	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-2.4	175.2	-79.7	-167.6	176.6	-170.6	1.3	115.6	S342	S342-R344 PolarHBondContact O-N 2.72Å; S342-R344 VanDerWaalsContact O-N 3.12Å
345	T	32	Very low	34.4	Very low	101 Å²	101	108.1 Å²	108.1	62%	0.62	56%	0.556	S	S	*	*	S	Bend	trans	-135.9	145.9	167	64.7	0	0	0	0	112.2	S342 R343	S342-T345 PolarHBondContact O-N 2.77Å; R343-T345 PolarHBondContact O-N 2.77Å
346	K	32.8	Very low	34.8	Very low	199 Å²	199	107.6 Å²	107.6	87%	0.865	55%	0.55	S	S	*	.			trans	70.6	75.7	175	-54.7	170.2	-175	167.9	0	116.2
347	Y	29.7	Very low	35.7	Very low	177 Å²	177	105.4 Å²	105.4	69%	0.694	54%	0.538	S	S	*	.			trans	-66.4	159.2	141.6	-82.8	-68.2	0	0	0	111.2
348	S	25.5	Very low	37.4	Very low	38 Å²	38	102.6 Å²	102.6	27%	0.266	52%	0.518	S	S	.	.			trans	63.6	94.8	178	179.9	0	0	0	0	117	Q955	S348-Q955 PolarHBondContact O-NE2 3.5Å; S348-Q955 VanDerWaalsContact OG-CB 3.29Å; S348-Q955 WeakPolarHBondContact OG-CB 3.5Å; S348-Q955 VanDerWaalsContact OG-CD 3.27Å; S348-Q955 VanDerWaalsContact OG-CG 3.26Å; S348-Q955 WeakPolarHBondContact OG-CG 3.21Å
349	T	28.1	Very low	39.5	Very low	108 Å²	108	100.6 Å²	100.6	66%	0.663	51%	0.508	S	S	*	.				-134.4	173.6	106.4	-33.2	0	0	0	0	108.1
350	S	25.4	Very low	41.9	Very low	66 Å²	66	99.1 Å²	99.1	46%	0.462	50%	0.495	S	S	.	.			trans	-50.7	164.1	160.9	37	0	0	0	0	112	N352	S350-N352 PolarHBondContact O-N 3.02Å; S350-N352 PolarHBondContact OG-OD1 3.26Å
351	P	26.7	Very low	44.8	Very low	98 Å²	98	92.9 Å²	92.9	64%	0.636	47%	0.467	S	S	*	.			trans	-69.2	63.6	170.1	31.4	-36.6	0	0	0	111.3	Q353 Y356	P351-Q353 PolarHBondContact O-N 3.39Å; P351-Y356 HydrophobicContact CB-CE2 3.98Å
352	N	28.2	Very low	47.7	Very low	76 Å²	76	84.7 Å²	84.7	41%	0.406	44%	0.435	S	S	.	.			trans	-60.5	129.1	169.8	-67.6	-3.6	0	0	0	107.4	S350 S354 S355	S350-N352 PolarHBondContact O-N 3.02Å; S350-N352 PolarHBondContact OG-OD1 3.26Å; N352-S354 PolarHBondContact O-N 3.49Å; N352-S355 PolarHBondContact O-N 3.25Å; N352-S355 PolarHBondContact O-OG 2.89Å
353	Q	34.8	Very low	50.6	Low	146 Å²	146	83.5 Å²	83.5	68%	0.682	42%	0.422	S	S	*	.	H	α-helix	trans	-57.1	-20.6	-171.9	-67.9	161.9	-31.4	0	0	113.2	P351 S355 Y356 L357	P351-Q353 PolarHBondContact O-N 3.39Å; Q353-S355 PolarHBondContact O-N 2.69Å; Q353-Y356 PolarHBondContact O-N 2.98Å; Q353-L357 WeakPolarHBondContact O-CD1 3.48Å; Q353-L357 WeakPolarHBondContact O-CG 3.47Å; Q353-L357 PolarHBondContact O-N 3.07Å
354	S	37.9	Very low	53.6	Low	88 Å²	88	77.2 Å²	77.2	62%	0.615	40%	0.399	S	S	*	.	H	α-helix	trans	-58.5	-35.9	173.2	53.8	0	0	0	0	114.9	N352 Y356 L357	N352-S354 PolarHBondContact O-N 3.49Å; S354-Y356 PolarHBondContact O-N 2.72Å; S354-L357 CarbonylContact O-C 3.57Å; S354-L357 PolarHBondContact O-N 2.99Å; S354-L357 VanDerWaalsContact O-N 3.16Å
355	S	41.6	Very low	56.5	Low	79 Å²	79	67.5 Å²	67.5	55%	0.552	37%	0.368	S	S	*	.	H	α-helix	trans	-68.9	-26.2	179.2	65.7	0	0	0	0	112.4	N352 Q353 L357	N352-S355 PolarHBondContact O-N 3.25Å; N352-S355 PolarHBondContact O-OG 2.89Å; Q353-S355 PolarHBondContact O-N 2.69Å; S355-L357 VanDerWaalsContact C-N 3.33Å
356	Y	46	Very low	59.5	Low	114 Å²	114	62.7 Å²	62.7	45%	0.447	34%	0.339	S	S	.	.	H	α-helix	trans	-78.3	-20.5	176.2	-65.1	-88.2	0	0	0	112.4	K308 P351 Q353 S354	K308-Y356 WeakPolarHBondContact CD-O 3.35Å; K308-Y356 WeakPolarHBondContact CE-O 3.31Å; K308-Y356 PolarHBondContact NZ-O 2.94Å; P351-Y356 HydrophobicContact CB-CE2 3.98Å; Q353-Y356 PolarHBondContact O-N 2.98Å; S354-Y356 PolarHBondContact O-N 2.72Å
357	L	61.1	Low	62.6	Low	12 Å²	12	53.9 Å²	53.9	6%	0.063	30%	0.301	C	S	.	.			trans	-121.7	50.1	-168.2	-57.9	165.9	0	0	0	111.3	M309 Y312 Q353 S354 S355 F567	M309-L357 HydrophobicContact CE-CD2 3.98Å; Y312-L357 HydrophobicContact CD1-CD2 4.15Å; Y312-L357 HydrophobicContact CD2-CD1 3.98Å; Y312-L357 HydrophobicContact CD2-CD2 3.81Å; Y312-L357 HydrophobicContact CD2-CG 4.42Å; Y312-L357 HydrophobicContact CE1-CD1 4.26Å; Y312-L357 HydrophobicContact CE1-CD2 4.4Å; Y312-L357 HydrophobicContact CE2-CD1 3.39Å; Y312-L357 HydrophobicContact CE2-CD2 4.08Å; Y312-L357 HydrophobicContact CE2-CG 4.3Å; Y312-L357 HydrophobicContact CG-CD2 3.83Å; Q353-L357 WeakPolarHBondContact O-CD1 3.48Å; Q353-L357 WeakPolarHBondContact O-CG 3.47Å; Q353-L357 PolarHBondContact O-N 3.07Å; S354-L357 CarbonylContact O-C 3.57Å; S354-L357 PolarHBondContact O-N 2.99Å; S354-L357 VanDerWaalsContact O-N 3.16Å; S355-L357 VanDerWaalsContact C-N 3.33Å; L357-F567 HydrophobicContact CB-CD1 3.7Å; L357-F567 HydrophobicContact CB-CD2 4.47Å; L357-F567 HydrophobicContact CB-CE1 3.96Å; L357-F567 HydrophobicContact CB-CG 3.98Å; L357-F567 HydrophobicContact CB-CZ 4.46Å; L357-F567 HydrophobicContact CD1-CD1 4.17Å; L357-F567 HydrophobicContact CD1-CE1 3.58Å; L357-F567 HydrophobicContact CD1-CZ 3.97Å; L357-F567 HydrophobicContact CD2-CZ 4.5Å; L357-F567 HydrophobicContact CG-CE1 4.27Å; L357-F567 WeakPolarHBondContact O-CB 3.19Å
358	S	74.8	Confident	65.7	Low	51 Å²	51	46 Å²	46	36%	0.357	27%	0.27	S	S	.	.			trans	-71.8	127	168.7	177.5	0	0	0	0	110	R244	R244-S358 WeakPolarHBondContact CD-OG 3.35Å; R244-S358 PolarHBondContact NH1-O 2.88Å
359	G	87.5	Confident	69	Low	1 Å²	1	46.7 Å²	46.7	1%	0.01	28%	0.275	C	S	.	.			trans	-57.9	161.8	-179.5	0	0	0	0	0	114.2	R244 N564 Y568	R244-G359 WeakPolarHBondContact CB-O 3.27Å; R244-G359 WeakPolarHBondContact CD-O 3.38Å; G359-N564 VanDerWaalsContact CA-O 3.27Å; G359-N564 WeakPolarHBondContact CA-O 3.41Å; G359-Y568 VanDerWaalsContact C-OH 3.27Å; G359-Y568 PolarHBondContact O-OH 2.88Å
360	V	94.6	Very high	72.2	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.253	C	S	.	.			trans	-145.8	139.2	-175.9	-176.5	0	0	0	0	110	R244 Y246 L302 C305 L561 N564 Y568	R244-V360 HydrophobicContact CB-CG2 4.3Å; Y246-V360 HydrophobicContact CD2-CG1 4.09Å; Y246-V360 HydrophobicContact CE2-CG1 4.03Å; L302-V360 HydrophobicContact CD2-CG1 3.94Å; C305-V360 HydrophobicContact CB-CG1 4.46Å; C305-V360 HydrophobicContact CB-CG2 3.9Å; V360-L561 HydrophobicContact CB-CD2 4.43Å; V360-L561 HydrophobicContact CG1-CD2 4.13Å; V360-N564 HydrophobicContact CB-CB 4.08Å; V360-N564 HydrophobicContact CG2-CB 4.14Å; V360-Y568 VanDerWaalsContact CA-OH 3.26Å; V360-Y568 WeakPolarHBondContact CA-OH 3.31Å; V360-Y568 PolarHBondContact N-OH 3.29Å
361	I	96.7	Very high	75.6	Confident	3 Å²	3	40.1 Å²	40.1	2%	0.015	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-122.5	119.3	169.1	-48.6	178	0	0	0	108.4	T121 D124 Q125 F128 R244 N245 Y246 Y568	T121-I361 HydrophobicContact CG2-CD1 3.92Å; T121-I361 WeakPolarHBondContact O-CD1 3.31Å; D124-I361 HydrophobicContact CB-CD1 3.63Å; D124-I361 HydrophobicContact CB-CG2 4.23Å; Q125-I361 HydrophobicContact CB-CD1 4.01Å; F128-I361 HydrophobicContact CB-CG2 4.32Å; F128-I361 HydrophobicContact CD1-CG2 4.44Å; F128-I361 HydrophobicContact CG-CG2 4.36Å; R244-I361 PolarHBondContact O-N 2.84Å; R244-I361 VanDerWaalsContact O-N 3.1Å; N245-I361 HydrophobicContact CB-CB 4.4Å; N245-I361 HydrophobicContact CB-CD1 4.23Å; Y246-I361 WeakPolarHBondContact CB-O 3.32Å; Y246-I361 PolarHBondContact N-O 3.44Å; I361-Y568 HydrophobicContact CD1-CE2 4.1Å; I361-Y568 HydrophobicContact CG1-CE2 3.63Å; I361-Y568 PolarHBondContact N-OH 2.84Å
362	P	96.7	Very high	78.8	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.013	21%	0.214	C	C	.	.			trans	-78	153.5	176.7	31.6	-33.2	0	0	0	112.1	F128 L302 L364 F367 L561	F128-P362 HydrophobicContact CD2-CG 4.31Å; F128-P362 VanDerWaalsContact CE1-CD 3.48Å; F128-P362 HydrophobicContact CE1-CG 4.11Å; F128-P362 HydrophobicContact CE2-CG 3.56Å; F128-P362 HydrophobicContact CZ-CG 3.46Å; F128-P362 VanDerWaalsContact CZ-CG 3.46Å; L302-P362 HydrophobicContact CD1-CB 3.78Å; L302-P362 HydrophobicContact CD2-CB 3.88Å; L302-P362 HydrophobicContact CG-CB 4.49Å; P362-L364 PolarHBondContact O-N 2.86Å; P362-L364 VanDerWaalsContact O-N 3.11Å; P362-F367 HydrophobicContact CB-CE2 3.77Å; P362-F367 HydrophobicContact CG-CE2 4.11Å; P362-L561 HydrophobicContact CB-CD1 4.07Å; P362-L561 HydrophobicContact CG-CD1 4.08Å
363	Y	97	Very high	82	Confident	30 Å²	30	39.8 Å²	39.8	12%	0.118	23%	0.225	C	C	.	.			trans	-68.9	104.7	155.8	174.1	-121.1	0	0	0	108.6	Y155 K250 G365 V366	Y155-Y363 AromaticContact CD2-CD2 3.98Å; Y155-Y363 HydrophobicContact CD2-CD2 3.98Å; Y155-Y363 AromaticContact CD2-CE2 3.93Å; Y155-Y363 HydrophobicContact CD2-CE2 3.93Å; Y155-Y363 HydrophobicContact CE1-CE2 4.27Å; Y155-Y363 AromaticContact CE2-CD2 3.53Å; Y155-Y363 HydrophobicContact CE2-CD2 3.53Å; Y155-Y363 AromaticContact CE2-CE2 3.41Å; Y155-Y363 HydrophobicContact CE2-CE2 3.41Å; Y155-Y363 VanDerWaalsContact CE2-CE2 3.41Å; Y155-Y363 AromaticContact CZ-CE2 3.62Å; K250-Y363 HydrophobicContact CB-CG 4.46Å; K250-Y363 HydrophobicContact CD-CD1 3.68Å; K250-Y363 HydrophobicContact CD-CD2 4.48Å; K250-Y363 HydrophobicContact CD-CE1 3.98Å; K250-Y363 HydrophobicContact CD-CG 3.97Å; Y363-G365 PolarHBondContact O-N 3.27Å; Y363-G365 VanDerWaalsContact O-N 3.09Å; Y363-V366 HydrophobicContact CD1-CG2 3.87Å; Y363-V366 WeakPolarHBondContact O-CG2 3.33Å; Y363-V366 PolarHBondContact O-N 3.28Å; Y363-V366 VanDerWaalsContact O-N 3.14Å
364	L	96.1	Very high	84.8	Confident	8 Å²	8	33.4 Å²	33.4	4%	0.042	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-29.3	-172.6	-176.1	62.1	0	0	0	113.3	M131 V148 T151 P362 V366 F367 L368	M131-L364 HydrophobicContact CE-CD1 3.85Å; M131-L364 HydrophobicContact SD-CD1 3.75Å; M131-L364 HydrophobicContact SD-CD2 3.5Å; M131-L364 VanDerWaalsContact SD-CD2 3.5Å; M131-L364 HydrophobicContact SD-CG 4.28Å; V148-L364 HydrophobicContact CG1-CD2 4.18Å; V148-L364 HydrophobicContact CG2-CD2 4.45Å; T151-L364 HydrophobicContact CG2-CB 4.48Å; T151-L364 HydrophobicContact CG2-CD2 3.93Å; P362-L364 PolarHBondContact O-N 2.86Å; P362-L364 VanDerWaalsContact O-N 3.11Å; L364-V366 PolarHBondContact O-N 3.14Å; L364-V366 VanDerWaalsContact O-N 3.11Å; L364-F367 PolarHBondContact O-N 3.34Å; L364-L368 HydrophobicContact CD1-CG 4.49Å; L364-L368 HydrophobicContact CD2-CD1 3.97Å; L364-L368 HydrophobicContact CG-CD1 3.8Å; L364-L368 HydrophobicContact CG-CG 3.97Å; L364-L368 PolarHBondContact O-N 3.08Å; L364-L368 VanDerWaalsContact O-N 3.15Å
365	G	94.4	Very high	87.4	Confident	20 Å²	20	31.5 Å²	31.5	21%	0.206	18%	0.177	C	C	.	.	H	α-helix	trans	-56.7	-24.4	177.9	0	0	0	0	0	115	Y363 F367 S369	Y363-G365 PolarHBondContact O-N 3.27Å; Y363-G365 VanDerWaalsContact O-N 3.09Å; G365-F367 VanDerWaalsContact C-N 3.33Å; G365-F367 PolarHBondContact O-N 3.1Å; G365-S369 WeakPolarHBondContact O-CB 3.48Å; G365-S369 PolarHBondContact O-N 3.43Å; G365-S369 VanDerWaalsContact O-N 3.14Å; G365-S369 PolarHBondContact O-OG 2.94Å; G365-S369 VanDerWaalsContact O-OG 3.06Å
366	V	94.6	Very high	89.8	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-61.7	-40.7	173.5	-177.6	0	0	0	0	111.5	L298 R299 Y363 L364 S369 D370	L298-V366 HydrophobicContact CD2-CG2 3.73Å; L298-V366 HydrophobicContact CG-CG2 4.39Å; R299-V366 HydrophobicContact CG-CG1 3.92Å; Y363-V366 HydrophobicContact CD1-CG2 3.87Å; Y363-V366 WeakPolarHBondContact O-CG2 3.33Å; Y363-V366 PolarHBondContact O-N 3.28Å; Y363-V366 VanDerWaalsContact O-N 3.14Å; L364-V366 PolarHBondContact O-N 3.14Å; L364-V366 VanDerWaalsContact O-N 3.11Å; V366-S369 PolarHBondContact O-OG 3.12Å; V366-D370 VanDerWaalsContact O-CG 3.26Å
367	F	96.5	Very high	92.1	Very high	13 Å²	13	32.7 Å²	32.7	6%	0.057	19%	0.186	C	C	.	.	H	α-helix	trans	-87.6	-34.4	-176.9	-57.4	-63.1	0	0	0	112.3	L302 P362 L364 G365 S369 D370 L371 I554 N557 I558 L561	L302-F367 HydrophobicContact CD1-CE2 4.3Å; L302-F367 HydrophobicContact CD1-CZ 4.17Å; P362-F367 HydrophobicContact CB-CE2 3.77Å; P362-F367 HydrophobicContact CG-CE2 4.11Å; L364-F367 PolarHBondContact O-N 3.34Å; G365-F367 VanDerWaalsContact C-N 3.33Å; G365-F367 PolarHBondContact O-N 3.1Å; F367-S369 VanDerWaalsContact C-N 3.33Å; F367-S369 PolarHBondContact O-N 3.31Å; F367-D370 PolarHBondContact O-N 2.93Å; F367-L371 WeakPolarHBondContact O-CG 3.36Å; F367-L371 PolarHBondContact O-N 3.42Å; F367-I554 HydrophobicContact CB-CG2 3.92Å; F367-I554 HydrophobicContact CD1-CG2 4Å; F367-I554 HydrophobicContact CG-CG2 4.35Å; F367-N557 HydrophobicContact CE1-CB 4.36Å; F367-I558 HydrophobicContact CB-CD1 3.83Å; F367-I558 HydrophobicContact CB-CG1 4.09Å; F367-I558 HydrophobicContact CD1-CG1 4.38Å; F367-I558 HydrophobicContact CD2-CD1 4.32Å; F367-I558 HydrophobicContact CD2-CG1 3.76Å; F367-I558 HydrophobicContact CE2-CG1 4.25Å; F367-I558 HydrophobicContact CG-CD1 4.14Å; F367-I558 HydrophobicContact CG-CG1 3.82Å; F367-L561 HydrophobicContact CE2-CD1 3.76Å; F367-L561 HydrophobicContact CZ-CD1 3.64Å
368	L	96.4	Very high	93.4	Very high	11 Å²	11	32.8 Å²	32.8	6%	0.058	19%	0.187	C	C	.	.	H	α-helix	trans	-65.8	-35.9	176.2	-62.8	175.5	0	0	0	111.8	C136 Y139 V148 I152 L364 T372	C136-L368 HydrophobicContact CB-CD2 4.05Å; Y139-L368 HydrophobicContact CD1-CB 4.3Å; Y139-L368 HydrophobicContact CD1-CD1 3.99Å; Y139-L368 HydrophobicContact CD1-CD2 3.91Å; Y139-L368 HydrophobicContact CD1-CG 4.28Å; Y139-L368 HydrophobicContact CE1-CB 4.25Å; Y139-L368 HydrophobicContact CE1-CD1 3.87Å; Y139-L368 HydrophobicContact CE1-CG 4.45Å; Y139-L368 HydrophobicContact CG-CD2 4.42Å; V148-L368 HydrophobicContact CG1-CD1 3.73Å; V148-L368 HydrophobicContact CG1-CD2 4.27Å; I152-L368 HydrophobicContact CD1-CD1 4.39Å; L364-L368 HydrophobicContact CD1-CG 4.49Å; L364-L368 HydrophobicContact CD2-CD1 3.97Å; L364-L368 HydrophobicContact CG-CD1 3.8Å; L364-L368 HydrophobicContact CG-CG 3.97Å; L364-L368 PolarHBondContact O-N 3.08Å; L364-L368 VanDerWaalsContact O-N 3.15Å; L368-T372 VanDerWaalsContact O-CB 3.29Å; L368-T372 WeakPolarHBondContact O-CB 3.34Å; L368-T372 PolarHBondContact O-N 3.32Å; L368-T372 PolarHBondContact O-OG1 2.9Å
369	S	94.7	Very high	94.2	Very high	53 Å²	53	34.3 Å²	34.3	37%	0.371	20%	0.196	S	C	.	.	H	α-helix	trans	-64.9	-42.1	172.8	58.5	0	0	0	0	112.1	G365 V366 F367 T372 L373	G365-S369 WeakPolarHBondContact O-CB 3.48Å; G365-S369 PolarHBondContact O-N 3.43Å; G365-S369 VanDerWaalsContact O-N 3.14Å; G365-S369 PolarHBondContact O-OG 2.94Å; G365-S369 VanDerWaalsContact O-OG 3.06Å; V366-S369 PolarHBondContact O-OG 3.12Å; F367-S369 VanDerWaalsContact C-N 3.33Å; F367-S369 PolarHBondContact O-N 3.31Å; S369-T372 PolarHBondContact O-N 3.34Å; S369-L373 VanDerWaalsContact O-CB 3.31Å; S369-L373 WeakPolarHBondContact O-CB 3.35Å; S369-L373 PolarHBondContact O-N 3.33Å
370	D	94.6	Very high	94.2	Very high	36 Å²	36	36.7 Å²	36.7	19%	0.193	21%	0.209	C	C	.	.	H	α-helix	trans	-63.9	-45.2	178.1	-67.6	-6.9	0	0	0	111.4	R299 V366 F367 L373 L374 I554	R299-D370 IonicContact CZ-OD1 2.74Å; R299-D370 IonicContact CZ-OD2 3.59Å; R299-D370 IonicContact NH1-OD1 3.4Å; R299-D370 PolarHBondContact NH1-OD1 3.41Å; R299-D370 IonicContact NH1-OD2 3.51Å; R299-D370 PolarHBondContact NH1-OD2 2.88Å; R299-D370 IonicContact NH2-OD1 3.39Å; R299-D370 PolarHBondContact NH2-OD1 3.05Å; R299-D370 IonicContact NH2-OD2 2.7Å; V366-D370 VanDerWaalsContact O-CG 3.26Å; F367-D370 PolarHBondContact O-N 2.93Å; D370-L373 PolarHBondContact O-N 3.23Å; D370-L374 WeakPolarHBondContact O-CB 3.5Å; D370-L374 PolarHBondContact O-N 3.02Å; D370-I554 HydrophobicContact CB-CD1 3.76Å; D370-I554 HydrophobicContact CB-CG1 4.44Å
371	L	96.1	Very high	94	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-64.2	-41	176.4	-70.7	175.2	0	0	0	111.9	C136 L137 A140 F367 L374 H375 E551 I554 L555	C136-L371 HydrophobicContact CB-CD1 3.79Å; L137-L371 HydrophobicContact CD2-CD1 4.26Å; L137-L371 HydrophobicContact CD2-CD2 3.77Å; A140-L371 HydrophobicContact CB-CB 3.7Å; F367-L371 WeakPolarHBondContact O-CG 3.36Å; F367-L371 PolarHBondContact O-N 3.42Å; L371-L374 PolarHBondContact O-N 3.06Å; L371-H375 WeakPolarHBondContact O-CB 3.28Å; L371-H375 PolarHBondContact O-N 3.42Å; L371-E551 HydrophobicContact CD2-CB 4.4Å; L371-E551 HydrophobicContact CD2-CG 4.48Å; L371-I554 HydrophobicContact CD1-CG2 4.29Å; L371-I554 HydrophobicContact CD2-CB 3.91Å; L371-I554 HydrophobicContact CD2-CD1 3.79Å; L371-I554 HydrophobicContact CD2-CG1 4.48Å; L371-I554 HydrophobicContact CD2-CG2 3.92Å; L371-I554 HydrophobicContact CG-CB 4.38Å; L371-I554 HydrophobicContact CG-CD1 4.3Å; L371-I554 HydrophobicContact CG-CG2 3.84Å; L371-L555 HydrophobicContact CD1-CD2 4.02Å
372	T	95.3	Very high	93.5	Very high	45 Å²	45	44 Å²	44	28%	0.276	24%	0.239	S	C	.	.	H	α-helix	trans	-67.8	-42.8	178.5	-54.9	0	0	0	0	111	L368 S369 H375 H376	L368-T372 VanDerWaalsContact O-CB 3.29Å; L368-T372 WeakPolarHBondContact O-CB 3.34Å; L368-T372 PolarHBondContact O-N 3.32Å; L368-T372 PolarHBondContact O-OG1 2.9Å; S369-T372 PolarHBondContact O-N 3.34Å; T372-H375 PolarHBondContact O-N 3.21Å; T372-H376 PolarHBondContact O-N 3.09Å; T372-H376 PolarHBondContact O-ND1 3.44Å
373	L	93.9	Very high	92.8	Very high	122 Å²	122	46.6 Å²	46.6	64%	0.639	26%	0.257	S	S	*	.	H	α-helix	trans	-64.3	-40.4	175.1	-176.2	62.4	0	0	0	111.4	S369 D370 H376 S377	S369-L373 VanDerWaalsContact O-CB 3.31Å; S369-L373 WeakPolarHBondContact O-CB 3.35Å; S369-L373 PolarHBondContact O-N 3.33Å; D370-L373 PolarHBondContact O-N 3.23Å; L373-H376 PolarHBondContact O-N 3.17Å; L373-S377 WeakPolarHBondContact O-CB 3.31Å; L373-S377 PolarHBondContact O-N 3.09Å; L373-S377 PolarHBondContact O-OG 3.07Å
374	L	93.7	Very high	91.5	Very high	12 Å²	12	51.1 Å²	51.1	6%	0.063	27%	0.274	C	S	.	.	H	α-helix	trans	-67.1	-33.2	174.8	179.8	60.5	0	0	0	112.9	D370 L371 K547 R550 E551 I554	D370-L374 WeakPolarHBondContact O-CB 3.5Å; D370-L374 PolarHBondContact O-N 3.02Å; L371-L374 PolarHBondContact O-N 3.06Å; L374-K547 HydrophobicContact CD1-CG 4.37Å; L374-K547 HydrophobicContact CG-CG 4.38Å; L374-K547 WeakPolarHBondContact O-CE 3.42Å; L374-R550 HydrophobicContact CD1-CB 4Å; L374-R550 VanDerWaalsContact CD1-CZ 3.42Å; L374-R550 HydrophobicContact CD2-CB 3.53Å; L374-R550 HydrophobicContact CG-CB 4.45Å; L374-E551 HydrophobicContact CD2-CB 4.23Å; L374-E551 HydrophobicContact CD2-CG 3.61Å; L374-E551 VanDerWaalsContact CD2-N 3.28Å; L374-E551 HydrophobicContact CG-CG 4.27Å; L374-I554 HydrophobicContact CD2-CD1 4.2Å
375	H	93.3	Very high	89.8	Confident	48 Å²	48	54.9 Å²	54.9	22%	0.222	30%	0.301	C	S	.	.	H	α-helix	trans	-62.3	-46	175.8	177.7	58.8	0	0	0	111.4	A140 L371 T372 K547	A140-H375 PolarHBondContact O-CD2 3.27Å; L371-H375 WeakPolarHBondContact O-CB 3.28Å; L371-H375 PolarHBondContact O-N 3.42Å; T372-H375 PolarHBondContact O-N 3.21Å; H375-K547 PolarHBondContact O-NZ 3.01Å
376	H	92.8	Very high	88.1	Confident	141 Å²	141	61.6 Å²	61.6	65%	0.653	32%	0.324	S	S	*	.	H	α-helix	trans	-80	-37	-178.7	-64.4	89.4	0	0	0	113.5	T372 L373 S378	T372-H376 PolarHBondContact O-N 3.09Å; T372-H376 PolarHBondContact O-ND1 3.44Å; L373-H376 PolarHBondContact O-N 3.17Å; H376-S378 VanDerWaalsContact C-N 3.28Å; H376-S378 PolarHBondContact O-N 2.87Å
377	S	92.9	Very high	86.1	Confident	76 Å²	76	67.6 Å²	67.6	53%	0.531	35%	0.348	S	S	.	.	S	Bend	trans	-81.2	4	-175.7	62.6	0	0	0	0	115	L373	L373-S377 WeakPolarHBondContact O-CB 3.31Å; L373-S377 PolarHBondContact O-N 3.09Å; L373-S377 PolarHBondContact O-OG 3.07Å
378	S	89.5	Confident	83.1	Confident	14 Å²	14	71.2 Å²	71.2	10%	0.098	38%	0.375	C	S	.	.	S	Bend	trans	-153.8	129.2	178.7	-71.9	0	0	0	0	110.9	H376 K547 R550	H376-S378 VanDerWaalsContact C-N 3.28Å; H376-S378 PolarHBondContact O-N 2.87Å; S378-K547 WeakPolarHBondContact O-CD 3.34Å; S378-K547 VanDerWaalsContact O-CE 3.26Å; S378-K547 WeakPolarHBondContact O-CE 3.43Å; S378-K547 PolarHBondContact O-NZ 2.93Å; S378-R550 PolarHBondContact OG-NH2 2.83Å
379	P	90.3	Very high	80.2	Confident	83 Å²	83	76.3 Å²	76.3	54%	0.539	41%	0.408	S	S	.	.			trans	-71.8	152.2	178.6	32.1	-36.6	0	0	0	111	Y381 N544	P379-Y381 WeakPolarHBondContact CB-O 3.42Å; P379-Y381 WeakPolarHBondContact CG-O 3.19Å; P379-Y381 PolarHBondContact O-N 3.26Å; P379-N544 WeakPolarHBondContact O-CB 3.43Å; P379-N544 PolarHBondContact O-ND2 3.42Å
380	D	88.2	Confident	77.2	Confident	52 Å²	52	78 Å²	78	28%	0.278	42%	0.42	S	S	.	.	S	Bend	trans	-69.7	-22.6	175.6	-59.5	-40.6	0	0	0	112.5	N544 K547	D380-N544 WeakPolarHBondContact O-CB 3.31Å; D380-N544 PolarHBondContact O-N 3.1Å; D380-K547 WeakPolarHBondContact OD1-CD 3.49Å; D380-K547 VanDerWaalsContact OD1-CE 3.29Å; D380-K547 WeakPolarHBondContact OD1-CE 3.34Å; D380-K547 IonicContact OD1-NZ 2.68Å; D380-K547 PolarHBondContact OD1-NZ 2.96Å
381	Y	90.4	Very high	74.2	Confident	123 Å²	123	82.2 Å²	82.2	48%	0.482	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	150.7	-179.4	-55.2	-87.5	0	0	0	111.9	P379 I454 K541 L542 I543	P379-Y381 WeakPolarHBondContact CB-O 3.42Å; P379-Y381 WeakPolarHBondContact CG-O 3.19Å; P379-Y381 PolarHBondContact O-N 3.26Å; Y381-I454 HydrophobicContact CD1-CD1 4.3Å; Y381-I454 HydrophobicContact CE1-CD1 3.89Å; Y381-K541 HydrophobicContact CD1-CB 4.48Å; Y381-L542 CarbonylContact C-O 3.54Å; Y381-L542 WeakPolarHBondContact CA-O 3.29Å; Y381-I543 HydrophobicContact CD1-CG1 4.25Å; Y381-I543 HydrophobicContact CE1-CG1 3.97Å
382	I	86.8	Confident	71.2	Confident	34 Å²	34	90.5 Å²	90.5	17%	0.174	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	135.8	177.6	-49.8	175.1	0	0	0	109.2	K386 Y387 L542 N544	I382-K386 HydrophobicContact CG2-CB 4.35Å; I382-K386 HydrophobicContact CG2-CD 4.27Å; I382-Y387 HydrophobicContact CD1-CE2 4.16Å; I382-Y387 HydrophobicContact CG2-CD2 4.27Å; I382-Y387 HydrophobicContact CG2-CE2 4.09Å; I382-L542 PolarHBondContact N-O 3.41Å; I382-L542 PolarHBondContact O-N 3.17Å; I382-N544 HydrophobicContact CD1-CB 4.12Å; I382-N544 HydrophobicContact CG1-CB 4.01Å
383	S	80.8	Confident	68.1	Low	55 Å²	55	95.8 Å²	95.8	39%	0.385	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	132.4	174.2	-49.3	0	0	0	0	111.8	S385 K386 D540	S383-S385 PolarHBondContact O-N 3.1Å; S383-K386 PolarHBondContact O-N 3.16Å; S383-K386 VanDerWaalsContact O-N 3.09Å; S383-D540 CarbonylContact C-O 3.58Å; S383-D540 VanDerWaalsContact CA-O 3.32Å; S383-D540 WeakPolarHBondContact CA-O 3.39Å
384	R	69.2	Low	65.2	Low	126 Å²	126	97.8 Å²	97.8	48%	0.475	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-59.8	-33.4	-177.9	-162	-179.8	-163.5	145.5	7.3	112.6	K386 Y387 D540 L542	R384-K386 PolarHBondContact O-N 3.2Å; R384-K386 VanDerWaalsContact O-N 3.12Å; R384-Y387 CarbonylContact O-C 3.49Å; R384-Y387 WeakPolarHBondContact O-CA 3.39Å; R384-Y387 PolarHBondContact O-N 2.79Å; R384-D540 WeakPolarHBondContact CB-OD1 3.44Å; R384-D540 PolarHBondContact N-O 2.96Å; R384-D540 PolarHBondContact N-OD2 2.87Å; R384-L542 HydrophobicContact CB-CG 4.47Å; R384-L542 HydrophobicContact CG-CD1 4.2Å; R384-L542 HydrophobicContact CG-CG 4.42Å
385	S	62.2	Low	62.2	Low	86 Å²	86	105.9 Å²	105.9	60%	0.601	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-51.3	-29.7	174	57.6	0	0	0	0	114.6	S383 Y387	S383-S385 PolarHBondContact O-N 3.1Å; S385-Y387 PolarHBondContact O-N 3.17Å
386	K	58.4	Low	59.1	Low	161 Å²	161	111.8 Å²	111.8	70%	0.7	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-75.4	-8.7	176.3	-61.1	-171.4	178.6	-173.9	0	114	I382 S383 R384	I382-K386 HydrophobicContact CG2-CB 4.35Å; I382-K386 HydrophobicContact CG2-CD 4.27Å; S383-K386 PolarHBondContact O-N 3.16Å; S383-K386 VanDerWaalsContact O-N 3.09Å; R384-K386 PolarHBondContact O-N 3.2Å; R384-K386 VanDerWaalsContact O-N 3.12Å
387	Y	52	Low	56.1	Low	128 Å²	128	112.8 Å²	112.8	50%	0.502	58%	0.582	S	S	.	*	G	3₁₀ helix	trans	-128	32.2	-179.3	-78	-80.2	0	0	0	112.7	I382 R384 S385	I382-Y387 HydrophobicContact CD1-CE2 4.16Å; I382-Y387 HydrophobicContact CG2-CD2 4.27Å; I382-Y387 HydrophobicContact CG2-CE2 4.09Å; R384-Y387 CarbonylContact O-C 3.49Å; R384-Y387 WeakPolarHBondContact O-CA 3.39Å; R384-Y387 PolarHBondContact O-N 2.79Å; S385-Y387 PolarHBondContact O-N 3.17Å
388	S	33.7	Very low	53.1	Low	89 Å²	89	116.6 Å²	116.6	62%	0.622	60%	0.595	S	S	*	*			trans	-79.1	120.8	158.4	-172	0	0	0	0	109.1	S390	S388-S390 PolarHBondContact O-N 2.99Å
389	P	36.6	Very low	50.3	Low	118 Å²	118	122.3 Å²	122.3	77%	0.766	63%	0.629	S	S	*	*			trans	-70.5	95.4	174.4	29.4	-33	0	0	0	108.8	N391	P389-N391 PolarHBondContact O-N 3.39Å; P389-N391 VanDerWaalsContact O-N 3.11Å
390	S	31.4	Very low	47.3	Very low	88 Å²	88	126.1 Å²	126.1	62%	0.615	65%	0.646	S	S	*	*			trans	-56.1	119.6	179.1	62.2	0	0	0	0	109.7	S388 K392	S388-S390 PolarHBondContact O-N 2.99Å; S390-K392 PolarHBondContact O-N 3.1Å
391	N	31	Very low	44.5	Very low	125 Å²	125	130.9 Å²	130.9	67%	0.668	67%	0.671	S	S	*	*			trans	-77.3	34.9	-164.9	-153.7	19.5	0	0	0	113.4	P389 N393	P389-N391 PolarHBondContact O-N 3.39Å; P389-N391 VanDerWaalsContact O-N 3.11Å; N391-N393 VanDerWaalsContact C-N 3.33Å; N391-N393 PolarHBondContact O-N 2.86Å
392	K	33.1	Very low	41.9	Very low	174 Å²	174	133.7 Å²	133.7	76%	0.757	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-11.9	-168.1	-73.9	-167	169.3	-170	0	115	S390	S390-K392 PolarHBondContact O-N 3.1Å
393	N	29.9	Very low	39.2	Very low	156 Å²	156	141.8 Å²	141.8	83%	0.834	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.6	38.2	178.2	-64.8	38.4	0	0	0	111.9	N391	N391-N393 VanDerWaalsContact C-N 3.33Å; N391-N393 PolarHBondContact O-N 2.86Å
394	K	32.4	Very low	36.8	Very low	165 Å²	165	144.6 Å²	144.6	72%	0.717	74%	0.742	S	S	*	*	S	Bend	trans	-140.6	21	179	-87	-164.8	173.1	-175.6	0	115
395	Q	30.7	Very low	35	Very low	182 Å²	182	142.9 Å²	142.9	85%	0.85	76%	0.755	S	S	*	*	S	Bend	trans	-123.6	2.2	169.7	-79.6	-176	-58.8	0	0	113.9
396	E	29.6	Very low	33.5	Very low	171 Å²	171	146.6 Å²	146.6	80%	0.799	77%	0.767	S	S	*	*	S	Bend	trans	-107	150	159.4	-64.8	-176.9	133.8	0	0	108.3
397	I	28.1	Very low	32.3	Very low	162 Å²	162	144.1 Å²	144.1	83%	0.831	77%	0.767	S	S	*	*	S	Bend	trans	74.1	134.5	-163.1	-45.9	164.7	0	0	0	111.6
398	I	30.8	Very low	31.2	Very low	157 Å²	157	143.1 Å²	143.1	81%	0.805	78%	0.779	S	S	*	*	S	Bend	trans	75.3	59.2	-173.2	-35.4	177.2	0	0	0	115.9
399	T	30.5	Very low	31	Very low	133 Å²	133	144.4 Å²	144.4	82%	0.816	78%	0.783	S	S	*	*			trans	-154.1	7.3	145.3	17.9	0	0	0	0	115.3	N401	T399-N401 PolarHBondContact O-N 3.3Å
400	N	27.2	Very low	30.8	Very low	164 Å²	164	145.1 Å²	145.1	88%	0.877	78%	0.781	S	S	*	*			trans	-78.6	84.4	170.4	-86	-7.6	0	0	0	111.1
401	N	30.4	Very low	30.6	Very low	151 Å²	151	146.2 Å²	146.2	81%	0.807	78%	0.784	S	S	*	*			trans	179	150.1	147.3	-96.5	-39.1	0	0	0	112.1	T399	T399-N401 PolarHBondContact O-N 3.3Å
402	Q	35.6	Very low	30.4	Very low	182 Å²	182	145.6 Å²	145.6	85%	0.85	79%	0.785	S	S	*	*			trans	70.6	108	-179.2	-49.1	179.7	6.7	0	0	112.8
403	K	29.5	Very low	30.1	Very low	205 Å²	205	142.6 Å²	142.6	89%	0.891	78%	0.781	S	S	*	*				49.6	123	79.1	-68.8	-174.8	173.7	-177.6	0	111.1
404	S	30.1	Very low	30	Very low	113 Å²	113	141.7 Å²	141.7	79%	0.79	78%	0.775	S	S	*	*			cis	-168	164.8	31.3	49.9	0	0	0	0	112.9
405	A	32.2	Very low	29.8	Very low	91 Å²	91	139 Å²	139	75%	0.752	77%	0.772	S	S	*	*			trans	65.3	144.1	172.6	0	0	0	0	0	115.8
406	L	29.3	Very low	29.7	Very low	163 Å²	163	136.6 Å²	136.6	85%	0.853	77%	0.765	S	S	*	*			cis	171.1	160.1	-21.3	-101.2	158.1	0	0	0	103.4
407	P	34.5	Very low	29.6	Very low	109 Å²	109	134.9 Å²	134.9	71%	0.708	76%	0.762	S	S	*	*				-134.1	-135.9	-127.1	41.7	-21.4	0	0	0	113.6
408	S	28.4	Very low	29.7	Very low	108 Å²	108	134.1 Å²	134.1	76%	0.755	76%	0.76	S	S	*	*			trans	80.5	142.5	-177.6	77.7	0	0	0	0	115
409	T	30.3	Very low	29.7	Very low	115 Å²	115	133.7 Å²	133.7	71%	0.706	76%	0.757	S	S	*	*			cis	-166.1	156	-14.5	15.3	0	0	0	0	106.5
410	N	31	Very low	29.6	Very low	134 Å²	134	133.7 Å²	133.7	72%	0.717	75%	0.752	S	S	*	*			cis	-119.3	-161.8	1.4	-80.8	-61.2	0	0	0	109.1
411	T	27.1	Very low	29.7	Very low	111 Å²	111	132.1 Å²	132.1	68%	0.681	74%	0.744	S	S	*	*			cis	69.4	144	18.3	26.2	0	0	0	0	115.8
412	T	28.4	Very low	29.7	Very low	112 Å²	112	131.7 Å²	131.7	69%	0.687	74%	0.742	S	S	*	*			cis	-152.6	150.5	7.2	-11	0	0	0	0	111.1
413	T	26.5	Very low	29.4	Very low	111 Å²	111	130.2 Å²	130.2	68%	0.681	74%	0.738	S	S	*	*			trans	19	150.3	136.7	60.2	0	0	0	0	121.4
414	I	27.8	Very low	29.4	Very low	136 Å²	136	127.3 Å²	127.3	70%	0.697	73%	0.732	S	S	*	*			cis	-169.2	176.2	10.5	-118	166.1	0	0	0	110.8
415	T	28.8	Very low	29.3	Very low	108 Å²	108	126.5 Å²	126.5	66%	0.663	73%	0.726	S	S	*	*			trans	67.1	114.5	162.9	45.7	0	0	0	0	121.8
416	D	26.7	Very low	29	Very low	132 Å²	132	127.6 Å²	127.6	71%	0.706	73%	0.729	S	S	*	*				78.7	117.4	116.3	-62	13.9	0	0	0	124.1
417	N	29.1	Very low	28.8	Very low	135 Å²	135	126.2 Å²	126.2	72%	0.722	73%	0.727	S	S	*	*			trans	84.4	115.2	134.6	-63.9	-26.6	0	0	0	122.2
418	N	28.8	Very low	28.3	Very low	147 Å²	147	128.1 Å²	128.1	79%	0.786	73%	0.73	S	S	*	*			trans	87.7	145	140.4	-75.7	-22.4	0	0	0	121.3
419	I	32.1	Very low	28.2	Very low	147 Å²	147	127.5 Å²	127.5	75%	0.754	73%	0.725	S	S	*	*			trans	76.9	100.6	167.3	-59.9	154.9	0	0	0	114.9
420	N	26.9	Very low	28	Very low	134 Å²	134	127.2 Å²	127.2	72%	0.717	74%	0.735	S	S	*	*				49.1	147.3	121.4	-64	36.8	0	0	0	120.6
421	D	31.2	Very low	27.8	Very low	131 Å²	131	127.6 Å²	127.6	70%	0.701	74%	0.735	S	S	*	*			cis	-138.5	172	13.6	-86.5	-52.9	0	0	0	112.6
422	D	29.1	Very low	27.9	Very low	142 Å²	142	129.2 Å²	129.2	76%	0.759	74%	0.739	S	S	*	*			trans	12.5	139.3	157.2	-66.7	-30.2	0	0	0	122.4
423	I	30.6	Very low	27.7	Very low	151 Å²	151	129.3 Å²	129.3	77%	0.774	74%	0.736	S	S	*	*				179.5	134.6	108.8	-92.1	162	0	0	0	112.9
424	N	28.2	Very low	27.8	Very low	143 Å²	143	130.8 Å²	130.8	77%	0.765	75%	0.745	S	S	*	*			trans	72.1	104.8	158.1	-74.9	-20.6	0	0	0	124.1
425	S	27.6	Very low	27.7	Very low	96 Å²	96	130.6 Å²	130.6	67%	0.671	75%	0.745	S	S	*	*				84.9	88.6	116.7	73.2	0	0	0	0	122.4
426	S	26	Very low	27.4	Very low	114 Å²	114	135.8 Å²	135.8	80%	0.797	75%	0.754	S	S	*	*				62.1	81.7	121.4	68	0	0	0	0	120.5
427	V	25	Very low	27.4	Very low	135 Å²	135	139.8 Å²	139.8	82%	0.818	77%	0.766	S	S	*	*			trans	-144.9	159.5	148	-145.8	0	0	0	0	110
428	I	25.4	Very low	27.1	Very low	149 Å²	149	138.5 Å²	138.5	76%	0.764	77%	0.767	S	S	*	*			trans	84.8	107.2	160.1	-63.8	162.4	0	0	0	118.7
429	S	25.5	Very low	26.9	Very low	95 Å²	95	141.3 Å²	141.3	66%	0.664	77%	0.772	S	S	*	*			trans	45.8	126.4	147.6	70.4	0	0	0	0	123
430	A	26.9	Very low	26.5	Very low	109 Å²	109	143.2 Å²	143.2	90%	0.901	78%	0.778	S	S	*	*			trans	-108.1	110.9	135.3	0	0	0	0	0	109
431	I	25.2	Very low	26.2	Very low	142 Å²	142	142.6 Å²	142.6	73%	0.728	78%	0.784	S	S	*	*			trans	-94.6	129.3	166.6	-70	161.8	0	0	0	107.1
432	N	29.5	Very low	26	Very low	144 Å²	144	141.9 Å²	141.9	77%	0.77	79%	0.785	S	S	*	*			trans	-158.7	117.5	156	-104.3	-41.9	0	0	0	111.7
433	N	25.1	Very low	25.7	Very low	115 Å²	115	144 Å²	144	62%	0.615	79%	0.787	S	S	*	*			trans	22.9	129.4	145.1	-55.3	-42.8	0	0	0	118.3
434	T	27.8	Very low	25.5	Very low	141 Å²	141	143.6 Å²	143.6	87%	0.865	79%	0.786	S	S	*	*				-127.2	144.7	55.1	44.6	0	0	0	0	115.8
435	N	25.3	Very low	25.4	Very low	133 Å²	133	140.3 Å²	140.3	71%	0.711	77%	0.773	S	S	*	*			trans	-87.7	130.4	175.3	-68.4	-67.3	0	0	0	111
436	Y	23.4	Very low	25.5	Very low	216 Å²	216	142.7 Å²	142.7	85%	0.847	77%	0.768	S	S	*	*			trans	-167.2	66	143	-106.7	-63.1	0	0	0	112.7
437	F	26.7	Very low	25.5	Very low	217 Å²	217	140.7 Å²	140.7	95%	0.952	77%	0.765	S	S	*	*			trans	-137.9	89.6	157.7	-104.2	-75.7	0	0	0	110.3	K439	F437-K439 PolarHBondContact O-N 3.16Å
438	S	23.8	Very low	25.6	Very low	107 Å²	107	141.6 Å²	141.6	75%	0.748	76%	0.764	S	S	*	*			trans	-76.1	107.8	-178.1	32.5	0	0	0	0	112	Q440	S438-Q440 PolarHBondContact O-N 3.14Å
439	K	22.7	Very low	25.7	Very low	206 Å²	206	139.4 Å²	139.4	90%	0.896	75%	0.753	S	S	*	*			trans	21.9	93.6	153.1	-64	176.7	179.8	173.7	0	116.8	F437	F437-K439 PolarHBondContact O-N 3.16Å
440	Q	23.8	Very low	26	Very low	187 Å²	187	142.8 Å²	142.8	87%	0.874	76%	0.756	S	S	*	*			trans	-125.4	131	140.3	-79.7	-163.7	-2.4	0	0	110.5	S438	S438-Q440 PolarHBondContact O-N 3.14Å
441	S	21.7	Very low	26.1	Very low	121 Å²	121	141.1 Å²	141.1	85%	0.846	73%	0.731	S	S	*	*			trans	-85.5	112.5	179.8	-179.5	0	0	0	0	109.8
442	V	25.8	Very low	26.4	Very low	117 Å²	117	139.5 Å²	139.5	71%	0.709	72%	0.723	S	S	*	*			trans	-126	125.2	167.7	-176	0	0	0	0	108.1
443	K	24.4	Very low	26.4	Very low	187 Å²	187	134.7 Å²	134.7	81%	0.813	70%	0.696	S	S	*	*			trans	-68.8	133.2	-174.9	-61.7	173.9	-178.9	176.5	0	110.3	P445	K443-P445 WeakPolarHBondContact O-CD 3.39Å
444	N	26.2	Very low	26.9	Very low	141 Å²	141	133 Å²	133	75%	0.754	69%	0.686	S	S	*	*			trans	-79.8	116.7	168.4	178.1	13.8	0	0	0	109.6	Y446	N444-Y446 PolarHBondContact OD1-N 3.47Å
445	P	25.6	Very low	27.2	Very low	75 Å²	75	130 Å²	130	49%	0.487	67%	0.671	S	S	.	*			trans	-97.2	3	-171.9	34.5	-28.1	0	0	0	115.1	I325 K443	I325-P445 HydrophobicContact CD1-CG 4.04Å; K443-P445 WeakPolarHBondContact O-CD 3.39Å
446	Y	29.4	Very low	27.8	Very low	146 Å²	146	128.8 Å²	128.8	57%	0.573	66%	0.664	S	S	*	*			trans	-124.2	114.3	-179.3	-64.4	-69.7	0	0	0	112.4	N444	N444-Y446 PolarHBondContact OD1-N 3.47Å
447	G	26.5	Very low	28.3	Very low	71 Å²	71	122 Å²	122	73%	0.732	64%	0.64	S	S	*	*			trans	-98.9	174.7	-172.8	0	0	0	0	0	115.7
448	I	27.2	Very low	28.4	Very low	155 Å²	155	119.9 Å²	119.9	80%	0.795	64%	0.638	S	S	*	*			trans	59.6	101.2	171.2	-49.6	-179	0	0	0	114.6	K450	I448-K450 PolarHBondContact O-N 3.21Å; I448-K450 VanDerWaalsContact O-N 3.16Å
449	I	28	Very low	28.7	Very low	103 Å²	103	117.8 Å²	117.8	53%	0.528	63%	0.634	S	S	.	*			trans	-66	111.1	170	-58.5	172.4	0	0	0	108.9	L451	I449-L451 HydrophobicContact CG2-CG 4.39Å
450	K	30.8	Very low	29	Very low	166 Å²	166	114.2 Å²	114.2	72%	0.722	62%	0.624	S	S	*	*			trans	-90.1	109.9	167.1	-71.3	-175.5	177.7	-179.9	0	109.6	I448 L545	I448-K450 PolarHBondContact O-N 3.21Å; I448-K450 VanDerWaalsContact O-N 3.16Å; K450-L545 WeakPolarHBondContact O-CD1 3.39Å
451	L	29	Very low	29.2	Very low	74 Å²	74	111.8 Å²	111.8	39%	0.387	61%	0.611	S	S	.	*			trans	-80.1	131.1	164.9	-69.4	154.8	0	0	0	108.2	I449 L542 L545	I449-L451 HydrophobicContact CG2-CG 4.39Å; L451-L542 HydrophobicContact CD1-CD1 4.06Å; L451-L542 HydrophobicContact CD2-CD1 4.44Å; L451-L545 HydrophobicContact CD2-CD1 4.5Å
452	L	31.3	Very low	29.5	Very low	107 Å²	107	112.9 Å²	112.9	56%	0.56	61%	0.613	S	S	*	*			trans	-108.6	148.3	178.1	-79.1	162.9	0	0	0	110.3
453	H	30.5	Very low	29.5	Very low	44 Å²	44	118.6 Å²	118.6	20%	0.204	62%	0.622	C	S	.	*			trans	-84.6	151.5	-179.6	-151.6	-113.1	0	0	0	111.2	S455 D456	H453-S455 PolarHBondContact CE1-OG 3.04Å; H453-S455 PolarHBondContact ND1-OG 3.02Å; H453-S455 PolarHBondContact O-N 3.48Å; H453-D456 WeakPolarHBondContact CA-OD2 3.46Å; H453-D456 VanDerWaalsContact CB-OD2 3.26Å; H453-D456 WeakPolarHBondContact CB-OD2 3.3Å; H453-D456 PolarHBondContact N-OD2 3.37Å; H453-D456 WeakPolarHBondContact O-CB 3.46Å; H453-D456 PolarHBondContact O-N 3.46Å
454	I	36	Very low	29.6	Very low	78 Å²	78	113.1 Å²	113.1	40%	0.4	61%	0.607	S	S	.	*	G	3₁₀ helix	trans	-61.7	-32.2	176.8	-62.6	173.3	0	0	0	110.5	Y381 D456 I543	Y381-I454 HydrophobicContact CD1-CD1 4.3Å; Y381-I454 HydrophobicContact CE1-CD1 3.89Å; I454-D456 VanDerWaalsContact C-N 3.29Å; I454-D456 PolarHBondContact O-N 3.47Å; I454-I543 HydrophobicContact CD1-CG1 4.48Å; I454-I543 HydrophobicContact CG1-CD1 4.14Å; I454-I543 HydrophobicContact CG1-CG1 4.08Å
455	S	34	Very low	29.6	Very low	79 Å²	79	112.3 Å²	112.3	55%	0.552	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-69.2	-16.8	175.8	-35.6	0	0	0	0	114.8	H453 Q457	H453-S455 PolarHBondContact CE1-OG 3.04Å; H453-S455 PolarHBondContact ND1-OG 3.02Å; H453-S455 PolarHBondContact O-N 3.48Å; S455-Q457 PolarHBondContact O-N 3.01Å
456	D	37.2	Very low	29.6	Very low	107 Å²	107	113.8 Å²	113.8	57%	0.572	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-78	-2.9	-176.1	-61.6	-33	0	0	0	113	H453 I454	H453-D456 WeakPolarHBondContact CA-OD2 3.46Å; H453-D456 VanDerWaalsContact CB-OD2 3.26Å; H453-D456 WeakPolarHBondContact CB-OD2 3.3Å; H453-D456 PolarHBondContact N-OD2 3.37Å; H453-D456 WeakPolarHBondContact O-CB 3.46Å; H453-D456 PolarHBondContact O-N 3.46Å; I454-D456 VanDerWaalsContact C-N 3.29Å; I454-D456 PolarHBondContact O-N 3.47Å
457	Q	33.7	Very low	29.4	Very low	74 Å²	74	111.4 Å²	111.4	35%	0.346	61%	0.614	S	S	.	*	S	Bend	trans	-98.7	-24.4	-166.1	-80.1	-81	-45	0	0	115.6	S455 G459 F461	S455-Q457 PolarHBondContact O-N 3.01Å; Q457-G459 PolarHBondContact O-N 3.45Å; Q457-F461 VanDerWaalsContact NE2-CE2 3.25Å
458	L	29.6	Very low	29.7	Very low	173 Å²	173	113.1 Å²	113.1	91%	0.906	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-6.6	-164	-117.4	75.9	0	0	0	116.3
459	G	29.4	Very low	29.8	Very low	63 Å²	63	109.6 Å²	109.6	65%	0.649	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	-24.7	-172.6	0	0	0	0	0	117.2	Q457	Q457-G459 PolarHBondContact O-N 3.45Å
460	N	29.1	Very low	29.9	Very low	131 Å²	131	109.3 Å²	109.3	70%	0.701	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.2	-12	-164.7	-77.9	-51.7	0	0	0	116.2	T462 R463	N460-T462 PolarHBondContact O-N 3.29Å; N460-T462 VanDerWaalsContact O-N 3.14Å; N460-R463 PolarHBondContact O-N 2.89Å
461	F	28	Very low	29.8	Very low	136 Å²	136	106 Å²	106	60%	0.596	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	0.4	-168.8	-111.1	-103.1	0	0	0	116.2	Q457	Q457-F461 VanDerWaalsContact NE2-CE2 3.25Å
462	T	27.3	Very low	30	Very low	144 Å²	144	107.9 Å²	107.9	88%	0.883	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	1.6	174	50.7	0	0	0	0	114.2	N460	N460-T462 PolarHBondContact O-N 3.29Å; N460-T462 VanDerWaalsContact O-N 3.14Å
463	R	25.9	Very low	29.8	Very low	237 Å²	237	107 Å²	107	89%	0.894	61%	0.613	S	S	*	*	S	Bend	trans	-140.4	16.9	-175.1	-146.5	-178.7	178.4	-172.9	-1	116.2	N460	N460-R463 PolarHBondContact O-N 2.89Å
464	S	26.1	Very low	29.5	Very low	72 Å²	72	109.9 Å²	109.9	50%	0.503	64%	0.639	S	S	.	*			trans	-149.5	50.9	179	70.8	0	0	0	0	114.9
465	T	26.5	Very low	29.2	Very low	124 Å²	124	111.7 Å²	111.7	76%	0.761	66%	0.658	S	S	*	*			trans	-65	133	141.6	38.6	0	0	0	0	107.7	D467	T465-D467 PolarHBondContact O-N 3.41Å; T465-D467 VanDerWaalsContact O-N 3.14Å
466	P	26.9	Very low	28.9	Very low	106 Å²	106	113.4 Å²	113.4	69%	0.688	67%	0.67	S	S	*	*			trans	-65.2	112.2	156.3	28.5	-29.4	0	0	0	105.9	L468	P466-L468 HydrophobicContact CG-CD1 4.41Å; P466-L468 PolarHBondContact O-N 3.26Å
467	D	24.2	Very low	28.4	Very low	95 Å²	95	115.2 Å²	115.2	51%	0.508	69%	0.685	S	S	.	*			trans	-68.8	94.7	179.1	-173.1	-10.4	0	0	0	108.5	T465 S469 V470	T465-D467 PolarHBondContact O-N 3.41Å; T465-D467 VanDerWaalsContact O-N 3.14Å; D467-S469 VanDerWaalsContact CG-OG 3.24Å; D467-S469 PolarHBondContact O-N 3.17Å; D467-S469 WeakPolarHBondContact OD1-CB 3.35Å; D467-S469 PolarHBondContact OD1-N 3.1Å; D467-S469 PolarHBondContact OD1-OG 2.9Å; D467-S469 PolarHBondContact OD2-OG 3.44Å; D467-V470 HydrophobicContact CB-CG2 3.82Å; D467-V470 VanDerWaalsContact O-CB 3.32Å; D467-V470 WeakPolarHBondContact O-CB 3.34Å; D467-V470 WeakPolarHBondContact O-CG2 3.46Å; D467-V470 PolarHBondContact O-N 3.42Å
468	L	32.2	Very low	28.2	Very low	108 Å²	108	118 Å²	118	57%	0.565	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-62.8	-11	-174.6	-94.8	103.8	0	0	0	113.2	P466 V470 F559	P466-L468 HydrophobicContact CG-CD1 4.41Å; P466-L468 PolarHBondContact O-N 3.26Å; L468-V470 PolarHBondContact O-N 2.9Å; L468-F559 HydrophobicContact CD2-CE1 3.85Å; L468-F559 HydrophobicContact CD2-CE2 4.26Å; L468-F559 HydrophobicContact CD2-CZ 3.69Å
469	S	30.5	Very low	28	Very low	80 Å²	80	118.5 Å²	118.5	56%	0.559	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-67.4	-22.7	170.1	74.3	0	0	0	0	113.5	D467 V471	D467-S469 VanDerWaalsContact CG-OG 3.24Å; D467-S469 PolarHBondContact O-N 3.17Å; D467-S469 WeakPolarHBondContact OD1-CB 3.35Å; D467-S469 PolarHBondContact OD1-N 3.1Å; D467-S469 PolarHBondContact OD1-OG 2.9Å; D467-S469 PolarHBondContact OD2-OG 3.44Å; S469-V471 VanDerWaalsContact C-N 3.26Å; S469-V471 PolarHBondContact O-N 3.06Å
470	V	28.9	Very low	28	Very low	98 Å²	98	120.9 Å²	120.9	59%	0.594	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-73.8	-12.1	-170.7	176.2	0	0	0	0	113.5	D467 L468	D467-V470 HydrophobicContact CB-CG2 3.82Å; D467-V470 VanDerWaalsContact O-CB 3.32Å; D467-V470 WeakPolarHBondContact O-CB 3.34Å; D467-V470 WeakPolarHBondContact O-CG2 3.46Å; D467-V470 PolarHBondContact O-N 3.42Å; L468-V470 PolarHBondContact O-N 2.9Å
471	V	30.5	Very low	27.8	Very low	95 Å²	95	121.1 Å²	121.1	58%	0.576	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-84.1	-9.1	-173.6	-172.7	0	0	0	0	113.6	S469	S469-V471 VanDerWaalsContact C-N 3.26Å; S469-V471 PolarHBondContact O-N 3.06Å
472	V	31.5	Very low	27.9	Very low	115 Å²	115	122.5 Å²	122.5	70%	0.697	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-100.1	-10.2	-175.1	-175.3	0	0	0	0	113.5	S474	V472-S474 PolarHBondContact O-N 3.35Å
473	A	27.5	Very low	27.9	Very low	87 Å²	87	123.5 Å²	123.5	72%	0.719	73%	0.726	S	S	*	*	S	Bend	trans	-92.8	22.6	-164.8	0	0	0	0	0	116.8
474	S	25.4	Very low	27.9	Very low	106 Å²	106	117.6 Å²	117.6	74%	0.741	72%	0.721	S	S	*	*	S	Bend	trans	-146.3	64.9	-173.7	-68.2	0	0	0	0	115.6	V472	V472-S474 PolarHBondContact O-N 3.35Å
475	S	28	Very low	28.1	Very low	115 Å²	115	120.3 Å²	120.3	80%	0.804	74%	0.735	S	S	*	*			trans	-165.8	163.5	157.9	-93.2	0	0	0	0	114.3
476	S	29.3	Very low	28.1	Very low	115 Å²	115	124.5 Å²	124.5	80%	0.804	74%	0.743	S	S	*	*			trans	57	65.9	175.1	58.5	0	0	0	0	117.2	V478	S476-V478 PolarHBondContact O-N 3.42Å
477	T	25.7	Very low	28.2	Very low	145 Å²	145	126.8 Å²	126.8	89%	0.89	74%	0.744	S	S	*	*			trans	-78.5	98.8	148	47.3	0	0	0	0	109.9
478	V	30	Very low	28.3	Very low	134 Å²	134	127.5 Å²	127.5	81%	0.812	76%	0.756	S	S	*	*			trans	-132	127.2	160.4	-179.9	0	0	0	0	107.4	S476	S476-V478 PolarHBondContact O-N 3.42Å
479	Q	25.3	Very low	28.1	Very low	182 Å²	182	134.4 Å²	134.4	85%	0.85	78%	0.775	S	S	*	*			trans	-85.9	129.9	-172.4	-67.1	161.3	-97	0	0	111.8
480	S	29.2	Very low	28	Very low	113 Å²	113	140.3 Å²	140.3	79%	0.79	79%	0.791	S	S	*	*			trans	-155.5	122.2	146.9	63	0	0	0	0	108.6
481	D	24.9	Very low	27.8	Very low	137 Å²	137	143.7 Å²	143.7	73%	0.733	81%	0.805	S	S	*	*			trans	-75.8	144	-168.1	-53.6	-86.2	0	0	0	113.5
482	N	30.1	Very low	27.6	Very low	165 Å²	165	147.1 Å²	147.1	88%	0.882	82%	0.819	S	S	*	*			trans	-166.1	138.8	133.2	-104.2	-66	0	0	0	110.8
483	N	26.7	Very low	27.3	Very low	165 Å²	165	150.7 Å²	150.7	88%	0.882	83%	0.825	S	S	*	*			trans	-90.6	112.5	-168.3	-75	-56.3	0	0	0	113.4
484	S	27	Very low	27.3	Very low	112 Å²	112	154.2 Å²	154.2	78%	0.783	83%	0.832	S	S	*	*			trans	-166.9	159.5	142.7	-164.7	0	0	0	0	111.1
485	T	29.2	Very low	27.4	Very low	130 Å²	130	156.2 Å²	156.2	80%	0.798	84%	0.839	S	S	*	*			trans	72.4	74.1	176.6	-40.6	0	0	0	0	116.2
486	K	26.8	Very low	27.3	Very low	212 Å²	212	156 Å²	156	92%	0.922	84%	0.838	S	S	*	*			trans	-131.5	50.9	168.5	-107.7	-175.2	-178.4	175.3	0	113.5
487	Q	29.7	Very low	27	Very low	154 Å²	154	157.9 Å²	157.9	72%	0.72	84%	0.839	S	S	*	*			trans	-141.9	114.4	168.5	-67.5	-167.7	14.1	0	0	111.4
488	S	26.9	Very low	27.3	Very low	109 Å²	109	158 Å²	158	76%	0.762	84%	0.839	S	S	*	*	S	Bend	trans	179	-18.8	155.6	49.7	0	0	0	0	115.3
489	W	27.9	Very low	27.2	Very low	253 Å²	253	159.3 Å²	159.3	96%	0.958	84%	0.842	S	S	*	*			trans	-104.2	54.4	-177.2	-72.4	81.7	0	0	0	114.2
490	K	26.9	Very low	27.4	Very low	205 Å²	205	155.1 Å²	155.1	89%	0.891	84%	0.839	S	S	*	*			trans	-139.7	70.3	170.8	-87.2	-166.4	175	-177.1	0	111.9
491	L	26.2	Very low	27.4	Very low	168 Å²	168	155.5 Å²	155.5	88%	0.88	84%	0.841	S	S	*	*			trans	-147.1	160.4	162.1	-99.8	160.9	0	0	0	107.7
492	L	25.5	Very low	27.7	Very low	168 Å²	168	155 Å²	155	88%	0.88	85%	0.845	S	S	*	*	S	Bend	trans	68.2	35.9	-175.3	-57.8	174.6	0	0	0	117.1
493	K	26	Very low	27.9	Very low	190 Å²	190	154.3 Å²	154.3	83%	0.826	85%	0.847	S	S	*	*			trans	-128.4	146.9	138.5	-71.2	-172.2	178.6	175.9	0	108.6
494	N	26.9	Very low	28	Very low	161 Å²	161	155.9 Å²	155.9	86%	0.861	85%	0.846	S	S	*	*			trans	86.1	79.2	-174.6	-53.5	-2	0	0	0	116.7
495	V	27	Very low	28.4	Very low	147 Å²	147	156 Å²	156	89%	0.891	84%	0.844	S	S	*	*			trans	-132	82.6	146.1	-176.6	0	0	0	0	108
496	S	25.9	Very low	28.4	Very low	111 Å²	111	154.8 Å²	154.8	78%	0.776	84%	0.841	S	S	*	*	S	Bend	trans	-162.9	124.2	172.2	-72.8	0	0	0	0	109.3
497	N	24.2	Very low	28.7	Very low	155 Å²	155	150.3 Å²	150.3	83%	0.829	83%	0.831	S	S	*	*			trans	54.3	100.9	169.4	-61	-4.4	0	0	0	119
498	T	31.8	Very low	28.9	Very low	146 Å²	146	147.9 Å²	147.9	90%	0.896	83%	0.831	S	S	*	*			trans	-134.3	137.4	138.9	47.1	0	0	0	0	109.6
499	N	26.5	Very low	29.1	Very low	162 Å²	162	147.2 Å²	147.2	87%	0.866	83%	0.832	S	S	*	*			trans	-87	151.3	-177	-54.8	-48.3	0	0	0	111.7
500	A	29.4	Very low	29.5	Very low	95 Å²	95	140.5 Å²	140.5	79%	0.785	82%	0.815	S	S	*	*			trans	-178.1	129.2	132.4	0	0	0	0	0	114.1
501	S	29.7	Very low	29.8	Very low	120 Å²	120	140.3 Å²	140.3	84%	0.839	81%	0.808	S	S	*	*			trans	127	109.4	147.7	-58.2	0	0	0	0	114.9
502	P	31.9	Very low	30.1	Very low	126 Å²	126	138.7 Å²	138.7	82%	0.818	80%	0.801	S	S	*	*			trans	-113.1	145.8	178.3	38.1	-28.9	0	0	0	114.5
503	V	33.5	Very low	30.5	Very low	151 Å²	151	137.4 Å²	137.4	92%	0.915	80%	0.795	S	S	*	*			trans	-138.2	144.5	159.6	-176	0	0	0	0	109.1
504	K	29.5	Very low	30.6	Very low	198 Å²	198	135.8 Å²	135.8	86%	0.861	80%	0.795	S	S	*	*			trans	-125.2	-177.5	-175.3	-101	-174.8	176.5	-178	0	109.5
505	P	34.8	Very low	30.9	Very low	114 Å²	114	136.1 Å²	136.1	74%	0.74	80%	0.795	S	S	*	*			cis	-118.1	-156.8	-0.8	43.1	-27.1	0	0	0	110.9
506	S	29.2	Very low	30.9	Very low	106 Å²	106	137.2 Å²	137.2	74%	0.741	79%	0.791	S	S	*	*			cis	-154.9	-153.9	-9.1	20.1	0	0	0	0	106.3
507	V	34.2	Very low	31.3	Very low	118 Å²	118	140.2 Å²	140.2	72%	0.715	80%	0.797	S	S	*	*			cis	-152.5	151.6	5.8	-169.1	0	0	0	0	107.8
508	S	32.5	Very low	31.5	Very low	103 Å²	103	140.5 Å²	140.5	72%	0.72	80%	0.798	S	S	*	*			trans	53	123.9	165.6	48.5	0	0	0	0	118.8
509	A	32.4	Very low	31.6	Very low	94 Å²	94	137.4 Å²	137.4	78%	0.777	80%	0.796	S	S	*	*				72.8	141	57.3	0	0	0	0	0	113.1
510	D	34.5	Very low	31.5	Very low	112 Å²	112	141.2 Å²	141.2	60%	0.599	80%	0.798	S	S	*	*			cis	-159.2	164.6	23.7	-154.4	-4.2	0	0	0	113.9
511	R	34.1	Very low	31.5	Very low	201 Å²	201	142.5 Å²	142.5	76%	0.758	80%	0.796	S	S	*	*			trans	63.6	131.4	161	-75	157.4	-138.4	-153	6.3	120.2
512	N	32.4	Very low	31.7	Very low	135 Å²	135	146 Å²	146	72%	0.722	80%	0.796	S	S	*	*				87.7	144.7	56.9	-81.3	49	0	0	0	113.1
513	D	34.9	Very low	31.5	Very low	141 Å²	141	150.2 Å²	150.2	75%	0.754	80%	0.802	S	S	*	*			cis	-140.4	174.3	16	-91.6	-51.9	0	0	0	114.3
514	N	27.1	Very low	31.4	Very low	155 Å²	155	151.8 Å²	151.8	83%	0.829	80%	0.799	S	S	*	*			trans	-111	142.6	174	-64.9	-88.6	0	0	0	112.5
515	I	33.4	Very low	31.4	Very low	168 Å²	168	151.9 Å²	151.9	86%	0.862	80%	0.799	S	S	*	*			trans	-137.2	128.3	154.5	-62.9	-175	0	0	0	110.3
516	Q	27.8	Very low	31.1	Very low	171 Å²	171	156.2 Å²	156.2	80%	0.799	81%	0.807	S	S	*	*			trans	-100	154.9	165	-62.6	178.9	-1.1	0	0	109.9
517	L	34.4	Very low	31	Very low	174 Å²	174	154.5 Å²	154.5	91%	0.911	81%	0.805	S	S	*	*			trans	-157.2	144.5	146.5	-111.9	170.1	0	0	0	111
518	N	27.2	Very low	30.8	Very low	160 Å²	160	158 Å²	158	86%	0.856	82%	0.819	S	S	*	*			trans	-94.1	137.3	-172.7	-82.7	-53	0	0	0	112.9
519	G	33.8	Very low	30.8	Very low	82 Å²	82	158 Å²	158	85%	0.845	82%	0.819	S	S	*	*			trans	-126.7	137.6	166.3	0	0	0	0	0	110.6
520	R	25.9	Very low	30.7	Very low	241 Å²	241	164.7 Å²	164.7	91%	0.909	82%	0.824	S	S	*	*			trans	-116.9	152.6	-165	-158.3	-172.9	-179.5	176.6	0.3	112.3
521	V	28.2	Very low	30.6	Very low	122 Å²	122	170.4 Å²	170.4	74%	0.739	84%	0.838	S	S	*	*			trans	76.8	103.2	165.1	-163.2	0	0	0	0	117.5
522	K	33.6	Very low	30.6	Very low	194 Å²	194	168.8 Å²	168.8	84%	0.843	84%	0.838	S	S	*	*				-165.9	151.8	112.4	-100.9	168.5	-172.3	178.7	0	110.4
523	K	28.6	Very low	30.6	Very low	215 Å²	215	168.3 Å²	168.3	94%	0.935	85%	0.845	S	S	*	*			trans	-93.3	108.5	174.7	-82.5	-179.2	174.6	175.7	0	109.2
524	E	32	Very low	30.5	Very low	184 Å²	184	166.7 Å²	166.7	86%	0.86	84%	0.841	S	S	*	*			trans	-129	155.4	163.9	-69	-166.3	157.4	0	0	110.9
525	K	29.4	Very low	31	Very low	199 Å²	199	166.1 Å²	166.1	87%	0.865	84%	0.836	S	S	*	*			trans	-130.2	57.5	-153.8	-167.9	-165.4	176.6	-175.6	0	111.8
526	F	27	Very low	30.9	Very low	206 Å²	206	164.7 Å²	164.7	90%	0.904	83%	0.831	S	S	*	*			trans	-137.7	136.5	-175.6	-85	-76	0	0	0	115.6
527	G	28.5	Very low	31.4	Very low	69 Å²	69	162.4 Å²	162.4	71%	0.711	83%	0.834	S	S	*	*			trans	45.3	98.2	144.1	0	0	0	0	0	119.9	S529	G527-S529 VanDerWaalsContact C-N 3.34Å; G527-S529 PolarHBondContact O-N 2.83Å
528	L	29	Very low	31.9	Very low	191 Å²	191	159.4 Å²	159.4	100%	1	82%	0.822	S	S	*	*			trans	-68.9	92	155.2	-76.2	173.4	0	0	0	109.8	R530	L528-R530 PolarHBondContact O-N 3.01Å
529	S	31.9	Very low	33.2	Very low	104 Å²	104	157.1 Å²	157.1	73%	0.727	81%	0.81	S	S	*	*			trans	-83.8	112.1	178.8	-164.1	0	0	0	0	112.1	G527	G527-S529 VanDerWaalsContact C-N 3.34Å; G527-S529 PolarHBondContact O-N 2.83Å
530	R	31	Very low	34.7	Very low	234 Å²	234	157.1 Å²	157.1	88%	0.883	79%	0.791	S	S	*	*			trans	24.3	108.9	133.6	-167.5	-173.1	-55.4	-144	0.9	116.3	L528	L528-R530 PolarHBondContact O-N 3.01Å
531	R	33.7	Very low	37.1	Very low	233 Å²	233	151.5 Å²	151.5	88%	0.879	77%	0.773	S	S	*	*			trans	-112.4	116.6	160.9	-79.2	-169.1	173.1	-164.7	-1.8	111.5
532	H	33	Very low	39.8	Very low	166 Å²	166	146.5 Å²	146.5	77%	0.769	74%	0.742	S	S	*	*			trans	21.2	110.9	152.1	-52.4	-86.3	0	0	0	119.7
533	S	33.2	Very low	42.3	Very low	125 Å²	125	139.7 Å²	139.7	87%	0.874	71%	0.714	S	S	*	*				-120.7	135.2	128.3	57.6	0	0	0	0	107.7
534	T	32.8	Very low	45.2	Very low	107 Å²	107	130 Å²	130	66%	0.656	67%	0.673	S	S	*	*			trans	-112.1	165	-173.7	48.2	0	0	0	0	111.3
535	I	36.3	Very low	48	Very low	143 Å²	143	123.9 Å²	123.9	73%	0.733	65%	0.646	S	S	*	*			trans	86.9	88.4	165.8	-57.8	152.9	0	0	0	115.5
536	D	32.8	Very low	50.8	Low	139 Å²	139	117.2 Å²	117.2	74%	0.743	62%	0.619	S	S	*	*				79.4	106.7	125.4	-53.7	-8.6	0	0	0	123.7
537	S	37.9	Very low	53.9	Low	123 Å²	123	107.4 Å²	107.4	86%	0.86	58%	0.577	S	S	*	*	S	Bend		77.2	37	127.8	-147.8	0	0	0	0	120.9
538	T	45.3	Very low	56.8	Low	110 Å²	110	107.3 Å²	107.3	68%	0.675	56%	0.557	S	S	*	*			trans	-135.4	-2.3	164.8	56.4	0	0	0	0	116.7	D540	T538-D540 PolarHBondContact O-N 3.47Å
539	D	54	Low	59.8	Low	112 Å²	112	105.2 Å²	105.2	60%	0.599	54%	0.536	S	S	*	.			trans	-86	9.9	-156.8	-96.1	-13.7	0	0	0	118	K541	D539-K541 PolarHBondContact O-N 3.44Å
540	D	64.4	Low	62.7	Low	83 Å²	83	105.5 Å²	105.5	44%	0.444	52%	0.521	S	S	.	.			trans	-80	26.7	-176.5	-150.5	55.3	0	0	0	114.5	S383 R384 T538	S383-D540 CarbonylContact C-O 3.58Å; S383-D540 VanDerWaalsContact CA-O 3.32Å; S383-D540 WeakPolarHBondContact CA-O 3.39Å; R384-D540 WeakPolarHBondContact CB-OD1 3.44Å; R384-D540 PolarHBondContact N-O 2.96Å; R384-D540 PolarHBondContact N-OD2 2.87Å; T538-D540 PolarHBondContact O-N 3.47Å
541	K	76.6	Confident	65.7	Low	122 Å²	122	94.7 Å²	94.7	53%	0.53	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	116.3	-172.3	-68.1	174	-174.8	167.4	0	112.2	Y381 D539	Y381-K541 HydrophobicContact CD1-CB 4.48Å; D539-K541 PolarHBondContact O-N 3.44Å
542	L	84.7	Confident	68.6	Low	18 Å²	18	90.6 Å²	90.6	9%	0.094	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	147.6	171.9	-59	179.1	0	0	0	111	Y381 I382 R384 L451	Y381-L542 CarbonylContact C-O 3.54Å; Y381-L542 WeakPolarHBondContact CA-O 3.29Å; I382-L542 PolarHBondContact N-O 3.41Å; I382-L542 PolarHBondContact O-N 3.17Å; R384-L542 HydrophobicContact CB-CG 4.47Å; R384-L542 HydrophobicContact CG-CD1 4.2Å; R384-L542 HydrophobicContact CG-CG 4.42Å; L451-L542 HydrophobicContact CD1-CD1 4.06Å; L451-L542 HydrophobicContact CD2-CD1 4.44Å
543	I	87.6	Confident	71.4	Confident	50 Å²	50	89.6 Å²	89.6	26%	0.256	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	135	175.3	-63.3	173.5	0	0	0	110.6	Y381 I454 L545	Y381-I543 HydrophobicContact CD1-CG1 4.25Å; Y381-I543 HydrophobicContact CE1-CG1 3.97Å; I454-I543 HydrophobicContact CD1-CG1 4.48Å; I454-I543 HydrophobicContact CG1-CD1 4.14Å; I454-I543 HydrophobicContact CG1-CG1 4.08Å; I543-L545 HydrophobicContact CG2-CD2 4.18Å; I543-L545 PolarHBondContact O-N 3.33Å
544	N	89.1	Confident	74.4	Confident	11 Å²	11	84.9 Å²	84.9	6%	0.059	43%	0.428	C	S	.	.			trans	-77.5	80.3	176.4	-170.2	-10.3	0	0	0	111.9	P379 D380 I382 D546 K547 H548	P379-N544 WeakPolarHBondContact O-CB 3.43Å; P379-N544 PolarHBondContact O-ND2 3.42Å; D380-N544 WeakPolarHBondContact O-CB 3.31Å; D380-N544 PolarHBondContact O-N 3.1Å; I382-N544 HydrophobicContact CD1-CB 4.12Å; I382-N544 HydrophobicContact CG1-CB 4.01Å; N544-D546 PolarHBondContact O-N 3.36Å; N544-D546 VanDerWaalsContact O-N 3.16Å; N544-D546 PolarHBondContact OD1-N 3.26Å; N544-K547 HydrophobicContact CB-CB 4.07Å; N544-K547 WeakPolarHBondContact O-CB 3.12Å; N544-K547 PolarHBondContact O-N 3.25Å; N544-K547 PolarHBondContact OD1-N 3.29Å; N544-H548 PolarHBondContact O-N 3.23Å
545	L	90.2	Very high	77.3	Confident	56 Å²	56	80.9 Å²	80.9	29%	0.293	40%	0.402	S	S	.	.	H	α-helix	trans	-58.2	-28	178.5	-63.1	179.9	0	0	0	113.1	K450 L451 I543 H548 R549	K450-L545 WeakPolarHBondContact O-CD1 3.39Å; L451-L545 HydrophobicContact CD2-CD1 4.5Å; I543-L545 HydrophobicContact CG2-CD2 4.18Å; I543-L545 PolarHBondContact O-N 3.33Å; L545-H548 PolarHBondContact O-N 3.18Å; L545-R549 WeakPolarHBondContact O-CB 3.47Å; L545-R549 WeakPolarHBondContact O-CD 3.16Å; L545-R549 WeakPolarHBondContact O-CG 3.35Å; L545-R549 PolarHBondContact O-N 2.83Å
546	D	88.5	Confident	80.1	Confident	59 Å²	59	75.4 Å²	75.4	32%	0.316	38%	0.378	S	S	.	.	H	α-helix	trans	-82.1	-15.5	178.6	-65	-44.4	0	0	0	113.6	N544 R549 R550	N544-D546 PolarHBondContact O-N 3.36Å; N544-D546 VanDerWaalsContact O-N 3.16Å; N544-D546 PolarHBondContact OD1-N 3.26Å; D546-R549 WeakPolarHBondContact OD1-CD 3.19Å; D546-R549 IonicContact OD1-NH1 3.22Å; D546-R549 PolarHBondContact OD1-NH1 3.38Å; D546-R550 PolarHBondContact O-NE 2.96Å; D546-R550 PolarHBondContact O-NH2 3.08Å
547	K	91.3	Very high	83	Confident	1 Å²	1	70.4 Å²	70.4	0%	0.004	35%	0.352	C	S	.	.	H	α-helix	trans	-70.6	-55.9	159.7	-175.1	-178.9	-171.8	168.2	0	109.7	L374 H375 S378 D380 N544 R549 R550 E551	L374-K547 HydrophobicContact CD1-CG 4.37Å; L374-K547 HydrophobicContact CG-CG 4.38Å; L374-K547 WeakPolarHBondContact O-CE 3.42Å; H375-K547 PolarHBondContact O-NZ 3.01Å; S378-K547 WeakPolarHBondContact O-CD 3.34Å; S378-K547 VanDerWaalsContact O-CE 3.26Å; S378-K547 WeakPolarHBondContact O-CE 3.43Å; S378-K547 PolarHBondContact O-NZ 2.93Å; D380-K547 WeakPolarHBondContact OD1-CD 3.49Å; D380-K547 VanDerWaalsContact OD1-CE 3.29Å; D380-K547 WeakPolarHBondContact OD1-CE 3.34Å; D380-K547 IonicContact OD1-NZ 2.68Å; D380-K547 PolarHBondContact OD1-NZ 2.96Å; N544-K547 HydrophobicContact CB-CB 4.07Å; N544-K547 WeakPolarHBondContact O-CB 3.12Å; N544-K547 PolarHBondContact O-N 3.25Å; N544-K547 PolarHBondContact OD1-N 3.29Å; K547-R549 VanDerWaalsContact C-N 3.28Å; K547-R549 PolarHBondContact O-N 3.41Å; K547-R550 WeakPolarHBondContact O-CA 3.29Å; K547-R550 PolarHBondContact O-N 3.38Å; K547-E551 HydrophobicContact CG-CG 4.38Å; K547-E551 PolarHBondContact O-N 2.87Å
548	H	90.1	Very high	85.7	Confident	67 Å²	67	64.5 Å²	64.5	31%	0.31	31%	0.311	S	S	.	.	H	α-helix	trans	-62	-31.9	-176.7	-63.5	-44.4	0	0	0	113.5	N544 L545 R550 E551 F552	N544-H548 PolarHBondContact O-N 3.23Å; L545-H548 PolarHBondContact O-N 3.18Å; H548-R550 VanDerWaalsContact C-N 3.35Å; H548-R550 PolarHBondContact O-N 3.45Å; H548-E551 IonicContact CE1-OE2 2.74Å; H548-E551 IonicContact CG-OE2 3.4Å; H548-E551 IonicContact ND1-OE2 3.79Å; H548-E551 PolarHBondContact ND1-OE2 3.42Å; H548-E551 PolarHBondContact O-N 2.96Å; H548-F552 WeakPolarHBondContact O-CB 3.35Å; H548-F552 PolarHBondContact O-N 3.36Å
549	R	91	Very high	88.1	Confident	146 Å²	146	61.9 Å²	61.9	55%	0.551	29%	0.29	S	S	*	.	H	α-helix	trans	-63.5	-36.3	171.4	-78.6	164.4	167.3	-158.6	-8.7	113.2	L545 D546 K547 K553	L545-R549 WeakPolarHBondContact O-CB 3.47Å; L545-R549 WeakPolarHBondContact O-CD 3.16Å; L545-R549 WeakPolarHBondContact O-CG 3.35Å; L545-R549 PolarHBondContact O-N 2.83Å; D546-R549 WeakPolarHBondContact OD1-CD 3.19Å; D546-R549 IonicContact OD1-NH1 3.22Å; D546-R549 PolarHBondContact OD1-NH1 3.38Å; K547-R549 VanDerWaalsContact C-N 3.28Å; K547-R549 PolarHBondContact O-N 3.41Å; R549-K553 PolarHBondContact O-N 2.79Å; R549-K553 VanDerWaalsContact O-N 3.11Å
550	R	93.9	Very high	90	Very high	110 Å²	110	57.5 Å²	57.5	42%	0.415	27%	0.266	S	S	.	.	H	α-helix	trans	-76.7	-40.1	176	-73.1	179.1	-72	153	3.8	111.5	L374 S378 D546 K547 H548 K553 I554	L374-R550 HydrophobicContact CD1-CB 4Å; L374-R550 VanDerWaalsContact CD1-CZ 3.42Å; L374-R550 HydrophobicContact CD2-CB 3.53Å; L374-R550 HydrophobicContact CG-CB 4.45Å; S378-R550 PolarHBondContact OG-NH2 2.83Å; D546-R550 PolarHBondContact O-NE 2.96Å; D546-R550 PolarHBondContact O-NH2 3.08Å; K547-R550 WeakPolarHBondContact O-CA 3.29Å; K547-R550 PolarHBondContact O-N 3.38Å; H548-R550 VanDerWaalsContact C-N 3.35Å; H548-R550 PolarHBondContact O-N 3.45Å; R550-K553 PolarHBondContact O-N 2.77Å; R550-I554 PolarHBondContact O-N 3.35Å
551	E	93.3	Very high	91.4	Very high	7 Å²	7	53.6 Å²	53.6	3%	0.033	25%	0.245	C	C	.	.	H	α-helix	trans	-57.6	-50.6	171.6	-71	179.8	148.5	0	0	109.9	L137 R141 L371 L374 K547 H548 K553 I554 L555	L137-E551 HydrophobicContact CD2-CB 4.07Å; L137-E551 HydrophobicContact CD2-CG 4.05Å; R141-E551 IonicContact CZ-OE1 3.94Å; R141-E551 IonicContact NH2-OE1 2.91Å; R141-E551 PolarHBondContact NH2-OE1 2.61Å; R141-E551 IonicContact NH2-OE2 3.62Å; R141-E551 PolarHBondContact NH2-OE2 2.97Å; L371-E551 HydrophobicContact CD2-CB 4.4Å; L371-E551 HydrophobicContact CD2-CG 4.48Å; L374-E551 HydrophobicContact CD2-CB 4.23Å; L374-E551 HydrophobicContact CD2-CG 3.61Å; L374-E551 VanDerWaalsContact CD2-N 3.28Å; L374-E551 HydrophobicContact CG-CG 4.27Å; K547-E551 HydrophobicContact CG-CG 4.38Å; K547-E551 PolarHBondContact O-N 2.87Å; H548-E551 IonicContact CE1-OE2 2.74Å; H548-E551 IonicContact CG-OE2 3.4Å; H548-E551 IonicContact ND1-OE2 3.79Å; H548-E551 PolarHBondContact ND1-OE2 3.42Å; H548-E551 PolarHBondContact O-N 2.96Å; E551-K553 VanDerWaalsContact C-N 3.35Å; E551-K553 PolarHBondContact O-N 2.76Å; E551-I554 PolarHBondContact O-N 3.16Å; E551-I554 VanDerWaalsContact O-N 3.13Å; E551-L555 PolarHBondContact O-N 3.15Å
552	F	94.3	Very high	92.3	Very high	147 Å²	147	48.5 Å²	48.5	65%	0.645	22%	0.224	S	C	*	.	H	α-helix	trans	-59.4	-39.4	178	178.4	-96.9	0	0	0	113	H548 I554 L555 A556	H548-F552 WeakPolarHBondContact O-CB 3.35Å; H548-F552 PolarHBondContact O-N 3.36Å; F552-I554 VanDerWaalsContact C-N 3.29Å; F552-I554 PolarHBondContact O-N 2.77Å; F552-L555 PolarHBondContact O-N 3.32Å; F552-A556 HydrophobicContact CE1-CB 4.38Å; F552-A556 VanDerWaalsContact O-CB 3.26Å; F552-A556 WeakPolarHBondContact O-CB 3.45Å; F552-A556 PolarHBondContact O-N 3.28Å
553	K	93.3	Very high	92.7	Very high	145 Å²	145	48.8 Å²	48.8	63%	0.63	22%	0.224	S	C	*	.	H	α-helix	trans	-60	-40.6	176.1	-172.6	-174.8	175.6	-169.9	0	111.7	R549 R550 E551 N557	R549-K553 PolarHBondContact O-N 2.79Å; R549-K553 VanDerWaalsContact O-N 3.11Å; R550-K553 PolarHBondContact O-N 2.77Å; E551-K553 VanDerWaalsContact C-N 3.35Å; E551-K553 PolarHBondContact O-N 2.76Å; K553-N557 PolarHBondContact O-N 2.69Å
554	I	94.2	Very high	92.9	Very high	26 Å²	26	46.6 Å²	46.6	13%	0.133	21%	0.213	C	C	.	.	H	α-helix	trans	-68.2	-47.3	178.1	-64	158.5	0	0	0	110.1	F367 D370 L371 L374 R550 E551 F552 A556 N557 I558	F367-I554 HydrophobicContact CB-CG2 3.92Å; F367-I554 HydrophobicContact CD1-CG2 4Å; F367-I554 HydrophobicContact CG-CG2 4.35Å; D370-I554 HydrophobicContact CB-CD1 3.76Å; D370-I554 HydrophobicContact CB-CG1 4.44Å; L371-I554 HydrophobicContact CD1-CG2 4.29Å; L371-I554 HydrophobicContact CD2-CB 3.91Å; L371-I554 HydrophobicContact CD2-CD1 3.79Å; L371-I554 HydrophobicContact CD2-CG1 4.48Å; L371-I554 HydrophobicContact CD2-CG2 3.92Å; L371-I554 HydrophobicContact CG-CB 4.38Å; L371-I554 HydrophobicContact CG-CD1 4.3Å; L371-I554 HydrophobicContact CG-CG2 3.84Å; L374-I554 HydrophobicContact CD2-CD1 4.2Å; R550-I554 PolarHBondContact O-N 3.35Å; E551-I554 PolarHBondContact O-N 3.16Å; E551-I554 VanDerWaalsContact O-N 3.13Å; F552-I554 VanDerWaalsContact C-N 3.29Å; F552-I554 PolarHBondContact O-N 2.77Å; I554-A556 VanDerWaalsContact C-N 3.32Å; I554-A556 PolarHBondContact O-N 3Å; I554-N557 WeakPolarHBondContact O-CB 3.29Å; I554-N557 PolarHBondContact O-N 2.91Å; I554-N557 VanDerWaalsContact O-N 3.16Å; I554-I558 PolarHBondContact O-N 3.36Å; I554-I558 VanDerWaalsContact O-N 3.08Å
555	L	95.7	Very high	93.1	Very high	23 Å²	23	46.1 Å²	46.1	12%	0.12	21%	0.21	C	C	.	.	H	α-helix	trans	-62.1	-36.6	177	-62.8	-174.3	0	0	0	113	L133 C136 L137 L371 E551 F552 N557 I558 F559	L133-L555 HydrophobicContact CB-CD2 4.46Å; L133-L555 VanDerWaalsContact O-CD2 3.26Å; L133-L555 WeakPolarHBondContact O-CD2 3.2Å; C136-L555 HydrophobicContact CB-CD2 3.98Å; L137-L555 HydrophobicContact CD1-CD1 3.83Å; L137-L555 HydrophobicContact CD2-CD1 4.47Å; L137-L555 HydrophobicContact CG-CD1 3.99Å; L371-L555 HydrophobicContact CD1-CD2 4.02Å; E551-L555 PolarHBondContact O-N 3.15Å; F552-L555 PolarHBondContact O-N 3.32Å; L555-N557 VanDerWaalsContact C-N 3.34Å; L555-I558 HydrophobicContact CD2-CD1 4.16Å; L555-I558 PolarHBondContact O-N 3.08Å; L555-F559 PolarHBondContact O-N 2.98Å
556	A	93.1	Very high	93.2	Very high	28 Å²	28	48 Å²	48	23%	0.231	22%	0.218	C	C	.	.	H	α-helix	trans	-65	-36.7	175.4	0	0	0	0	0	112	F552 I554 F559 L560	F552-A556 HydrophobicContact CE1-CB 4.38Å; F552-A556 VanDerWaalsContact O-CB 3.26Å; F552-A556 WeakPolarHBondContact O-CB 3.45Å; F552-A556 PolarHBondContact O-N 3.28Å; I554-A556 VanDerWaalsContact C-N 3.32Å; I554-A556 PolarHBondContact O-N 3Å; A556-F559 PolarHBondContact O-N 3.46Å; A556-L560 WeakPolarHBondContact O-CB 3.44Å; A556-L560 VanDerWaalsContact O-CG 3.26Å; A556-L560 WeakPolarHBondContact O-CG 3.02Å; A556-L560 PolarHBondContact O-N 3.25Å
557	N	93.8	Very high	93.3	Very high	34 Å²	34	48.7 Å²	48.7	18%	0.182	22%	0.218	C	C	.	.	H	α-helix	trans	-65.1	-41.3	171.4	-84.3	20.9	0	0	0	111.7	D303 F367 K553 I554 L555 L560 L561	D303-N557 PolarHBondContact OD1-ND2 3.28Å; D303-N557 VanDerWaalsContact OD1-ND2 3.11Å; F367-N557 HydrophobicContact CE1-CB 4.36Å; K553-N557 PolarHBondContact O-N 2.69Å; I554-N557 WeakPolarHBondContact O-CB 3.29Å; I554-N557 PolarHBondContact O-N 2.91Å; I554-N557 VanDerWaalsContact O-N 3.16Å; L555-N557 VanDerWaalsContact C-N 3.34Å; N557-L560 PolarHBondContact O-N 2.75Å; N557-L561 WeakPolarHBondContact O-CG 3.28Å; N557-L561 PolarHBondContact O-N 2.78Å; N557-L561 VanDerWaalsContact O-N 3.11Å
558	I	95.9	Very high	93.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.4	-47.2	174.3	-59.6	172.8	0	0	0	110.5	F128 M131 L133 F367 I554 L555 L560 L561 Q562	F128-I558 HydrophobicContact CE2-CG2 3.98Å; F128-I558 HydrophobicContact CZ-CG2 4.25Å; M131-I558 HydrophobicContact CE-CG2 3.55Å; L133-I558 HydrophobicContact CD2-CB 3.77Å; L133-I558 HydrophobicContact CD2-CG2 3.49Å; L133-I558 VanDerWaalsContact CD2-CG2 3.49Å; F367-I558 HydrophobicContact CB-CD1 3.83Å; F367-I558 HydrophobicContact CB-CG1 4.09Å; F367-I558 HydrophobicContact CD1-CG1 4.38Å; F367-I558 HydrophobicContact CD2-CD1 4.32Å; F367-I558 HydrophobicContact CD2-CG1 3.76Å; F367-I558 HydrophobicContact CE2-CG1 4.25Å; F367-I558 HydrophobicContact CG-CD1 4.14Å; F367-I558 HydrophobicContact CG-CG1 3.82Å; I554-I558 PolarHBondContact O-N 3.36Å; I554-I558 VanDerWaalsContact O-N 3.08Å; L555-I558 HydrophobicContact CD2-CD1 4.16Å; L555-I558 PolarHBondContact O-N 3.08Å; I558-L560 PolarHBondContact O-N 3.22Å; I558-L561 CarbonylContact O-C 3.59Å; I558-L561 WeakPolarHBondContact O-CA 3.24Å; I558-L561 WeakPolarHBondContact O-CB 3.39Å; I558-L561 PolarHBondContact O-N 2.88Å; I558-Q562 HydrophobicContact CG2-CG 4.49Å; I558-Q562 PolarHBondContact O-N 3.37Å
559	F	95.3	Very high	93.1	Very high	55 Å²	55	52.5 Å²	52.5	24%	0.241	25%	0.249	C	C	.	.	H	α-helix	trans	-57.2	-45.5	176.9	177.6	-106.9	0	0	0	112.4	L133 L468 L555 A556 L561 Q562 Q563	L133-F559 HydrophobicContact CD1-CB 3.88Å; L133-F559 HydrophobicContact CD1-CD2 4.14Å; L133-F559 HydrophobicContact CD1-CG 4.4Å; L468-F559 HydrophobicContact CD2-CE1 3.85Å; L468-F559 HydrophobicContact CD2-CE2 4.26Å; L468-F559 HydrophobicContact CD2-CZ 3.69Å; L555-F559 PolarHBondContact O-N 2.98Å; A556-F559 PolarHBondContact O-N 3.46Å; F559-L561 PolarHBondContact O-N 3.38Å; F559-Q562 PolarHBondContact O-N 3.03Å; F559-Q562 VanDerWaalsContact O-N 3.17Å; F559-Q563 HydrophobicContact CD1-CG 4.48Å; F559-Q563 HydrophobicContact CE1-CG 4.04Å; F559-Q563 HydrophobicContact CE2-CG 4.29Å; F559-Q563 HydrophobicContact CZ-CG 3.93Å; F559-Q563 WeakPolarHBondContact O-CG 3.41Å; F559-Q563 PolarHBondContact O-N 3.21Å
560	L	93.4	Very high	93	Very high	19 Å²	19	47.7 Å²	47.7	10%	0.099	23%	0.234	C	C	.	.	H	α-helix	trans	-62.1	-29.8	175.6	-71.6	168.1	0	0	0	112.3	A306 M309 L313 A556 N557 I558 N564	A306-L560 HydrophobicContact CB-CB 4.01Å; A306-L560 HydrophobicContact CB-CD1 4.3Å; M309-L560 HydrophobicContact CB-CD2 4.4Å; M309-L560 HydrophobicContact CG-CD2 4.1Å; M309-L560 WeakPolarHBondContact CG-O 3.24Å; L313-L560 HydrophobicContact CD1-CD2 3.85Å; A556-L560 WeakPolarHBondContact O-CB 3.44Å; A556-L560 VanDerWaalsContact O-CG 3.26Å; A556-L560 WeakPolarHBondContact O-CG 3.02Å; A556-L560 PolarHBondContact O-N 3.25Å; N557-L560 PolarHBondContact O-N 2.75Å; I558-L560 PolarHBondContact O-N 3.22Å; L560-N564 PolarHBondContact O-N 2.8Å; L560-N564 PolarHBondContact O-ND2 3.04Å
561	L	95	Very high	92.7	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-78.6	-36.2	173.5	-67.1	170.8	0	0	0	112.3	F128 L302 C305 A306 V360 P362 F367 N557 I558 F559 Q563 N564 A565	F128-L561 HydrophobicContact CE1-CB 4.09Å; F128-L561 HydrophobicContact CZ-CB 3.84Å; L302-L561 HydrophobicContact CB-CD1 4.33Å; L302-L561 HydrophobicContact CD2-CD1 4.34Å; C305-L561 HydrophobicContact CB-CD2 3.71Å; A306-L561 HydrophobicContact CB-CD2 4.47Å; A306-L561 HydrophobicContact CB-CG 4.47Å; V360-L561 HydrophobicContact CB-CD2 4.43Å; V360-L561 HydrophobicContact CG1-CD2 4.13Å; P362-L561 HydrophobicContact CB-CD1 4.07Å; P362-L561 HydrophobicContact CG-CD1 4.08Å; F367-L561 HydrophobicContact CE2-CD1 3.76Å; F367-L561 HydrophobicContact CZ-CD1 3.64Å; N557-L561 WeakPolarHBondContact O-CG 3.28Å; N557-L561 PolarHBondContact O-N 2.78Å; N557-L561 VanDerWaalsContact O-N 3.11Å; I558-L561 CarbonylContact O-C 3.59Å; I558-L561 WeakPolarHBondContact O-CA 3.24Å; I558-L561 WeakPolarHBondContact O-CB 3.39Å; I558-L561 PolarHBondContact O-N 2.88Å; F559-L561 PolarHBondContact O-N 3.38Å; L561-Q563 VanDerWaalsContact C-N 3.27Å; L561-Q563 PolarHBondContact O-N 3.18Å; L561-N564 WeakPolarHBondContact O-CA 3.42Å; L561-N564 WeakPolarHBondContact O-CB 3.41Å; L561-N564 PolarHBondContact O-N 3.15Å; L561-A565 PolarHBondContact O-N 3.47Å
562	Q	95.7	Very high	92.4	Very high	16 Å²	16	55.2 Å²	55.2	8%	0.075	27%	0.273	C	S	.	.	H	α-helix	trans	-59.6	-40.7	169.4	-69.6	179.1	-52.6	0	0	110.8	F128 L129 M131 I558 F559 N564 A565 Q566	F128-Q562 HydrophobicContact CD1-CG 4.29Å; F128-Q562 HydrophobicContact CE1-CB 4.38Å; F128-Q562 HydrophobicContact CE1-CG 3.82Å; F128-Q562 HydrophobicContact CE2-CG 4.11Å; F128-Q562 HydrophobicContact CZ-CG 3.69Å; F128-Q562 PolarHBondContact O-NE2 3.44Å; L129-Q562 HydrophobicContact CD2-CB 4.33Å; L129-Q562 WeakPolarHBondContact CD2-O 3.3Å; M131-Q562 PolarHBondContact O-NE2 3.26Å; I558-Q562 HydrophobicContact CG2-CG 4.49Å; I558-Q562 PolarHBondContact O-N 3.37Å; F559-Q562 PolarHBondContact O-N 3.03Å; F559-Q562 VanDerWaalsContact O-N 3.17Å; Q562-N564 VanDerWaalsContact C-N 3.3Å; Q562-N564 PolarHBondContact O-N 2.9Å; Q562-A565 PolarHBondContact O-N 3.3Å; Q562-A565 VanDerWaalsContact O-N 3.1Å; Q562-Q566 PolarHBondContact O-N 3.32Å
563	Q	92.5	Very high	92.1	Very high	24 Å²	24	52 Å²	52	11%	0.112	26%	0.261	C	S	.	.	H	α-helix	trans	-64.9	-27.1	171.6	-68.9	-54.4	124.4	0	0	113.4	M309 L313 F559 L561 F567	M309-Q563 WeakPolarHBondContact CE-O 3.01Å; M309-Q563 HydrophobicContact CG-CB 3.79Å; M309-Q563 HydrophobicContact SD-CB 3.99Å; L313-Q563 HydrophobicContact CD1-CB 4.45Å; L313-Q563 HydrophobicContact CD1-CG 4.24Å; F559-Q563 HydrophobicContact CD1-CG 4.48Å; F559-Q563 HydrophobicContact CE1-CG 4.04Å; F559-Q563 HydrophobicContact CE2-CG 4.29Å; F559-Q563 HydrophobicContact CZ-CG 3.93Å; F559-Q563 WeakPolarHBondContact O-CG 3.41Å; F559-Q563 PolarHBondContact O-N 3.21Å; L561-Q563 VanDerWaalsContact C-N 3.27Å; L561-Q563 PolarHBondContact O-N 3.18Å; Q563-F567 VanDerWaalsContact O-CD2 3.23Å; Q563-F567 WeakPolarHBondContact O-CD2 3.48Å; Q563-F567 VanDerWaalsContact O-CE2 3.26Å; Q563-F567 WeakPolarHBondContact O-CE2 3.44Å
564	N	91.8	Very high	91.7	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-70.3	-45.5	166.7	-78.5	-96.3	0	0	0	110.8	C305 M309 G359 V360 L560 L561 Q562 Q566 F567	C305-N564 PolarHBondContact O-ND2 3.32Å; M309-N564 VanDerWaalsContact CB-ND2 3.31Å; M309-N564 WeakPolarHBondContact CB-ND2 3.41Å; G359-N564 VanDerWaalsContact CA-O 3.27Å; G359-N564 WeakPolarHBondContact CA-O 3.41Å; V360-N564 HydrophobicContact CB-CB 4.08Å; V360-N564 HydrophobicContact CG2-CB 4.14Å; L560-N564 PolarHBondContact O-N 2.8Å; L560-N564 PolarHBondContact O-ND2 3.04Å; L561-N564 WeakPolarHBondContact O-CA 3.42Å; L561-N564 WeakPolarHBondContact O-CB 3.41Å; L561-N564 PolarHBondContact O-N 3.15Å; Q562-N564 VanDerWaalsContact C-N 3.3Å; Q562-N564 PolarHBondContact O-N 2.9Å; N564-Q566 PolarHBondContact O-N 3.49Å; N564-Q566 VanDerWaalsContact O-N 3.11Å; N564-F567 PolarHBondContact O-N 3.37Å
565	A	93.6	Very high	91.1	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.1	-18.3	-176.8	0	0	0	0	0	114.4	Q125 F128 L129 L561 Q562 F567 Y568	Q125-A565 PolarHBondContact NE2-O 3.35Å; F128-A565 HydrophobicContact CD1-CB 3.81Å; F128-A565 HydrophobicContact CE1-CB 4.11Å; L129-A565 HydrophobicContact CD2-CB 3.95Å; L129-A565 HydrophobicContact CG-CB 4.26Å; L561-A565 PolarHBondContact O-N 3.47Å; Q562-A565 PolarHBondContact O-N 3.3Å; Q562-A565 VanDerWaalsContact O-N 3.1Å; A565-F567 PolarHBondContact O-N 3.47Å; A565-Y568 HydrophobicContact CB-CD2 4.46Å; A565-Y568 HydrophobicContact CB-CE2 4.46Å; A565-Y568 WeakPolarHBondContact O-CD2 3.48Å
566	Q	92.4	Very high	90.6	Very high	97 Å²	97	52.3 Å²	52.3	45%	0.453	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-18.1	170.9	-71.6	168	12.7	0	0	113.8	L129 Q562 N564	L129-Q566 HydrophobicContact CD2-CG 3.86Å; Q562-Q566 PolarHBondContact O-N 3.32Å; N564-Q566 PolarHBondContact O-N 3.49Å; N564-Q566 VanDerWaalsContact O-N 3.11Å
567	F	90	Very high	90.2	Very high	72 Å²	72	53.7 Å²	53.7	32%	0.316	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	2	-177.1	-68.8	-92.4	0	0	0	115	M309 Y312 L357 Q563 N564 A565 S569	M309-F567 HydrophobicContact CE-CD2 4.03Å; M309-F567 HydrophobicContact CE-CE2 3.58Å; M309-F567 HydrophobicContact CE-CZ 4.44Å; Y312-F567 AromaticContact CE1-CZ 3.93Å; Y312-F567 HydrophobicContact CE1-CZ 3.93Å; L357-F567 HydrophobicContact CB-CD1 3.7Å; L357-F567 HydrophobicContact CB-CD2 4.47Å; L357-F567 HydrophobicContact CB-CE1 3.96Å; L357-F567 HydrophobicContact CB-CG 3.98Å; L357-F567 HydrophobicContact CB-CZ 4.46Å; L357-F567 HydrophobicContact CD1-CD1 4.17Å; L357-F567 HydrophobicContact CD1-CE1 3.58Å; L357-F567 HydrophobicContact CD1-CZ 3.97Å; L357-F567 HydrophobicContact CD2-CZ 4.5Å; L357-F567 HydrophobicContact CG-CE1 4.27Å; L357-F567 WeakPolarHBondContact O-CB 3.19Å; Q563-F567 VanDerWaalsContact O-CD2 3.23Å; Q563-F567 WeakPolarHBondContact O-CD2 3.48Å; Q563-F567 VanDerWaalsContact O-CE2 3.26Å; Q563-F567 WeakPolarHBondContact O-CE2 3.44Å; N564-F567 PolarHBondContact O-N 3.37Å; A565-F567 PolarHBondContact O-N 3.47Å; F567-S569 PolarHBondContact O-N 2.9Å
568	Y	90.7	Very high	89.8	Confident	25 Å²	25	55.3 Å²	55.3	10%	0.098	29%	0.292	C	S	.	.			trans	-72	113.8	170.9	-72.5	-69	0	0	0	111.1	T121 Q125 T243 G359 V360 I361 A565 L570	T121-Y568 HydrophobicContact CG2-CD1 3.98Å; T121-Y568 HydrophobicContact CG2-CE1 3.59Å; T121-Y568 HydrophobicContact CG2-CE2 4.16Å; T121-Y568 HydrophobicContact CG2-CG 4.41Å; Q125-Y568 HydrophobicContact CB-CD2 4.36Å; Q125-Y568 HydrophobicContact CG-CD2 3.96Å; T243-Y568 WeakPolarHBondContact O-CE1 3.34Å; T243-Y568 PolarHBondContact O-OH 3.3Å; G359-Y568 VanDerWaalsContact C-OH 3.27Å; G359-Y568 PolarHBondContact O-OH 2.88Å; V360-Y568 VanDerWaalsContact CA-OH 3.26Å; V360-Y568 WeakPolarHBondContact CA-OH 3.31Å; V360-Y568 PolarHBondContact N-OH 3.29Å; I361-Y568 HydrophobicContact CD1-CE2 4.1Å; I361-Y568 HydrophobicContact CG1-CE2 3.63Å; I361-Y568 PolarHBondContact N-OH 2.84Å; A565-Y568 HydrophobicContact CB-CD2 4.46Å; A565-Y568 HydrophobicContact CB-CE2 4.46Å; A565-Y568 WeakPolarHBondContact O-CD2 3.48Å; Y568-L570 VanDerWaalsContact C-N 3.3Å; Y568-L570 HydrophobicContact CD1-CD1 4.11Å; Y568-L570 PolarHBondContact O-N 2.91Å
569	S	87.1	Confident	89.3	Confident	124 Å²	124	56.4 Å²	56.4	87%	0.867	30%	0.296	S	S	*	.			trans	-92.3	49.7	174.5	66.1	0	0	0	0	112.1	F567	F567-S569 PolarHBondContact O-N 2.9Å
570	L	88	Confident	88.9	Confident	45 Å²	45	54 Å²	54	24%	0.236	29%	0.286	C	S	.	.			trans	-99.7	148.6	-177	-61.2	178.5	0	0	0	111.2	E118 T121 V122 Y568	E118-L570 HydrophobicContact CB-CD1 4.48Å; E118-L570 HydrophobicContact CB-CD2 4.3Å; E118-L570 HydrophobicContact CG-CD2 3.91Å; T121-L570 HydrophobicContact CG2-CD1 3.69Å; V122-L570 HydrophobicContact CG2-CB 3.36Å; V122-L570 HydrophobicContact CG2-CD1 4.12Å; V122-L570 HydrophobicContact CG2-CG 4.39Å; Y568-L570 VanDerWaalsContact C-N 3.3Å; Y568-L570 HydrophobicContact CD1-CD1 4.11Å; Y568-L570 PolarHBondContact O-N 2.91Å
571	R	87.1	Confident	88.6	Confident	187 Å²	187	59.1 Å²	59.1	71%	0.706	31%	0.309	S	S	*	.			trans	-105.1	129	-178.9	-175.7	-177.8	179.2	90.3	2.9	110.6	Q119 E573	Q119-R571 PolarHBondContact NE2-O 2.97Å; R571-E573 IonicContact NE-OE1 2.72Å
572	P	88.4	Confident	88.1	Confident	87 Å²	87	61.7 Å²	61.7	57%	0.565	33%	0.327	S	S	*	.			trans	-70.4	130.8	171	26.7	-32.1	0	0	0	111.4	V122	V122-P572 HydrophobicContact CG1-CB 3.89Å
573	E	87.2	Confident	87.5	Confident	81 Å²	81	63 Å²	63	38%	0.379	33%	0.332	S	S	.	.			trans	-101.7	119.4	171.5	-67.1	-56.5	147.4	0	0	110.3	Q119 R571 D575 F576 S577	Q119-E573 HydrophobicContact CG-CB 4.48Å; R571-E573 IonicContact NE-OE1 2.72Å; E573-D575 VanDerWaalsContact C-N 3.31Å; E573-D575 PolarHBondContact O-N 2.78Å; E573-F576 HydrophobicContact CB-CB 4.48Å; E573-F576 PolarHBondContact O-N 3.38Å; E573-S577 PolarHBondContact O-N 3Å
574	P	85.6	Confident	87.1	Confident	83 Å²	83	66 Å²	66	54%	0.539	35%	0.353	S	S	.	.	H	α-helix	trans	-68.3	-31	-170.2	27.6	-34.9	0	0	0	112.8	S577 T578	P574-S577 PolarHBondContact O-N 3.41Å; P574-T578 WeakPolarHBondContact O-CB 3.2Å; P574-T578 PolarHBondContact O-N 3.25Å; P574-T578 PolarHBondContact O-OG1 3.35Å
575	D	80	Confident	87	Confident	101 Å²	101	69.7 Å²	69.7	54%	0.54	37%	0.372	S	S	.	.	H	α-helix	trans	-65.7	-45.4	178.6	-74.2	4.9	0	0	0	111.3	I106 E573 T578 W579	I106-D575 HydrophobicContact CD1-CB 3.92Å; E573-D575 VanDerWaalsContact C-N 3.31Å; E573-D575 PolarHBondContact O-N 2.78Å; D575-T578 PolarHBondContact O-N 3.31Å; D575-W579 WeakPolarHBondContact O-CB 3.36Å; D575-W579 PolarHBondContact O-N 3.14Å
576	F	86.5	Confident	86.7	Confident	16 Å²	16	70.1 Å²	70.1	7%	0.07	37%	0.374	C	S	.	.	H	α-helix	trans	-61.9	-44.9	173.6	179.3	-84.7	0	0	0	110.9	L111 V116 Q119 L120 E573 T578 W579 F580	L111-F576 HydrophobicContact CD1-CD2 4.04Å; L111-F576 HydrophobicContact CD1-CE2 4.24Å; V116-F576 HydrophobicContact CB-CE2 4.44Å; V116-F576 HydrophobicContact CG1-CE2 4.17Å; V116-F576 HydrophobicContact CG1-CZ 4.43Å; V116-F576 HydrophobicContact CG2-CE2 4.28Å; Q119-F576 HydrophobicContact CB-CB 4.42Å; Q119-F576 HydrophobicContact CB-CD1 3.33Å; Q119-F576 HydrophobicContact CB-CD2 4.12Å; Q119-F576 HydrophobicContact CB-CE1 3.45Å; Q119-F576 VanDerWaalsContact CB-CE1 3.45Å; Q119-F576 HydrophobicContact CB-CE2 4.21Å; Q119-F576 HydrophobicContact CB-CG 3.69Å; Q119-F576 HydrophobicContact CB-CZ 3.9Å; Q119-F576 HydrophobicContact CG-CB 4.04Å; Q119-F576 HydrophobicContact CG-CD1 3.91Å; Q119-F576 HydrophobicContact CG-CD2 4.27Å; Q119-F576 HydrophobicContact CG-CE1 4.46Å; Q119-F576 HydrophobicContact CG-CG 3.8Å; L120-F576 HydrophobicContact CD2-CE1 4.46Å; L120-F576 HydrophobicContact CD2-CZ 4.16Å; L120-F576 HydrophobicContact CG-CZ 4.22Å; E573-F576 HydrophobicContact CB-CB 4.48Å; E573-F576 PolarHBondContact O-N 3.38Å; F576-T578 VanDerWaalsContact C-N 3.32Å; F576-T578 PolarHBondContact O-N 2.92Å; F576-W579 AromaticContact CD2-CE3 3.94Å; F576-W579 HydrophobicContact CD2-CE3 3.94Å; F576-W579 HydrophobicContact CD2-CZ3 4.1Å; F576-W579 AromaticContact CE2-CE3 3.85Å; F576-W579 HydrophobicContact CE2-CE3 3.85Å; F576-W579 AromaticContact CE2-CZ3 3.52Å; F576-W579 HydrophobicContact CE2-CZ3 3.52Å; F576-W579 HydrophobicContact CG-CE3 4.43Å; F576-W579 HydrophobicContact CZ-CE3 4.26Å; F576-W579 AromaticContact CZ-CZ3 3.8Å; F576-W579 HydrophobicContact CZ-CZ3 3.8Å; F576-W579 PolarHBondContact O-N 3.11Å; F576-F580 HydrophobicContact CD1-CB 4.26Å; F576-F580 HydrophobicContact CE1-CB 3.99Å; F576-F580 HydrophobicContact CE1-CD2 4.47Å; F576-F580 HydrophobicContact CE1-CG 4.15Å; F576-F580 HydrophobicContact CZ-CB 4.5Å; F576-F580 WeakPolarHBondContact O-CB 3.26Å; F576-F580 PolarHBondContact O-N 3.29Å
577	S	84.9	Confident	86.5	Confident	56 Å²	56	68.3 Å²	68.3	39%	0.392	37%	0.373	S	S	.	.	H	α-helix	trans	-59.6	-44	177.7	-173.3	0	0	0	0	111.5	E573 P574 F580 H581	E573-S577 PolarHBondContact O-N 3Å; P574-S577 PolarHBondContact O-N 3.41Å; S577-F580 PolarHBondContact O-N 3.4Å; S577-H581 WeakPolarHBondContact O-CB 3.44Å; S577-H581 PolarHBondContact O-N 3.49Å; S577-H581 PolarHBondContact O-ND1 2.64Å
578	T	84.4	Confident	86.4	Confident	68 Å²	68	67.8 Å²	67.8	42%	0.417	37%	0.371	S	S	.	.	H	α-helix	trans	-63.6	-48.6	179	-56.1	0	0	0	0	111.2	I102 P574 D575 F576 H581 S582	I102-T578 HydrophobicContact CG1-CG2 4.46Å; I102-T578 HydrophobicContact CG2-CG2 4.25Å; P574-T578 WeakPolarHBondContact O-CB 3.2Å; P574-T578 PolarHBondContact O-N 3.25Å; P574-T578 PolarHBondContact O-OG1 3.35Å; D575-T578 PolarHBondContact O-N 3.31Å; F576-T578 VanDerWaalsContact C-N 3.32Å; F576-T578 PolarHBondContact O-N 2.92Å; T578-H581 PolarHBondContact O-N 3.5Å; T578-S582 WeakPolarHBondContact O-CB 3.5Å; T578-S582 PolarHBondContact O-N 2.98Å; T578-S582 PolarHBondContact O-OG 3.41Å
579	W	85.7	Confident	86.3	Confident	23 Å²	23	72.2 Å²	72.2	9%	0.087	40%	0.396	C	S	.	.	H	α-helix	trans	-54.4	-55.4	173	167.2	83.1	0	0	0	111.4	I106 L108 L161 D575 F576 H581 S582 Y583	I106-W579 HydrophobicContact CB-CB 4.34Å; I106-W579 HydrophobicContact CB-CG 4.09Å; I106-W579 HydrophobicContact CD1-CB 4.21Å; I106-W579 HydrophobicContact CG2-CB 4.1Å; I106-W579 HydrophobicContact CG2-CD2 4.03Å; I106-W579 HydrophobicContact CG2-CG 3.65Å; I106-W579 PolarHBondContact O-NE1 2.89Å; L108-W579 HydrophobicContact CB-CZ2 4.05Å; L108-W579 HydrophobicContact CD1-CH2 3.95Å; L108-W579 HydrophobicContact CD1-CZ2 4.34Å; L161-W579 HydrophobicContact CD1-CH2 4.15Å; L161-W579 HydrophobicContact CD2-CH2 4.14Å; D575-W579 WeakPolarHBondContact O-CB 3.36Å; D575-W579 PolarHBondContact O-N 3.14Å; F576-W579 AromaticContact CD2-CE3 3.94Å; F576-W579 HydrophobicContact CD2-CE3 3.94Å; F576-W579 HydrophobicContact CD2-CZ3 4.1Å; F576-W579 AromaticContact CE2-CE3 3.85Å; F576-W579 HydrophobicContact CE2-CE3 3.85Å; F576-W579 AromaticContact CE2-CZ3 3.52Å; F576-W579 HydrophobicContact CE2-CZ3 3.52Å; F576-W579 HydrophobicContact CG-CE3 4.43Å; F576-W579 HydrophobicContact CZ-CE3 4.26Å; F576-W579 AromaticContact CZ-CZ3 3.8Å; F576-W579 HydrophobicContact CZ-CZ3 3.8Å; F576-W579 PolarHBondContact O-N 3.11Å; W579-H581 PolarHBondContact O-N 2.99Å; W579-H581 VanDerWaalsContact O-N 3.16Å; W579-S582 PolarHBondContact O-N 2.97Å; W579-S582 PolarHBondContact O-OG 2.98Å; W579-Y583 AromaticContact CE2-CD2 3.89Å; W579-Y583 AromaticContact CZ2-CD2 3.89Å; W579-Y583 HydrophobicContact CZ2-CD2 3.89Å; W579-Y583 HydrophobicContact CZ2-CE2 4.29Å; W579-Y583 AromaticContact NE1-CD2 3.69Å; W579-Y583 PolarHBondContact O-N 2.9Å
580	F	87.5	Confident	86.5	Confident	5 Å²	5	69.6 Å²	69.6	2%	0.022	37%	0.371	C	S	.	.	H	α-helix	trans	-61.9	-24.6	-177.2	179.1	-110.4	0	0	0	113.3	L120 Q154 K157 L161 F576 S577	L120-F580 HydrophobicContact CD2-CD2 4.38Å; L120-F580 HydrophobicContact CD2-CE2 3.84Å; L120-F580 HydrophobicContact CD2-CZ 4.1Å; Q154-F580 VanDerWaalsContact OE1-CE1 3.25Å; K157-F580 HydrophobicContact CD-CE1 3.97Å; K157-F580 HydrophobicContact CD-CZ 3.94Å; K157-F580 WeakPolarHBondContact CE-O 3.45Å; K157-F580 HydrophobicContact CG-CZ 4.28Å; K157-F580 PolarHBondContact NZ-O 2.87Å; L161-F580 HydrophobicContact CD1-CD2 3.55Å; L161-F580 HydrophobicContact CD1-CE2 3.78Å; F576-F580 HydrophobicContact CD1-CB 4.26Å; F576-F580 HydrophobicContact CE1-CB 3.99Å; F576-F580 HydrophobicContact CE1-CD2 4.47Å; F576-F580 HydrophobicContact CE1-CG 4.15Å; F576-F580 HydrophobicContact CZ-CB 4.5Å; F576-F580 WeakPolarHBondContact O-CB 3.26Å; F576-F580 PolarHBondContact O-N 3.29Å; S577-F580 PolarHBondContact O-N 3.4Å
581	H	86.2	Confident	86.5	Confident	126 Å²	126	67.4 Å²	67.4	58%	0.583	36%	0.359	S	S	*	.	H	α-helix	trans	-91	-16.4	173.3	-72	84.5	0	0	0	114.3	K157 S577 T578 W579	K157-H581 PolarHBondContact NZ-CD2 3.19Å; K157-H581 PolarHBondContact NZ-NE2 2.98Å; K157-H581 VanDerWaalsContact NZ-NE2 3.16Å; S577-H581 WeakPolarHBondContact O-CB 3.44Å; S577-H581 PolarHBondContact O-N 3.49Å; S577-H581 PolarHBondContact O-ND1 2.64Å; T578-H581 PolarHBondContact O-N 3.5Å; W579-H581 PolarHBondContact O-N 2.99Å; W579-H581 VanDerWaalsContact O-N 3.16Å
582	S	84.7	Confident	86.7	Confident	56 Å²	56	61.2 Å²	61.2	39%	0.392	34%	0.34	S	S	.	.	H	α-helix	trans	-101.2	-14.1	178.8	67	0	0	0	0	115	T578 W579	T578-S582 WeakPolarHBondContact O-CB 3.5Å; T578-S582 PolarHBondContact O-N 2.98Å; T578-S582 PolarHBondContact O-OG 3.41Å; W579-S582 PolarHBondContact O-N 2.97Å; W579-S582 PolarHBondContact O-OG 2.98Å
583	Y	83.7	Confident	86.7	Confident	44 Å²	44	61.8 Å²	61.8	17%	0.173	34%	0.338	C	S	.	.	S	Bend	trans	-59.8	131	-174.6	-166.3	-89.3	0	0	0	112.2	L161 W579 L585	L161-Y583 HydrophobicContact CD1-CD1 4.29Å; L161-Y583 HydrophobicContact CD1-CG 4.31Å; L161-Y583 HydrophobicContact CG-CD1 3.99Å; L161-Y583 HydrophobicContact CG-CE1 4.4Å; L161-Y583 HydrophobicContact CG-CG 4.44Å; W579-Y583 AromaticContact CE2-CD2 3.89Å; W579-Y583 AromaticContact CZ2-CD2 3.89Å; W579-Y583 HydrophobicContact CZ2-CD2 3.89Å; W579-Y583 HydrophobicContact CZ2-CE2 4.29Å; W579-Y583 AromaticContact NE1-CD2 3.69Å; W579-Y583 PolarHBondContact O-N 2.9Å; Y583-L585 HydrophobicContact CD1-CD2 4.33Å; Y583-L585 PolarHBondContact O-N 2.91Å
584	P	84.1	Confident	86.7	Confident	86 Å²	86	61.1 Å²	61.1	56%	0.558	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-71.7	116.9	-177.6	28.5	-33.9	0	0	0	111.4	N168	N168-P584 PolarHBondContact ND2-O 3.16Å
585	L	88.4	Confident	86.8	Confident	81 Å²	81	57.1 Å²	57.1	42%	0.424	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-92.5	137.6	177.3	-57.4	178.9	0	0	0	111.4	K157 H160 L161 S164 Y583	K157-L585 HydrophobicContact CG-CD1 4.24Å; H160-L585 HydrophobicContact CB-CD1 4.49Å; H160-L585 HydrophobicContact CB-CD2 4.36Å; L161-L585 HydrophobicContact CB-CD2 3.9Å; L161-L585 HydrophobicContact CG-CD2 4.45Å; S164-L585 WeakPolarHBondContact OG-CA 3.35Å; Y583-L585 HydrophobicContact CD1-CD2 4.33Å; Y583-L585 PolarHBondContact O-N 2.91Å
586	I	87.5	Confident	87.1	Confident	9 Å²	9	54.5 Å²	54.5	5%	0.046	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-95.8	156.4	171	69.2	-176.9	0	0	0	111.1	S164 F167 N168 E590 A591	S164-I586 PolarHBondContact OG-N 2.87Å; F167-I586 HydrophobicContact CB-CD1 3.61Å; F167-I586 HydrophobicContact CD2-CD1 4.13Å; F167-I586 HydrophobicContact CG-CD1 4.32Å; N168-I586 VanDerWaalsContact OD1-CG2 3.28Å; N168-I586 WeakPolarHBondContact OD1-CG2 3.5Å; I586-E590 WeakPolarHBondContact CA-OE2 3.38Å; I586-E590 HydrophobicContact CB-CB 4.33Å; I586-E590 HydrophobicContact CB-CG 4.06Å; I586-E590 WeakPolarHBondContact CB-OE2 3.47Å; I586-E590 HydrophobicContact CG2-CG 4.4Å; I586-A591 HydrophobicContact CD1-CB 3.67Å; I586-A591 HydrophobicContact CG1-CB 4.17Å
587	S	89.5	Confident	87	Confident	60 Å²	60	59.7 Å²	59.7	42%	0.42	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-76.7	159	172.8	70.3	0	0	0	0	112.3	N589 E590 A591	S587-N589 VanDerWaalsContact C-N 3.28Å; S587-N589 PolarHBondContact O-N 2.94Å; S587-E590 PolarHBondContact N-OE2 3.37Å; S587-E590 WeakPolarHBondContact O-CB 3.4Å; S587-E590 PolarHBondContact O-N 3.47Å; S587-E590 WeakPolarHBondContact OG-CB 3.27Å; S587-E590 PolarHBondContact OG-N 2.73Å; S587-A591 PolarHBondContact O-N 2.85Å
588	E	87.2	Confident	86.9	Confident	60 Å²	60	59 Å²	59	28%	0.28	32%	0.315	S	S	.	.	H	α-helix	trans	-60.3	-36.2	176.8	-175.4	160.9	-113	0	0	112.6	Y159 L592	Y159-E588 PolarHBondContact OH-OE1 2.7Å; E588-L592 WeakPolarHBondContact O-CB 3.35Å; E588-L592 PolarHBondContact O-N 3.47Å
589	N	89.3	Confident	86.7	Confident	118 Å²	118	56.8 Å²	56.8	63%	0.631	30%	0.3	S	S	*	.	H	α-helix	trans	-66.8	-37.1	173.4	-67.5	-14.9	0	0	0	112	S587 L592 N593	S587-N589 VanDerWaalsContact C-N 3.28Å; S587-N589 PolarHBondContact O-N 2.94Å; N589-L592 PolarHBondContact O-N 3.28Å; N589-N593 WeakPolarHBondContact O-CB 3.08Å; N589-N593 PolarHBondContact O-N 3.12Å; N589-N593 PolarHBondContact O-OD1 3.21Å
590	E	90.3	Very high	86.3	Confident	69 Å²	69	59.9 Å²	59.9	32%	0.322	32%	0.324	S	S	.	.	H	α-helix	trans	-72.9	-39.2	178.1	-179.7	-179.6	-171.5	0	0	111.9	I586 S587 L592 N593 R594	I586-E590 WeakPolarHBondContact CA-OE2 3.38Å; I586-E590 HydrophobicContact CB-CB 4.33Å; I586-E590 HydrophobicContact CB-CG 4.06Å; I586-E590 WeakPolarHBondContact CB-OE2 3.47Å; I586-E590 HydrophobicContact CG2-CG 4.4Å; S587-E590 PolarHBondContact N-OE2 3.37Å; S587-E590 WeakPolarHBondContact O-CB 3.4Å; S587-E590 PolarHBondContact O-N 3.47Å; S587-E590 WeakPolarHBondContact OG-CB 3.27Å; S587-E590 PolarHBondContact OG-N 2.73Å; E590-L592 VanDerWaalsContact C-N 3.29Å; E590-L592 PolarHBondContact O-N 3.03Å; E590-N593 PolarHBondContact O-N 3.4Å; E590-R594 WeakPolarHBondContact O-CB 3.5Å; E590-R594 WeakPolarHBondContact O-CG 3.27Å; E590-R594 PolarHBondContact O-N 3.17Å; E590-R594 IonicContact OE1-CZ 2.72Å; E590-R594 IonicContact OE1-NE 3.19Å; E590-R594 IonicContact OE1-NH2 2.77Å; E590-R594 PolarHBondContact OE1-NH2 3.2Å
591	A	89.5	Confident	85.3	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-58.8	-42	169.2	0	0	0	0	0	111.2	Q163 F167 P260 I586 S587 S595	Q163-A591 HydrophobicContact CB-CB 4.38Å; F167-A591 HydrophobicContact CD2-CB 3.86Å; F167-A591 HydrophobicContact CE2-CB 4.19Å; P260-A591 HydrophobicContact CB-CB 3.9Å; P260-A591 HydrophobicContact CG-CB 3.92Å; I586-A591 HydrophobicContact CD1-CB 3.67Å; I586-A591 HydrophobicContact CG1-CB 4.17Å; S587-A591 PolarHBondContact O-N 2.85Å; A591-S595 VanDerWaalsContact O-CB 3.27Å; A591-S595 WeakPolarHBondContact O-CB 3.34Å; A591-S595 PolarHBondContact O-N 3.11Å
592	L	89.4	Confident	83.8	Confident	57 Å²	57	62 Å²	62	30%	0.298	35%	0.349	S	S	.	.	H	α-helix	trans	-65.4	-45.9	176.4	-175.2	61.9	0	0	0	112.1	T259 P260 E588 N589 E590 S595 C596	T259-L592 HydrophobicContact CG2-CD1 4.2Å; P260-L592 HydrophobicContact CB-CB 4.47Å; E588-L592 WeakPolarHBondContact O-CB 3.35Å; E588-L592 PolarHBondContact O-N 3.47Å; N589-L592 PolarHBondContact O-N 3.28Å; E590-L592 VanDerWaalsContact C-N 3.29Å; E590-L592 PolarHBondContact O-N 3.03Å; L592-S595 CarbonylContact O-C 3.56Å; L592-S595 PolarHBondContact O-N 3.26Å; L592-C596 PolarHBondContact O-N 3.43Å; L592-C596 PolarHBondContact O-SG 3.36Å
593	N	89.8	Confident	81.9	Confident	99 Å²	99	67.7 Å²	67.7	53%	0.529	37%	0.37	S	S	.	.	H	α-helix	trans	-61.3	-52.1	177.3	-70.2	-9.5	0	0	0	111.4	N589 E590 S595 C596 D597	N589-N593 WeakPolarHBondContact O-CB 3.08Å; N589-N593 PolarHBondContact O-N 3.12Å; N589-N593 PolarHBondContact O-OD1 3.21Å; E590-N593 PolarHBondContact O-N 3.4Å; N593-S595 PolarHBondContact O-N 2.98Å; N593-C596 WeakPolarHBondContact O-CA 3.4Å; N593-C596 VanDerWaalsContact O-CB 3.23Å; N593-C596 WeakPolarHBondContact O-CB 3.38Å; N593-C596 PolarHBondContact O-N 3.01Å; N593-D597 VanDerWaalsContact O-CG 3.27Å; N593-D597 PolarHBondContact O-N 3Å
594	R	86.8	Confident	80	Confident	66 Å²	66	74.2 Å²	74.2	25%	0.249	40%	0.402	C	S	.	.	H	α-helix	trans	-58.6	-34.4	176.6	-67.3	179.9	-171.1	-161.7	13.6	111.8	F167 N168 E590 D597 L598	F167-R594 HydrophobicContact CB-CB 4.23Å; F167-R594 HydrophobicContact CD1-CB 4.35Å; F167-R594 HydrophobicContact CG-CB 4.48Å; F167-R594 WeakPolarHBondContact O-CD 3.5Å; F167-R594 PolarHBondContact O-NH1 2.97Å; N168-R594 PolarHBondContact OD1-NH1 2.89Å; N168-R594 PolarHBondContact OD1-NH2 2.9Å; E590-R594 WeakPolarHBondContact O-CB 3.5Å; E590-R594 WeakPolarHBondContact O-CG 3.27Å; E590-R594 PolarHBondContact O-N 3.17Å; E590-R594 IonicContact OE1-CZ 2.72Å; E590-R594 IonicContact OE1-NE 3.19Å; E590-R594 IonicContact OE1-NH2 2.77Å; E590-R594 PolarHBondContact OE1-NH2 3.2Å; R594-D597 PolarHBondContact O-N 3.4Å; R594-L598 WeakPolarHBondContact O-CB 3.16Å; R594-L598 WeakPolarHBondContact O-CD1 3.32Å; R594-L598 WeakPolarHBondContact O-CG 3.42Å; R594-L598 PolarHBondContact O-N 3.47Å
595	S	87.6	Confident	78	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-75.1	-22.5	173.8	-171.2	0	0	0	0	114.5	P260 R263 L264 A591 L592 N593 E599	P260-S595 WeakPolarHBondContact O-CB 3.4Å; P260-S595 PolarHBondContact O-OG 2.78Å; R263-S595 WeakPolarHBondContact CD-OG 3.16Å; R263-S595 WeakPolarHBondContact CG-OG 3.38Å; R263-S595 PolarHBondContact NE-O 3.27Å; R263-S595 PolarHBondContact NE-OG 2.96Å; L264-S595 VanDerWaalsContact CD2-OG 3.3Å; L264-S595 WeakPolarHBondContact CD2-OG 3.36Å; A591-S595 VanDerWaalsContact O-CB 3.27Å; A591-S595 WeakPolarHBondContact O-CB 3.34Å; A591-S595 PolarHBondContact O-N 3.11Å; L592-S595 CarbonylContact O-C 3.56Å; L592-S595 PolarHBondContact O-N 3.26Å; N593-S595 PolarHBondContact O-N 2.98Å; S595-E599 PolarHBondContact O-N 3.33Å
596	C	86.4	Confident	75.7	Confident	46 Å²	46	76.2 Å²	76.2	31%	0.311	40%	0.403	S	S	.	.	H	α-helix	trans	-68.4	-39.5	164.7	-64.6	0	0	0	0	111.3	R263 L592 N593 E599 P600	R263-C596 PolarHBondContact NH1-SG 3.28Å; L592-C596 PolarHBondContact O-N 3.43Å; L592-C596 PolarHBondContact O-SG 3.36Å; N593-C596 WeakPolarHBondContact O-CA 3.4Å; N593-C596 VanDerWaalsContact O-CB 3.23Å; N593-C596 WeakPolarHBondContact O-CB 3.38Å; N593-C596 PolarHBondContact O-N 3.01Å; C596-E599 CarbonylContact O-C 3.57Å; C596-P600 WeakPolarHBondContact O-CA 3.49Å
597	D	84.4	Confident	73.5	Confident	125 Å²	125	83.6 Å²	83.6	67%	0.668	44%	0.437	S	S	*	.	H	α-helix	trans	-70.2	-33.5	-179.2	-56	-36.3	0	0	0	112	N593 R594	N593-D597 VanDerWaalsContact O-CG 3.27Å; N593-D597 PolarHBondContact O-N 3Å; R594-D597 PolarHBondContact O-N 3.4Å
598	L	82	Confident	71.3	Confident	40 Å²	40	86.9 Å²	86.9	21%	0.209	45%	0.446	C	S	.	.	H	α-helix	trans	-80.7	-45.8	-179.6	-70	163.5	0	0	0	114.1	F167 V222 R594	F167-L598 HydrophobicContact CD1-CD1 3.58Å; F167-L598 HydrophobicContact CE1-CD1 3.83Å; V222-L598 HydrophobicContact CG1-CD2 3.57Å; R594-L598 WeakPolarHBondContact O-CB 3.16Å; R594-L598 WeakPolarHBondContact O-CD1 3.32Å; R594-L598 WeakPolarHBondContact O-CG 3.42Å; R594-L598 PolarHBondContact O-N 3.47Å
599	E	80.7	Confident	69.2	Low	22 Å²	22	89.1 Å²	89.1	10%	0.103	46%	0.463	C	S	.	.	S	Bend	trans	-128.4	88.2	176.2	-69.8	-171.1	-144.3	0	0	108.5	R263 L264 W265 H266 S267 S595 C596	R263-E599 PolarHBondContact NH2-O 3.11Å; L264-E599 VanDerWaalsContact CA-CD 3.46Å; L264-E599 WeakPolarHBondContact CA-OE1 3.46Å; L264-E599 WeakPolarHBondContact CA-OE2 3.5Å; L264-E599 WeakPolarHBondContact CB-OE1 3.32Å; L264-E599 HydrophobicContact CD2-CB 4.26Å; L264-E599 HydrophobicContact CD2-CG 3.95Å; W265-E599 PolarHBondContact N-OE2 2.95Å; H266-E599 PolarHBondContact N-OE2 2.85Å; S267-E599 PolarHBondContact N-OE1 3.18Å; S267-E599 PolarHBondContact OG-OE1 3.47Å; S595-E599 PolarHBondContact O-N 3.33Å; C596-E599 CarbonylContact O-C 3.57Å
600	P	77.2	Confident	66.6	Low	89 Å²	89	87.1 Å²	87.1	58%	0.578	45%	0.452	S	S	*	.			trans	-57.2	155.1	178.5	-27.7	36.6	0	0	0	113.6	C596 D602	C596-P600 WeakPolarHBondContact O-CA 3.49Å; P600-D602 PolarHBondContact O-N 3.34Å; P600-D602 VanDerWaalsContact O-N 3.14Å
601	A	67.4	Low	63.9	Low	72 Å²	72	93 Å²	93	60%	0.595	47%	0.472	S	S	*	.			trans	-83.5	90.4	-175.2	0	0	0	0	0	112.1	E603	A601-E603 PolarHBondContact O-N 3.11Å
602	D	53.7	Low	61	Low	103 Å²	103	97.1 Å²	97.1	55%	0.551	50%	0.498	S	S	*	.			trans	-58.9	118.1	169.3	-84.6	-38	0	0	0	111.2	P600 Q604 M605	P600-D602 PolarHBondContact O-N 3.34Å; P600-D602 VanDerWaalsContact O-N 3.14Å; D602-Q604 PolarHBondContact O-N 3.45Å; D602-M605 HydrophobicContact CB-CB 4.28Å; D602-M605 HydrophobicContact CB-CG 4.32Å; D602-M605 PolarHBondContact O-N 3.11Å
603	E	46.3	Very low	58.5	Low	175 Å²	175	100 Å²	100	82%	0.818	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-24.6	-180	-62.2	-171.3	140.5	0	0	112.8	A601	A601-E603 PolarHBondContact O-N 3.11Å
604	Q	42.9	Very low	55.7	Low	182 Å²	182	99.9 Å²	99.9	85%	0.85	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-18	179.2	-57.6	-172.5	15	0	0	113.7	D602	D602-Q604 PolarHBondContact O-N 3.45Å
605	M	42.5	Very low	52.9	Low	88 Å²	88	101 Å²	101	43%	0.433	54%	0.538	S	S	.	.			trans	-98.3	-2.8	-173.8	-78.2	-65.6	170.5	0	0	115	D602 Q607 H608	D602-M605 HydrophobicContact CB-CB 4.28Å; D602-M605 HydrophobicContact CB-CG 4.32Å; D602-M605 PolarHBondContact O-N 3.11Å; M605-Q607 PolarHBondContact O-N 3.22Å; M605-H608 PolarHBondContact O-N 3.26Å
606	Q	40.6	Very low	50.1	Low	121 Å²	121	105.1 Å²	105.1	57%	0.565	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	-13.2	-176.4	-61.6	-167.6	11.8	0	0	114.7	H608	Q606-H608 VanDerWaalsContact C-N 3.34Å
607	Q	40.6	Very low	47.4	Very low	163 Å²	163	107.4 Å²	107.4	76%	0.762	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-29.8	172	-61.8	-170.6	8.9	0	0	113.2	M605 N610	M605-Q607 PolarHBondContact O-N 3.22Å; Q607-N610 PolarHBondContact O-N 3.42Å
608	H	43.5	Very low	44.8	Very low	130 Å²	130	111.5 Å²	111.5	60%	0.602	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-72.6	-28.1	179.6	-91.3	-107	0	0	0	113.1	M605 Q606 N610 R611	M605-H608 PolarHBondContact O-N 3.26Å; Q606-H608 VanDerWaalsContact C-N 3.34Å; H608-N610 PolarHBondContact O-N 3.22Å; H608-N610 VanDerWaalsContact O-N 3.15Å; H608-R611 PolarHBondContact O-N 3.08Å
609	V	42.4	Very low	42.3	Very low	106 Å²	106	114.6 Å²	114.6	64%	0.642	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-64.5	-17.7	175.4	-175.2	0	0	0	0	112.4
610	N	34.1	Very low	39.7	Very low	77 Å²	77	121.9 Å²	121.9	41%	0.412	64%	0.642	S	S	.	*	G	3₁₀ helix	trans	-104.3	1.6	-179.7	-62.8	-28.1	0	0	0	113.7	Q607 H608 P612 R650	Q607-N610 PolarHBondContact O-N 3.42Å; H608-N610 PolarHBondContact O-N 3.22Å; H608-N610 VanDerWaalsContact O-N 3.15Å; N610-P612 WeakPolarHBondContact O-CD 3.27Å; N610-R650 PolarHBondContact OD1-NE 2.61Å; N610-R650 PolarHBondContact OD1-NH2 3.26Å; N610-R650 VanDerWaalsContact OD1-NH2 3.07Å
611	R	33.4	Very low	37.5	Very low	192 Å²	192	125 Å²	125	73%	0.725	65%	0.653	S	S	*	*	S	Bend	trans	-92.7	112.6	174.1	-164.1	178.3	-71.6	-135.8	2.7	108.5	H608	H608-R611 PolarHBondContact O-N 3.08Å
612	P	29.7	Very low	35.6	Very low	86 Å²	86	127.2 Å²	127.2	56%	0.558	66%	0.66	S	S	*	*			trans	-62.8	147.3	174	27.4	-33.9	0	0	0	109.5	N610 S614	N610-P612 WeakPolarHBondContact O-CD 3.27Å; P612-S614 PolarHBondContact O-N 3.44Å
613	F	37.7	Very low	34.8	Very low	119 Å²	119	127.1 Å²	127.1	52%	0.522	67%	0.667	S	S	.	*			trans	-66.3	81.5	162.5	-79.7	-73.5	0	0	0	108.6	F279 A615	F279-F613 HydrophobicContact CZ-CD1 4.48Å; F279-F613 HydrophobicContact CZ-CE1 4.03Å; F613-A615 PolarHBondContact O-N 2.84Å
614	S	29.3	Very low	34.1	Very low	95 Å²	95	126 Å²	126	66%	0.664	67%	0.667	S	S	*	*			trans	-61.3	122.1	-180	-172	0	0	0	0	109.3	P612 S616	P612-S614 PolarHBondContact O-N 3.44Å; S614-S616 VanDerWaalsContact C-N 3.27Å; S614-S616 PolarHBondContact O-N 3.43Å
615	A	29.8	Very low	33.7	Very low	89 Å²	89	122 Å²	122	74%	0.736	66%	0.659	S	S	*	*			trans	-70.4	91.6	161.9	0	0	0	0	0	107.3	F613 P617	F613-A615 PolarHBondContact O-N 2.84Å; A615-P617 VanDerWaalsContact O-CD 3.24Å; A615-P617 WeakPolarHBondContact O-CD 3.23Å
616	S	27.8	Very low	33.3	Very low	87 Å²	87	124.1 Å²	124.1	61%	0.608	68%	0.683	S	S	*	*			trans	-62.2	115.4	165.1	-169.6	0	0	0	0	107.6	S614 Y618	S614-S616 VanDerWaalsContact C-N 3.27Å; S614-S616 PolarHBondContact O-N 3.43Å; S616-Y618 PolarHBondContact O-N 2.93Å
617	P	30.4	Very low	32.8	Very low	95 Å²	95	122 Å²	122	62%	0.617	69%	0.693	S	S	*	*			trans	-71.4	118.7	174.6	30.2	-31.3	0	0	0	107.9	A615 T619	A615-P617 VanDerWaalsContact O-CD 3.24Å; A615-P617 WeakPolarHBondContact O-CD 3.23Å; P617-T619 HydrophobicContact CB-CG2 4.37Å; P617-T619 PolarHBondContact O-N 3.28Å
618	Y	28.4	Very low	32.4	Very low	211 Å²	211	118.8 Å²	118.8	83%	0.827	69%	0.694	S	S	*	*			trans	-75.6	63.4	163.9	-84.2	-82	0	0	0	109.6	S616 F620	S616-Y618 PolarHBondContact O-N 2.93Å; Y618-F620 PolarHBondContact O-N 2.94Å
619	T	29.8	Very low	31.7	Very low	105 Å²	105	118.5 Å²	118.5	64%	0.644	70%	0.702	S	S	*	*			trans	-72.2	101.6	160.4	40.2	0	0	0	0	107.5	P617 D621	P617-T619 HydrophobicContact CB-CG2 4.37Å; P617-T619 PolarHBondContact O-N 3.28Å; T619-D621 PolarHBondContact O-N 2.9Å
620	F	26.4	Very low	31.3	Very low	175 Å²	175	120.1 Å²	120.1	77%	0.768	71%	0.706	S	S	*	*			trans	-84.1	62.6	-175.1	-141.2	-83.8	0	0	0	110.7	Y618 T622	Y618-F620 PolarHBondContact O-N 2.94Å; F620-T622 HydrophobicContact CD1-CG2 3.86Å; F620-T622 HydrophobicContact CE1-CG2 3.98Å; F620-T622 PolarHBondContact O-N 2.85Å
621	D	30	Very low	31.1	Very low	154 Å²	154	122.9 Å²	122.9	82%	0.824	72%	0.72	S	S	*	*			trans	-81.6	112.5	170.7	-83.3	-47.5	0	0	0	109.5	T619	T619-D621 PolarHBondContact O-N 2.9Å
622	T	28.8	Very low	31	Very low	118 Å²	118	120.3 Å²	120.3	72%	0.724	72%	0.719	S	S	*	*			trans	-93.6	115.1	-177.6	49.9	0	0	0	0	112	F620	F620-T622 HydrophobicContact CD1-CG2 3.86Å; F620-T622 HydrophobicContact CE1-CG2 3.98Å; F620-T622 PolarHBondContact O-N 2.85Å
623	S	35.6	Very low	30.9	Very low	102 Å²	102	122.6 Å²	122.6	71%	0.713	73%	0.726	S	S	*	*			trans	-145.6	128.7	158.7	57.1	0	0	0	0	110.6
624	D	33.3	Very low	30.6	Very low	151 Å²	151	122 Å²	122	81%	0.807	73%	0.733	S	S	*	*			trans	44.4	106.5	153.2	-48.8	-23.5	0	0	0	118.1
625	S	34.7	Very low	30.7	Very low	99 Å²	99	124 Å²	124	69%	0.692	74%	0.736	S	S	*	*			cis	107.1	127.5	42.5	69.4	0	0	0	0	112.5
626	S	32.8	Very low	30.9	Very low	132 Å²	132	129 Å²	129	92%	0.923	74%	0.741	S	S	*	*			trans	69.1	146.4	163.7	78.6	0	0	0	0	119.4
627	G	30.7	Very low	31.2	Very low	76 Å²	76	130.1 Å²	130.1	78%	0.784	75%	0.746	S	S	*	*			trans	139	119.3	166.8	0	0	0	0	0	115.2
628	A	31.3	Very low	31.1	Very low	95 Å²	95	135.7 Å²	135.7	79%	0.785	76%	0.755	S	S	*	*			trans	-51.6	145.5	172.9	0	0	0	0	0	113.3
629	V	29.2	Very low	31.3	Very low	125 Å²	125	132.7 Å²	132.7	76%	0.758	75%	0.748	S	S	*	*				75.3	138.2	50.8	176.6	0	0	0	0	112.7
630	D	34.4	Very low	31.3	Very low	139 Å²	139	134.4 Å²	134.4	74%	0.743	75%	0.749	S	S	*	*			trans	84.3	154.4	178.4	-65	-18.6	0	0	0	119.9
631	I	29.1	Very low	31.3	Very low	136 Å²	136	135.5 Å²	135.5	70%	0.697	75%	0.748	S	S	*	*			cis	-166.2	145.6	-47	-127.1	171.8	0	0	0	110.1
632	I	31.8	Very low	31.4	Very low	138 Å²	138	135.6 Å²	135.6	71%	0.708	75%	0.748	S	S	*	*			trans	67.6	114.9	154.9	-71.9	175.7	0	0	0	122.3
633	N	28.6	Very low	31.3	Very low	133 Å²	133	137.2 Å²	137.2	71%	0.711	75%	0.753	S	S	*	*			trans	71.7	127.6	134.5	-76.6	-9.3	0	0	0	127.7
634	T	31.4	Very low	31.2	Very low	106 Å²	106	137.9 Å²	137.9	65%	0.65	75%	0.753	S	S	*	*				88.4	114	126.4	55.5	0	0	0	0	124.3
635	N	30.8	Very low	30.9	Very low	138 Å²	138	139.1 Å²	139.1	74%	0.738	76%	0.759	S	S	*	*				81.4	114.3	123.6	-71.1	-28	0	0	0	123.5
636	K	33.1	Very low	30.6	Very low	195 Å²	195	140.9 Å²	140.9	85%	0.848	76%	0.76	S	S	*	*			trans	93.9	151.5	132.4	-75.5	-171.8	174	179.7	0	119.9
637	P	34.1	Very low	30.3	Very low	110 Å²	110	143 Å²	143	71%	0.714	76%	0.755	S	S	*	*			trans	-140.7	174.8	-140.9	41.2	-21.7	0	0	0	117
638	R	28.1	Very low	30.2	Very low	211 Å²	211	144 Å²	144	80%	0.796	75%	0.745	S	S	*	*				154.9	160.7	130	-88	178.9	164.4	-177.9	-3.5	113.1
639	H	32.9	Very low	30	Very low	148 Å²	148	145.2 Å²	145.2	69%	0.685	74%	0.735	S	S	*	*			trans	70.5	141.8	164.6	-60.4	-68.7	0	0	0	116.7
640	Q	29.3	Very low	29.8	Very low	142 Å²	142	147.6 Å²	147.6	66%	0.664	73%	0.73	S	S	*	*			cis	-160.4	158.9	-18.3	-133.3	177.6	21.5	0	0	110.8
641	R	26.7	Very low	29.5	Very low	198 Å²	198	144.7 Å²	144.7	75%	0.747	72%	0.721	S	S	*	*			trans	55.6	121.4	158.7	-72.6	175.5	166.8	148.8	-6.6	119.4
642	N	31.7	Very low	29.6	Very low	155 Å²	155	144.3 Å²	144.3	83%	0.829	71%	0.714	S	S	*	*				-166.4	140	101.7	-94.3	-15	0	0	0	110.8
643	D	27.5	Very low	29.7	Very low	152 Å²	152	143.1 Å²	143.1	81%	0.813	70%	0.701	S	S	*	*			trans	-88	124.6	-173.8	-57.8	-77.1	0	0	0	111.8
644	T	34	Very low	29.6	Very low	117 Å²	117	139.8 Å²	139.8	72%	0.718	69%	0.693	S	S	*	*			trans	-138.9	126.6	161.1	46.5	0	0	0	0	109.9	I646	T644-I646 PolarHBondContact O-N 3.33Å
645	N	26.2	Very low	29.4	Very low	176 Å²	176	140.8 Å²	140.8	94%	0.941	69%	0.692	S	S	*	*			trans	-78.1	82.4	-177.8	-76.7	-47.5	0	0	0	111.2	H647	N645-H647 PolarHBondContact O-N 3.05Å
646	I	29.2	Very low	29.4	Very low	137 Å²	137	138.8 Å²	138.8	70%	0.703	69%	0.685	S	S	*	*			trans	-75.5	111.1	170.1	-62.6	176	0	0	0	108.7	T644 V648	T644-I646 PolarHBondContact O-N 3.33Å; I646-V648 PolarHBondContact O-N 3.48Å
647	H	26.9	Very low	29.5	Very low	177 Å²	177	137.4 Å²	137.4	82%	0.819	68%	0.675	S	S	*	*			trans	-71.2	87.5	178.7	-177.9	-71.7	0	0	0	110.9	N645 E649	N645-H647 PolarHBondContact O-N 3.05Å; H647-E649 PolarHBondContact O-N 3.22Å; H647-E649 VanDerWaalsContact O-N 3.14Å
648	V	27.5	Very low	29.2	Very low	97 Å²	97	133.9 Å²	133.9	59%	0.588	65%	0.652	S	S	*	*			trans	-61.8	114.1	-178.6	179.9	0	0	0	0	110.8	I646 R650	I646-V648 PolarHBondContact O-N 3.48Å; V648-R650 PolarHBondContact O-N 2.59Å
649	E	26.5	Very low	29.2	Very low	120 Å²	120	127.8 Å²	127.8	56%	0.561	64%	0.639	S	S	*	*			trans	-70.6	86.3	-174	-171.4	-176.2	-145.2	0	0	112.4	H647 S651 K652	H647-E649 PolarHBondContact O-N 3.22Å; H647-E649 VanDerWaalsContact O-N 3.14Å; E649-S651 PolarHBondContact O-N 3.33Å; E649-K652 WeakPolarHBondContact OE2-CE 3.37Å; E649-K652 IonicContact OE2-NZ 3.87Å; E649-K652 PolarHBondContact OE2-NZ 2.79Å
650	R	25.7	Very low	29	Very low	174 Å²	174	123.6 Å²	123.6	66%	0.657	63%	0.627	S	S	*	*			trans	-79	41	-174.2	-151.1	-177.9	-157.8	-163.5	4.8	114.1	N610 V648	N610-R650 PolarHBondContact OD1-NE 2.61Å; N610-R650 PolarHBondContact OD1-NH2 3.26Å; N610-R650 VanDerWaalsContact OD1-NH2 3.07Å; V648-R650 PolarHBondContact O-N 2.59Å
651	S	28.2	Very low	28.9	Very low	78 Å²	78	119.3 Å²	119.3	55%	0.545	62%	0.616	S	S	.	*			trans	-152.8	76.2	-168.5	56.8	0	0	0	0	114.8	E649	E649-S651 PolarHBondContact O-N 3.33Å
652	K	31.7	Very low	29	Very low	128 Å²	128	114.7 Å²	114.7	56%	0.557	61%	0.61	S	S	*	*	S	Bend	trans	-127.8	-24.2	166.5	-65.6	-172.7	178.4	165.5	0	115.5	E649	E649-K652 WeakPolarHBondContact OE2-CE 3.37Å; E649-K652 IonicContact OE2-NZ 3.87Å; E649-K652 PolarHBondContact OE2-NZ 2.79Å
653	Y	32.9	Very low	28.6	Very low	113 Å²	113	111.1 Å²	111.1	44%	0.443	60%	0.595	S	S	.	*	S	Bend	trans	-137.1	21.9	170.8	-61	-71.2	0	0	0	113.3
654	A	26.5	Very low	28.5	Very low	64 Å²	64	111.3 Å²	111.3	53%	0.529	60%	0.595	S	S	.	*			trans	-98.3	110.5	-171.1	0	0	0	0	0	113.1	T656	A654-T656 PolarHBondContact O-N 3.19Å
655	I	28.9	Very low	28.3	Very low	126 Å²	126	114.7 Å²	114.7	65%	0.646	60%	0.595	S	S	*	*			trans	44.9	72.4	149	-37.3	175.6	0	0	0	116.2	T259	T259-I655 VanDerWaalsContact OG1-CD1 3.3Å; T259-I655 WeakPolarHBondContact OG1-CD1 3.45Å
656	T	29.4	Very low	28.2	Very low	96 Å²	96	110.6 Å²	110.6	59%	0.589	59%	0.586	S	S	*	*			trans	-94.8	96.8	145.3	48.2	0	0	0	0	108.3	A654	A654-T656 PolarHBondContact O-N 3.19Å
657	R	34.9	Very low	28.1	Very low	167 Å²	167	109 Å²	109	63%	0.63	58%	0.583	S	S	*	*			trans	-50.9	139.9	177.5	-163.9	-176.2	-166.2	-162.7	2.5	110.1
658	P	29.2	Very low	27.9	Very low	36 Å²	36	107.4 Å²	107.4	23%	0.234	59%	0.586	C	S	.	*			trans	-55.8	139.8	168.1	25.6	-34	0	0	0	108.7	S660	P658-S660 PolarHBondContact O-N 3.35Å
659	P	27.4	Very low	27.9	Very low	82 Å²	82	107.8 Å²	107.8	53%	0.532	59%	0.589	S	S	.	*			trans	-62.5	107.7	-174.7	24.9	-33.4	0	0	0	109.3	A661	P659-A661 PolarHBondContact O-N 3.34Å
660	S	27.9	Very low	28	Very low	60 Å²	60	107.9 Å²	107.9	42%	0.42	60%	0.598	S	S	.	*			trans	-59.7	121.6	173.2	-53.2	0	0	0	0	107.8	P658 T662	P658-S660 PolarHBondContact O-N 3.35Å; S660-T662 PolarHBondContact O-N 3.42Å
661	A	28.9	Very low	27.9	Very low	53 Å²	53	106.4 Å²	106.4	44%	0.438	61%	0.608	S	S	.	*			trans	-75.6	58.5	-172.2	0	0	0	0	0	112.6	P659	P659-A661 PolarHBondContact O-N 3.34Å
662	T	27.1	Very low	28	Very low	101 Å²	101	108.7 Å²	108.7	62%	0.62	62%	0.619	S	S	*	*			trans	-107.9	105.9	169.8	50.6	0	0	0	0	108.2	S660 I664	S660-T662 PolarHBondContact O-N 3.42Å; T662-I664 PolarHBondContact O-N 2.92Å
663	P	24.4	Very low	27.7	Very low	80 Å²	80	108.3 Å²	108.3	52%	0.519	63%	0.633	S	S	.	*			trans	-64.1	107.9	168.4	26.9	-31.8	0	0	0	107.7	Y665	P663-Y665 VanDerWaalsContact C-N 3.3Å; P663-Y665 HydrophobicContact CB-CE2 4.47Å; P663-Y665 HydrophobicContact CG-CD2 4.5Å; P663-Y665 HydrophobicContact CG-CE2 4.09Å; P663-Y665 WeakPolarHBondContact O-CD2 3.32Å; P663-Y665 PolarHBondContact O-N 3.36Å
664	I	25.9	Very low	27.7	Very low	156 Å²	156	110.9 Å²	110.9	80%	0.8	65%	0.652	S	S	*	*			trans	-69.4	96.5	170.6	-61.7	178.2	0	0	0	106.1	T662 A666	T662-I664 PolarHBondContact O-N 2.92Å; I664-A666 PolarHBondContact O-N 3.21Å
665	Y	28.8	Very low	27.6	Very low	187 Å²	187	115.3 Å²	115.3	73%	0.733	66%	0.664	S	S	*	*			trans	-59.3	109	170.5	-81.8	-93	0	0	0	108.4	P663 T667	P663-Y665 VanDerWaalsContact C-N 3.3Å; P663-Y665 HydrophobicContact CB-CE2 4.47Å; P663-Y665 HydrophobicContact CG-CD2 4.5Å; P663-Y665 HydrophobicContact CG-CE2 4.09Å; P663-Y665 WeakPolarHBondContact O-CD2 3.32Å; P663-Y665 PolarHBondContact O-N 3.36Å; Y665-T667 PolarHBondContact O-N 3.23Å; Y665-T667 PolarHBondContact O-OG1 3.24Å
666	A	23.9	Very low	27.5	Very low	91 Å²	91	120.8 Å²	120.8	75%	0.752	68%	0.676	S	S	*	*			trans	-73.2	67.5	169.4	0	0	0	0	0	109.4	I664 T668	I664-A666 PolarHBondContact O-N 3.21Å; A666-T668 VanDerWaalsContact C-N 3.32Å; A666-T668 PolarHBondContact O-N 3.4Å
667	T	26.6	Very low	27.5	Very low	103 Å²	103	123.3 Å²	123.3	63%	0.632	69%	0.686	S	S	*	*			trans	-75.6	85.8	179.4	-34.3	0	0	0	0	109.1	Y665 T669	Y665-T667 PolarHBondContact O-N 3.23Å; Y665-T667 PolarHBondContact O-OG1 3.24Å; T667-T669 VanDerWaalsContact C-N 3.26Å; T667-T669 WeakPolarHBondContact CG2-OG1 3.39Å; T667-T669 PolarHBondContact O-N 2.98Å; T667-T669 PolarHBondContact O-OG1 3.13Å
668	T	24.2	Very low	27.3	Very low	143 Å²	143	119.6 Å²	119.6	88%	0.877	68%	0.684	S	S	*	*			trans	-65.5	84.7	170.4	30.1	0	0	0	0	110.5	A666	A666-T668 VanDerWaalsContact C-N 3.32Å; A666-T668 PolarHBondContact O-N 3.4Å
669	T	27.5	Very low	27.2	Very low	106 Å²	106	124.6 Å²	124.6	65%	0.65	71%	0.709	S	S	*	*			trans	-123.8	93.2	173.8	8.4	0	0	0	0	110	T667	T667-T669 VanDerWaalsContact C-N 3.26Å; T667-T669 WeakPolarHBondContact CG2-OG1 3.39Å; T667-T669 PolarHBondContact O-N 2.98Å; T667-T669 PolarHBondContact O-OG1 3.13Å
670	T	27.3	Very low	27.4	Very low	122 Å²	122	126.8 Å²	126.8	75%	0.748	72%	0.721	S	S	*	*			trans	11.5	117.5	150.6	49.1	0	0	0	0	117.9	T672	T670-T672 PolarHBondContact O-N 2.55Å
671	T	23.6	Very low	27.5	Very low	143 Å²	143	132.2 Å²	132.2	88%	0.877	74%	0.739	S	S	*	*			trans	-58.7	121.8	167	47.8	0	0	0	0	112.8
672	T	30.8	Very low	27.6	Very low	126 Å²	126	137.2 Å²	137.2	77%	0.773	76%	0.757	S	S	*	*			trans	-128.8	94.8	161.8	54.6	0	0	0	0	110.1	T670	T670-T672 PolarHBondContact O-N 2.55Å
673	S	26	Very low	28	Very low	120 Å²	120	137.5 Å²	137.5	84%	0.839	76%	0.763	S	S	*	*			trans	-83.2	119.7	177.3	56.9	0	0	0	0	111.5
674	I	31.9	Very low	28.2	Very low	167 Å²	167	140.9 Å²	140.9	86%	0.856	78%	0.777	S	S	*	*			trans	-121.5	128.7	166.7	-63.7	179.8	0	0	0	108.6
675	M	24.9	Very low	28.6	Very low	156 Å²	156	140.9 Å²	140.9	77%	0.768	78%	0.777	S	S	*	*			trans	-90.6	157.4	179.7	-70.4	178.6	59.7	0	0	112.6
676	R	26.4	Very low	28.7	Very low	242 Å²	242	137.2 Å²	137.2	91%	0.913	78%	0.778	S	S	*	*			trans	125.7	138	163.7	-69.8	155.8	-171.3	-177.9	3.4	108.7
677	N	30	Very low	29.2	Very low	148 Å²	148	137.3 Å²	137.3	79%	0.791	77%	0.773	S	S	*	*			cis	-155.7	145.3	24.3	-168.4	41.2	0	0	0	111.5
678	P	29.7	Very low	29.5	Very low	90 Å²	90	137.4 Å²	137.4	58%	0.584	78%	0.778	S	S	*	*			trans	-99.2	175.8	167.3	38	-33.1	0	0	0	113.4
679	N	28.2	Very low	30.1	Very low	141 Å²	141	136.6 Å²	136.6	75%	0.754	77%	0.773	S	S	*	*			trans	98.4	157.2	164.7	-55.7	-22	0	0	0	118.1
680	T	32.4	Very low	30.4	Very low	128 Å²	128	137 Å²	137	79%	0.785	78%	0.781	S	S	*	*			trans	80.7	131.9	-179.9	77	0	0	0	0	116.1
681	H	29.6	Very low	30.8	Very low	174 Å²	174	134.4 Å²	134.4	81%	0.806	78%	0.777	S	S	*	*			cis	-165.3	176.1	-26.2	-124	-78.5	0	0	0	108.6
682	I	29.7	Very low	31.2	Very low	158 Å²	158	132.6 Å²	132.6	81%	0.81	77%	0.771	S	S	*	*			trans	74.8	132	167.5	-44.2	-169.2	0	0	0	114.9
683	S	35.5	Very low	31.4	Very low	107 Å²	107	134.3 Å²	134.3	75%	0.748	77%	0.774	S	S	*	*			cis	-148.6	166.2	-8.9	43.6	0	0	0	0	112.1
684	N	28.5	Very low	31.6	Very low	151 Å²	151	132 Å²	132	81%	0.807	76%	0.759	S	S	*	*			trans	-84	162.2	-178.3	-53.1	-41	0	0	0	113.6
685	I	34.1	Very low	31.5	Very low	156 Å²	156	134.8 Å²	134.8	80%	0.8	76%	0.758	S	S	*	*				178.6	127.7	110	-91.1	159.8	0	0	0	111.4
686	S	32.7	Very low	31.8	Very low	109 Å²	109	133.9 Å²	133.9	76%	0.762	76%	0.757	S	S	*	*			trans	46.2	144.8	151.5	-61.5	0	0	0	0	122.7
687	S	34.7	Very low	32	Very low	94 Å²	94	129 Å²	129	66%	0.657	75%	0.749	S	S	*	*			cis	-172.8	148	-5.1	43.6	0	0	0	0	112.6
688	S	32.9	Very low	32	Very low	105 Å²	105	131.5 Å²	131.5	73%	0.734	75%	0.752	S	S	*	*			trans	58.8	147.9	154.1	46.8	0	0	0	0	119.6
689	T	36.5	Very low	32.1	Very low	126 Å²	126	132.7 Å²	132.7	77%	0.773	76%	0.763	S	S	*	*			cis	-159.2	114.9	3.1	8.4	0	0	0	0	105.6
690	S	34	Very low	32	Very low	115 Å²	115	136.2 Å²	136.2	80%	0.804	77%	0.766	S	S	*	*				93.7	126.5	66.4	71.4	0	0	0	0	114.8
691	G	35.4	Very low	32	Very low	66 Å²	66	138.1 Å²	138.1	68%	0.68	77%	0.769	S	S	*	*			trans	143.3	68.1	175	0	0	0	0	0	112.8
692	S	32.2	Very low	31.8	Very low	106 Å²	106	137.1 Å²	137.1	74%	0.741	77%	0.77	S	S	*	*				62.2	121.7	78.4	88.1	0	0	0	0	111.3
693	L	33.5	Very low	31.8	Very low	161 Å²	161	133.4 Å²	133.4	84%	0.843	77%	0.77	S	S	*	*				-171.3	171.7	52.3	-81.8	162.3	0	0	0	107.7
694	S	30.4	Very low	31.3	Very low	73 Å²	73	133.7 Å²	133.7	51%	0.51	77%	0.768	S	S	.	*			cis	-178.6	126.4	-17.5	162.8	0	0	0	0	112.3
695	R	29.6	Very low	31.2	Very low	224 Å²	224	137 Å²	137	85%	0.845	77%	0.77	S	S	*	*			trans	63.5	164.5	144.3	-61.6	174	-174.2	163.4	1.5	117.8
696	N	31.8	Very low	30.7	Very low	138 Å²	138	134.3 Å²	134.3	74%	0.738	77%	0.766	S	S	*	*			cis	-144.2	176.1	6.2	-139.7	-15	0	0	0	114.4
697	N	29.8	Very low	30.4	Very low	140 Å²	140	134.2 Å²	134.2	75%	0.749	77%	0.765	S	S	*	*			trans	-101.9	175.3	-169.3	-63.7	-86.9	0	0	0	115.1
698	K	30.2	Very low	30	Very low	199 Å²	199	134.3 Å²	134.3	87%	0.865	77%	0.766	S	S	*	*			trans	106.3	142.4	155.2	-61.8	173.6	-177.3	-179.4	0	115.4
699	S	31.8	Very low	29.7	Very low	115 Å²	115	136.4 Å²	136.4	80%	0.804	77%	0.769	S	S	*	*			cis	-161.4	159.9	-11.3	39.8	0	0	0	0	112.4
700	R	26.2	Very low	29.3	Very low	215 Å²	215	138.2 Å²	138.2	81%	0.811	77%	0.773	S	S	*	*			trans	-62.5	156.8	176.8	-61	172.8	173.4	170.4	-5.3	113.7
701	I	32.8	Very low	28.9	Very low	168 Å²	168	139.5 Å²	139.5	86%	0.862	77%	0.77	S	S	*	*				-154.1	149.6	117.9	-98.4	151.5	0	0	0	108.2
702	N	26.2	Very low	28.5	Very low	154 Å²	154	143 Å²	143	82%	0.824	77%	0.773	S	S	*	*			trans	-98.2	146.4	-178.4	-68.2	6	0	0	0	111.3
703	G	29.7	Very low	28.3	Very low	79 Å²	79	144.9 Å²	144.9	81%	0.814	78%	0.775	S	S	*	*			trans	-152.2	133.6	164.9	0	0	0	0	0	110
704	T	24.9	Very low	28.2	Very low	114 Å²	114	143.9 Å²	143.9	70%	0.699	77%	0.769	S	S	*	*			trans	-89.4	144	178.2	48.8	0	0	0	0	111.2
705	Y	25.8	Very low	28	Very low	220 Å²	220	149.6 Å²	149.6	86%	0.863	78%	0.784	S	S	*	*				173	160.4	121.1	-88.6	-59.6	0	0	0	112
706	S	24.7	Very low	28	Very low	100 Å²	100	148.7 Å²	148.7	70%	0.699	78%	0.782	S	S	*	*			trans	5.2	128.3	167	-62.9	0	0	0	0	122.4
707	S	25.4	Very low	27.9	Very low	106 Å²	106	148.1 Å²	148.1	74%	0.741	78%	0.779	S	S	*	*				64.5	146	122.7	-51.1	0	0	0	0	122.9
708	S	25.3	Very low	27.7	Very low	97 Å²	97	151.8 Å²	151.8	68%	0.678	78%	0.783	S	S	*	*			trans	76.8	131	153	15.8	0	0	0	0	120
709	D	27.3	Very low	27.6	Very low	149 Å²	149	148 Å²	148	80%	0.797	78%	0.781	S	S	*	*			trans	75	167.5	144.7	-51.2	-21	0	0	0	121.1
710	L	27.8	Very low	27.3	Very low	164 Å²	164	147.8 Å²	147.8	86%	0.859	78%	0.775	S	S	*	*			trans	72.5	111.8	-168.5	-55.5	177	0	0	0	113.7
711	L	26.1	Very low	27.5	Very low	142 Å²	142	143.8 Å²	143.8	74%	0.743	78%	0.775	S	S	*	*			cis	57	132.2	18.8	-66.6	169.3	0	0	0	114.6
712	D	27.6	Very low	27.3	Very low	138 Å²	138	141.6 Å²	141.6	74%	0.738	77%	0.77	S	S	*	*			cis	-104.8	-163.5	-3	-65.9	-83.5	0	0	0	111
713	D	28.6	Very low	27.2	Very low	147 Å²	147	142.6 Å²	142.6	79%	0.786	78%	0.775	S	S	*	*				-161.8	162	66.9	-144.2	-18.7	0	0	0	114.6
714	I	29.5	Very low	27.1	Very low	140 Å²	140	147.6 Å²	147.6	72%	0.718	78%	0.777	S	S	*	*			trans	63.1	86	165.1	-52.4	170.3	0	0	0	117
715	K	27.1	Very low	27.1	Very low	192 Å²	192	149.8 Å²	149.8	84%	0.835	78%	0.784	S	S	*	*			trans	-60.3	150.5	145.4	-58.4	153.7	-179.2	157.3	0	109.8
716	Y	29	Very low	27.2	Very low	205 Å²	205	146.1 Å²	146.1	80%	0.804	78%	0.778	S	S	*	*			trans	-156.8	132.7	140.3	-128.8	-91.8	0	0	0	112.3
717	N	30.6	Very low	27.3	Very low	127 Å²	127	147.8 Å²	147.8	68%	0.679	78%	0.784	S	S	*	*			trans	39.3	117.7	169.7	-60.7	-5.3	0	0	0	119.1
718	R	24.8	Very low	27.3	Very low	216 Å²	216	145.8 Å²	145.8	82%	0.815	78%	0.78	S	S	*	*			cis	62	103.6	25.4	-158	-168.3	-166.5	-159.1	5.9	115.3
719	S	29	Very low	27.5	Very low	119 Å²	119	149.3 Å²	149.3	83%	0.832	79%	0.791	S	S	*	*			trans	-145.1	118.8	152.1	-74.6	0	0	0	0	108.8
720	T	24.5	Very low	27.3	Very low	112 Å²	112	147.5 Å²	147.5	69%	0.687	79%	0.786	S	S	*	*			trans	-139.8	115.4	-179.4	47.5	0	0	0	0	109.9
721	T	30.2	Very low	27.4	Very low	131 Å²	131	147.7 Å²	147.7	80%	0.804	79%	0.786	S	S	*	*			trans	-156.2	136.9	177.5	48.9	0	0	0	0	108.3
722	T	28.9	Very low	27.3	Very low	122 Å²	122	146.5 Å²	146.5	75%	0.748	78%	0.781	S	S	*	*			cis	-162.9	138.4	-12.3	12.1	0	0	0	0	105.9
723	D	24.6	Very low	27.5	Very low	175 Å²	175	147.8 Å²	147.8	94%	0.936	79%	0.786	S	S	*	*			trans	-80	120.3	161.3	-83.4	-51.7	0	0	0	108.3
724	E	28.1	Very low	27.3	Very low	184 Å²	184	144.4 Å²	144.4	86%	0.86	77%	0.774	S	S	*	*			trans	-149.8	158.2	160.7	-144.9	161.8	-152.7	0	0	111.4
725	L	24.2	Very low	27	Very low	159 Å²	159	144 Å²	144	83%	0.832	77%	0.773	S	S	*	*			trans	-102.3	-165.7	-167.1	-70.1	151.3	0	0	0	111.3
726	I	27.6	Very low	27	Very low	144 Å²	144	141.1 Å²	141.1	74%	0.738	76%	0.763	S	S	*	*			trans	92.9	91	154.3	-59.1	161	0	0	0	117.5
727	T	26.5	Very low	26.9	Very low	134 Å²	134	138.3 Å²	138.3	82%	0.822	76%	0.757	S	S	*	*			trans	63.4	144.7	136.9	64.7	0	0	0	0	123.3
728	G	25.8	Very low	26.8	Very low	64 Å²	64	137.9 Å²	137.9	66%	0.66	75%	0.754	S	S	*	*			trans	99.8	134.4	157.4	0	0	0	0	0	114.5
729	N	29.3	Very low	26.9	Very low	172 Å²	172	133.5 Å²	133.5	92%	0.92	75%	0.747	S	S	*	*			cis	-139.2	150.5	2.2	-80.6	-36.7	0	0	0	113.1
730	T	24.4	Very low	26.9	Very low	111 Å²	111	135.3 Å²	135.3	68%	0.681	74%	0.742	S	S	*	*			trans	-69.3	146	176.4	-44.7	0	0	0	0	113
731	L	28.9	Very low	27.1	Very low	167 Å²	167	137.9 Å²	137.9	87%	0.874	74%	0.744	S	S	*	*			trans	-155.1	90.3	135.5	-131.2	76.6	0	0	0	106.7
732	D	24.9	Very low	27.1	Very low	117 Å²	117	138.5 Å²	138.5	63%	0.626	74%	0.737	S	S	*	*				59.1	108.7	99.7	-93.2	-48.5	0	0	0	115.1
733	I	30.3	Very low	27	Very low	165 Å²	165	139.1 Å²	139.1	85%	0.846	74%	0.736	S	S	*	*				-157.8	115.2	105.7	-94.5	156.3	0	0	0	109.6
734	S	24.1	Very low	27	Very low	76 Å²	76	137 Å²	137	53%	0.531	72%	0.722	S	S	.	*			trans	-34.2	162.8	152.2	20.1	0	0	0	0	114
735	N	25.1	Very low	27	Very low	132 Å²	132	133.2 Å²	133.2	71%	0.706	70%	0.703	S	S	*	*			cis	-174.9	175.2	12.6	-102.8	-20.6	0	0	0	104.8
736	Q	26.9	Very low	27.1	Very low	132 Å²	132	128.1 Å²	128.1	62%	0.617	68%	0.678	S	S	*	*			cis	-162.7	144.8	-3.5	-118.3	164.6	14.4	0	0	109.6
737	Q	26.8	Very low	27	Very low	146 Å²	146	124.9 Å²	124.9	68%	0.682	67%	0.669	S	S	*	*			trans	62.7	161	137.4	-69.5	169.7	9.9	0	0	124.3
738	N	28.2	Very low	26.9	Very low	117 Å²	117	124.3 Å²	124.3	63%	0.626	67%	0.665	S	S	*	*			trans	90.3	72.1	149.7	-63.1	-29.9	0	0	0	121.8
739	N	26.7	Very low	26.9	Very low	124 Å²	124	126 Å²	126	66%	0.663	67%	0.667	S	S	*	*				82.6	136.6	106.9	-72.6	-23.7	0	0	0	123.3
740	H	29.8	Very low	26.7	Very low	157 Å²	157	128.7 Å²	128.7	73%	0.727	66%	0.664	S	S	*	*			trans	82.4	96.5	141	-70	4.2	0	0	0	121.2
741	K	27.2	Very low	26.6	Very low	166 Å²	166	135 Å²	135	72%	0.722	68%	0.676	S	S	*	*				66.7	123.5	112.4	-89	-177.8	166.2	-179.6	0	121.3
742	H	29.9	Very low	26.5	Very low	144 Å²	144	132.3 Å²	132.3	67%	0.667	67%	0.666	S	S	*	*			trans	77.5	123.1	144	-63.1	-56.1	0	0	0	121.4
743	N	28.4	Very low	26.5	Very low	136 Å²	136	132.7 Å²	132.7	73%	0.727	67%	0.673	S	S	*	*			trans	53.4	117.5	136	-61.2	-3.8	0	0	0	121
744	M	24.2	Very low	26.3	Very low	130 Å²	130	132.9 Å²	132.9	64%	0.64	67%	0.67	S	S	*	*				27.2	133.8	116.1	-41.2	-160.4	169.8	0	0	118	K939	M744-K939 WeakPolarHBondContact CA-O 3.5Å; M744-K939 WeakPolarHBondContact CB-O 3.26Å; M744-K939 WeakPolarHBondContact CG-O 3.43Å
745	K	27.4	Very low	26.3	Very low	104 Å²	104	138.4 Å²	138.4	45%	0.452	68%	0.684	S	S	.	*				-165.7	163.1	68.7	-81.6	-172.3	148.8	-136.4	0	114.7	H937 K939	K745-H937 VanDerWaalsContact CB-C 3.48Å; K745-H937 HydrophobicContact CB-CB 3.42Å; K745-H937 VanDerWaalsContact CB-CB 3.42Å; K745-H937 WeakPolarHBondContact CD-O 3.46Å; K745-H937 WeakPolarHBondContact CE-O 3.37Å; K745-H937 HydrophobicContact CG-CB 4.47Å; K745-H937 WeakPolarHBondContact CG-O 3.41Å; K745-H937 PolarHBondContact NZ-O 3.36Å; K745-K939 VanDerWaalsContact C-N 3.26Å; K745-K939 VanDerWaalsContact CA-N 3.3Å; K745-K939 WeakPolarHBondContact O-CD 3.17Å; K745-K939 WeakPolarHBondContact O-CE 3.45Å; K745-K939 WeakPolarHBondContact O-CG 3.45Å; K745-K939 PolarHBondContact O-NZ 3.09Å
746	T	26.2	Very low	26.2	Very low	52 Å²	52	136.9 Å²	136.9	32%	0.319	68%	0.684	S	S	.	*			trans	-51	173.6	-149.5	43.3	0	0	0	0	121.1	H937 G938 K939	T746-H937 PolarHBondContact O-ND1 3.12Å; T746-H937 VanDerWaalsContact OG1-C 3.32Å; T746-H937 WeakPolarHBondContact OG1-CA 3.45Å; T746-H937 WeakPolarHBondContact OG1-CB 3.12Å; T746-G938 VanDerWaalsContact CB-N 3.33Å; T746-G938 PolarHBondContact OG1-N 3.4Å; T746-K939 VanDerWaalsContact CA-N 3.27Å; T746-K939 VanDerWaalsContact CG2-N 3.34Å
747	S	25.4	Very low	26.1	Very low	76 Å²	76	136.1 Å²	136.1	53%	0.531	69%	0.694	S	S	.	*			trans	96.7	152	142	-56.3	0	0	0	0	116.5
748	T	25.6	Very low	25.9	Very low	122 Å²	122	134.7 Å²	134.7	75%	0.748	70%	0.7	S	S	*	*			cis	-164.4	153.2	-29.6	27.1	0	0	0	0	108.5
749	S	24.5	Very low	25.8	Very low	101 Å²	101	135.7 Å²	135.7	71%	0.706	71%	0.71	S	S	*	*			trans	24	125.8	154	62.8	0	0	0	0	121.5
750	R	25	Very low	25.7	Very low	227 Å²	227	136.1 Å²	136.1	86%	0.857	72%	0.717	S	S	*	*			trans	-151.2	139.1	130.8	-155.4	164.1	-67.7	140.8	0.4	111.3
751	W	22.7	Very low	25.5	Very low	245 Å²	245	137.6 Å²	137.6	93%	0.928	72%	0.722	S	S	*	*			trans	-89.1	130.2	166.6	-73.7	49.2	0	0	0	108.4
752	T	26.5	Very low	25.2	Very low	109 Å²	109	137 Å²	137	67%	0.669	73%	0.727	S	S	*	*			trans	-144.8	105.5	164.3	42.3	0	0	0	0	111.1	H754	T752-H754 PolarHBondContact O-N 3.15Å
753	T	24.7	Very low	25	Very low	126 Å²	126	134.9 Å²	134.9	77%	0.773	72%	0.724	S	S	*	*			trans	-52	113.5	167.9	46.2	0	0	0	0	114.5
754	H	27.1	Very low	24.7	Very low	169 Å²	169	139.1 Å²	139.1	78%	0.782	73%	0.73	S	S	*	*			trans	-140.6	114.6	153.8	-60.5	-92.2	0	0	0	104.9	T752	T752-H754 PolarHBondContact O-N 3.15Å
755	K	23.9	Very low	24.9	Very low	191 Å²	191	139.9 Å²	139.9	83%	0.83	74%	0.736	S	S	*	*			cis	71.4	118.6	30.4	-146.9	-176.5	-173.4	-176.7	0	113.1
756	S	23.3	Very low	24.8	Very low	101 Å²	101	142.4 Å²	142.4	71%	0.706	76%	0.755	S	S	*	*			trans	73.6	91.1	168.1	-51.9	0	0	0	0	118.5
757	S	24.6	Very low	25	Very low	116 Å²	116	149.4 Å²	149.4	81%	0.811	78%	0.777	S	S	*	*			trans	-172	98.1	143.4	-77.4	0	0	0	0	106.9
758	S	23.2	Very low	25.3	Very low	116 Å²	116	153 Å²	153	81%	0.811	79%	0.79	S	S	*	*				72.2	41.7	58.5	-50.6	0	0	0	0	114.5
759	T	25.7	Very low	26.3	Very low	138 Å²	138	151 Å²	151	85%	0.847	78%	0.781	S	S	*	*			trans	-88.3	106.9	154.8	50.2	0	0	0	0	108.9
760	T	25.2	Very low	27.8	Very low	132 Å²	132	150 Å²	150	81%	0.81	77%	0.768	S	S	*	*			trans	-64.8	161.3	174.6	41.4	0	0	0	0	111.9	D762	T760-D762 PolarHBondContact O-N 2.99Å
761	F	23.9	Very low	29.8	Very low	189 Å²	189	140.6 Å²	140.6	83%	0.829	73%	0.734	S	S	*	*			trans	-48.6	135.7	159.1	-81	-109.3	0	0	0	109.8
762	D	22.6	Very low	31.8	Very low	154 Å²	154	132.5 Å²	132.5	82%	0.824	72%	0.715	S	S	*	*			trans	-117.5	120.9	151.3	-154.5	-20.4	0	0	0	108.2	T760 R764	T760-D762 PolarHBondContact O-N 2.99Å; D762-R764 PolarHBondContact O-N 2.95Å
763	T	24.7	Very low	34	Very low	99 Å²	99	127.3 Å²	127.3	61%	0.607	68%	0.683	S	S	*	*			trans	-94.3	95.3	-167.5	50.1	0	0	0	0	110.5
764	R	22.2	Very low	36.1	Very low	225 Å²	225	122 Å²	122	85%	0.849	65%	0.651	S	S	*	*			trans	178.7	107	152.1	-94.9	140.2	-173.2	154.8	-1	111.6	D762	D762-R764 PolarHBondContact O-N 2.95Å
765	N	27.7	Very low	38.4	Very low	145 Å²	145	114 Å²	114	78%	0.775	61%	0.614	S	S	*	*			trans	-178	135.4	133.7	-93.9	-27	0	0	0	110.2	Y767	N765-Y767 PolarHBondContact O-N 3.01Å; N765-Y767 VanDerWaalsContact O-N 3.07Å
766	D	25.3	Very low	40.7	Very low	158 Å²	158	105.8 Å²	105.8	85%	0.845	58%	0.581	S	S	*	*			trans	-81.3	87.3	-167.4	-64.3	-77.6	0	0	0	113.8
767	Y	32	Very low	42.9	Very low	198 Å²	198	101.3 Å²	101.3	78%	0.776	55%	0.549	S	S	*	.			trans	-115.2	80.2	164.1	-69.7	-71.9	0	0	0	110.6	N765 S769	N765-Y767 PolarHBondContact O-N 3.01Å; N765-Y767 VanDerWaalsContact O-N 3.07Å; Y767-S769 PolarHBondContact O-N 3.11Å
768	N	31.4	Very low	44.7	Very low	152 Å²	152	99.8 Å²	99.8	81%	0.813	53%	0.529	S	S	*	.			trans	-77	42.6	-178.4	-154.9	-3.1	0	0	0	112.4	N770	N768-N770 PolarHBondContact O-N 3.07Å
769	S	45.7	Very low	46	Very low	79 Å²	79	98.9 Å²	98.9	55%	0.552	51%	0.511	S	S	*	.			trans	-96.2	75.2	-169.7	56.4	0	0	0	0	111.9	Y767 L771 Y875	Y767-S769 PolarHBondContact O-N 3.11Å; S769-L771 PolarHBondContact O-N 3.08Å; S769-Y875 PolarHBondContact O-OH 2.97Å; S769-Y875 VanDerWaalsContact O-OH 3.11Å
770	N	57.3	Low	46.4	Very low	81 Å²	81	96.8 Å²	96.8	43%	0.433	50%	0.498	S	S	.	.			trans	-59.5	128.7	163.5	-66.2	-55.4	0	0	0	109.2	N768 S772 V827	N768-N770 PolarHBondContact O-N 3.07Å; N770-S772 PolarHBondContact O-N 3.22Å; N770-V827 CarbonylContact C-O 3.51Å; N770-V827 WeakPolarHBondContact CA-O 3.48Å
771	L	66.1	Low	46.7	Very low	29 Å²	29	94.7 Å²	94.7	15%	0.152	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	116.9	-178.6	178.6	62.4	0	0	0	110.2	S769 I773 L825 V827 F874 Y875 Y880 L894	S769-L771 PolarHBondContact O-N 3.08Å; L771-I773 HydrophobicContact CD2-CG2 3.94Å; L771-I773 HydrophobicContact CG-CG2 3.84Å; L771-I773 PolarHBondContact O-N 3.16Å; L771-L825 VanDerWaalsContact O-O 3.12Å; L771-V827 PolarHBondContact N-O 2.74Å; L771-V827 PolarHBondContact O-N 3.07Å; L771-F874 HydrophobicContact CD2-CE1 4.28Å; L771-Y875 HydrophobicContact CB-CE1 4.29Å; L771-Y875 HydrophobicContact CB-CE2 4.29Å; L771-Y875 VanDerWaalsContact CB-OH 3.31Å; L771-Y875 WeakPolarHBondContact CB-OH 3.44Å; L771-Y875 PolarHBondContact N-OH 3.22Å; L771-Y875 VanDerWaalsContact N-OH 3.08Å; L771-Y880 HydrophobicContact CD2-CE2 4.1Å; L771-L894 HydrophobicContact CD1-CD1 4.21Å; L771-L894 HydrophobicContact CD2-CD1 3.91Å; L771-L894 HydrophobicContact CG-CD1 4.49Å
772	S	65.6	Low	46.9	Very low	75 Å²	75	90.8 Å²	90.8	52%	0.524	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	96.4	173.2	58.3	0	0	0	0	110.6	N770 L825	N770-S772 PolarHBondContact O-N 3.22Å; S772-L825 CarbonylContact C-O 3.52Å; S772-L825 WeakPolarHBondContact CA-O 3.01Å
773	I	71.2	Confident	47.3	Very low	0 Å²	0	91.4 Å²	91.4	0%	0	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	159.8	173.8	69	170.6	0	0	0	111.5	L771 V775 Q824 L825 V827 V836 F874 F896	L771-I773 HydrophobicContact CD2-CG2 3.94Å; L771-I773 HydrophobicContact CG-CG2 3.84Å; L771-I773 PolarHBondContact O-N 3.16Å; I773-V775 HydrophobicContact CD1-CG2 3.46Å; I773-V775 VanDerWaalsContact CD1-CG2 3.46Å; I773-V775 HydrophobicContact CG1-CG2 3.82Å; I773-Q824 VanDerWaalsContact O-CA 3.31Å; I773-Q824 WeakPolarHBondContact O-CA 3.44Å; I773-L825 HydrophobicContact CD1-CB 4.27Å; I773-L825 HydrophobicContact CG1-CB 3.73Å; I773-L825 PolarHBondContact N-O 3.17Å; I773-L825 PolarHBondContact O-N 3.26Å; I773-V827 HydrophobicContact CD1-CG2 3.69Å; I773-V827 HydrophobicContact CG1-CG2 3.8Å; I773-V827 HydrophobicContact CG2-CG2 4.05Å; I773-V836 HydrophobicContact CD1-CG1 3.54Å; I773-F874 HydrophobicContact CD1-CE1 4.2Å; I773-F874 HydrophobicContact CD1-CE2 4.33Å; I773-F874 HydrophobicContact CD1-CZ 3.59Å; I773-F874 HydrophobicContact CG2-CE1 3.73Å; I773-F874 HydrophobicContact CG2-CZ 3.92Å; I773-F896 HydrophobicContact CB-CD2 3.83Å; I773-F896 HydrophobicContact CB-CE2 3.62Å; I773-F896 HydrophobicContact CD1-CD2 3.98Å; I773-F896 HydrophobicContact CD1-CE2 4.22Å; I773-F896 HydrophobicContact CG1-CD2 4.39Å; I773-F896 HydrophobicContact CG2-CD2 4.23Å; I773-F896 HydrophobicContact CG2-CE2 3.53Å; I773-F896 HydrophobicContact CG2-CZ 4.23Å
774	T	70.1	Confident	47.6	Very low	15 Å²	15	96.1 Å²	96.1	9%	0.092	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	119.3	174.1	-57.1	0	0	0	0	109.3	I822 Q824 L894 F896	T774-I822 HydrophobicContact CG2-CG2 3.34Å; T774-Q824 PolarHBondContact OG1-NE2 2.76Å; T774-L894 PolarHBondContact N-O 3.28Å; T774-F896 PolarHBondContact O-N 2.81Å
775	V	75.8	Confident	48	Very low	1 Å²	1	91.7 Å²	91.7	1%	0.006	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	136.8	-175.6	-169.8	0	0	0	0	111	I773 I822 I823 L825 A840 F844 L856 F896 C898	I773-V775 HydrophobicContact CD1-CG2 3.46Å; I773-V775 VanDerWaalsContact CD1-CG2 3.46Å; I773-V775 HydrophobicContact CG1-CG2 3.82Å; V775-I822 WeakPolarHBondContact O-CA 3.32Å; V775-I823 HydrophobicContact CB-CG1 4.24Å; V775-I823 PolarHBondContact N-O 3.17Å; V775-I823 PolarHBondContact O-N 3.45Å; V775-L825 HydrophobicContact CB-CD1 4.14Å; V775-L825 HydrophobicContact CG2-CD1 3.62Å; V775-A840 HydrophobicContact CG1-CB 4.25Å; V775-F844 HydrophobicContact CG1-CE2 4.13Å; V775-F844 HydrophobicContact CG1-CZ 4.38Å; V775-L856 HydrophobicContact CG1-CD1 4.1Å; V775-F896 CarbonylContact C-O 3.56Å; V775-F896 VanDerWaalsContact CA-O 3.27Å; V775-F896 WeakPolarHBondContact CA-O 3.43Å; V775-F896 HydrophobicContact CG2-CB 4.29Å; V775-C898 HydrophobicContact CG1-CB 4.24Å
776	S	72	Confident	48.2	Very low	19 Å²	19	89 Å²	89	13%	0.133	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	154.1	172.7	66.1	0	0	0	0	112.3	P821 F844 F896 C898	S776-P821 WeakPolarHBondContact CA-O 3.45Å; S776-F844 VanDerWaalsContact C-CZ 3.49Å; S776-F896 PolarHBondContact N-O 2.87Å; S776-C898 WeakPolarHBondContact O-CB 3.29Å; S776-C898 PolarHBondContact O-N 2.87Å
777	L	69	Low	48.4	Very low	7 Å²	7	91.7 Å²	91.7	4%	0.037	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	118.6	178.1	-170.8	72.3	0	0	0	111.6	H779 F791 P821 L841 F844 Y854 C898	L777-H779 PolarHBondContact O-N 3.14Å; L777-F791 HydrophobicContact CD2-CE1 4.18Å; L777-F791 HydrophobicContact CD2-CZ 3.9Å; L777-P821 HydrophobicContact CB-CG 4.15Å; L777-P821 PolarHBondContact N-O 3.38Å; L777-L841 HydrophobicContact CD1-CD2 4.33Å; L777-F844 HydrophobicContact CB-CD1 3.89Å; L777-F844 HydrophobicContact CB-CD2 3.85Å; L777-F844 HydrophobicContact CB-CE1 3.75Å; L777-F844 HydrophobicContact CB-CE2 3.7Å; L777-F844 HydrophobicContact CB-CG 3.96Å; L777-F844 HydrophobicContact CB-CZ 3.65Å; L777-F844 HydrophobicContact CD1-CD2 3.99Å; L777-F844 HydrophobicContact CD1-CE2 4.25Å; L777-F844 HydrophobicContact CD2-CB 4.05Å; L777-F844 HydrophobicContact CD2-CD1 4.43Å; L777-F844 HydrophobicContact CD2-CD2 4.31Å; L777-F844 HydrophobicContact CD2-CG 4.04Å; L777-F844 HydrophobicContact CG-CD2 4.27Å; L777-F844 HydrophobicContact CG-CE2 4.5Å; L777-F844 HydrophobicContact CG-CG 4.41Å; L777-Y854 HydrophobicContact CD1-CD1 4.38Å; L777-Y854 HydrophobicContact CD1-CE1 3.79Å; L777-C898 HydrophobicContact CD1-CB 3.92Å
778	H	61.5	Low	48.4	Very low	83 Å²	83	86.1 Å²	86.1	38%	0.384	48%	0.475	S	S	.	.			trans	-102.1	80.3	-176.9	-150	-78	0	0	0	112.1	Q820 I897 C898 T899 P900	H778-Q820 PolarHBondContact CD2-NE2 2.82Å; H778-Q820 PolarHBondContact CD2-OE1 3.48Å; H778-Q820 PolarHBondContact NE2-NE2 3.01Å; H778-Q820 VanDerWaalsContact NE2-NE2 3.1Å; H778-I897 HydrophobicContact CB-CG2 3.73Å; H778-C898 PolarHBondContact N-O 3.46Å; H778-T899 HydrophobicContact CB-CG2 4.17Å; H778-P900 WeakPolarHBondContact O-CD 3.19Å
779	H	50.5	Low	48.4	Very low	97 Å²	97	80.2 Å²	80.2	45%	0.449	45%	0.446	S	S	.	.			trans	-92.2	120.2	-177.1	-167.8	68.3	0	0	0	113.3	L777 N781	L777-H779 PolarHBondContact O-N 3.14Å; H779-N781 PolarHBondContact O-N 3.09Å; H779-N781 VanDerWaalsContact O-N 3.11Å
780	T	35.7	Very low	47.9	Very low	94 Å²	94	81.8 Å²	81.8	58%	0.577	46%	0.455	S	S	*	.			trans	-80.1	85.1	175.9	50.6	0	0	0	0	111	S782	T780-S782 PolarHBondContact O-N 3.11Å
781	N	31	Very low	46.8	Very low	89 Å²	89	81 Å²	81	48%	0.476	45%	0.448	S	S	.	.			trans	-71	91.7	-176.3	-170.8	39.2	0	0	0	112.7	H779 Q783	H779-N781 PolarHBondContact O-N 3.09Å; H779-N781 VanDerWaalsContact O-N 3.11Å; N781-Q783 PolarHBondContact O-N 3.11Å
782	S	27.6	Very low	45.5	Very low	106 Å²	106	82.6 Å²	82.6	74%	0.741	46%	0.455	S	S	*	.			trans	-97.2	66.2	-178.6	52.3	0	0	0	0	113.3	T780	T780-S782 PolarHBondContact O-N 3.11Å
783	Q	31.6	Very low	44	Very low	168 Å²	168	80.7 Å²	80.7	79%	0.785	44%	0.444	S	S	*	.			trans	-130	147.1	161	-74.4	-157.7	-17	0	0	111.7	N781	N781-Q783 PolarHBondContact O-N 3.11Å
784	H	30.4	Very low	42.3	Very low	197 Å²	197	88 Å²	88	91%	0.912	48%	0.476	S	S	*	.			trans	-96.3	-2.8	-159.3	-124.1	-68.1	0	0	0	115
785	D	31.1	Very low	40.7	Very low	133 Å²	133	88.7 Å²	88.7	71%	0.711	48%	0.48	S	S	*	.	S	Bend	trans	-97	146.5	178.1	-94.5	-47.1	0	0	0	112.3	R787	D785-R787 PolarHBondContact O-N 2.87Å
786	G	31.6	Very low	38.8	Very low	88 Å²	88	91.5 Å²	91.5	91%	0.907	50%	0.504	S	S	*	.	S	Bend	trans	-70.1	23.7	-178.6	0	0	0	0	0	116.2
787	R	30.1	Very low	37	Very low	215 Å²	215	96 Å²	96	81%	0.811	52%	0.522	S	S	*	.			trans	-90.5	114.3	177.3	-64.9	-177.3	-179.5	-170	0.4	109.4	D785 S789	D785-R787 PolarHBondContact O-N 2.87Å; R787-S789 PolarHBondContact O-N 2.64Å
788	V	30.3	Very low	35.5	Very low	80 Å²	80	100.6 Å²	100.6	49%	0.485	55%	0.546	S	S	.	.			trans	-57.5	127.9	169	-180	0	0	0	0	108.1	I792	V788-I792 HydrophobicContact CG1-CB 3.93Å; V788-I792 HydrophobicContact CG1-CG2 3.93Å
789	S	33.2	Very low	34.4	Very low	29 Å²	29	100.2 Å²	100.2	20%	0.203	56%	0.564	C	S	.	*			trans	-64.8	144.2	-176.8	66.1	0	0	0	0	110.8	R787 F791 I792 A793	R787-S789 PolarHBondContact O-N 2.64Å; S789-F791 PolarHBondContact O-N 3.36Å; S789-I792 PolarHBondContact O-N 3.14Å; S789-A793 PolarHBondContact O-N 2.91Å
790	P	33.4	Very low	33.5	Very low	112 Å²	112	100.3 Å²	100.3	73%	0.727	58%	0.576	S	S	*	*	H	α-helix	trans	-54.9	-27.2	177.5	-27.5	35.4	0	0	0	113.2	A793 K794	P790-A793 PolarHBondContact O-N 2.91Å; P790-K794 VanDerWaalsContact O-CB 3.31Å; P790-K794 WeakPolarHBondContact O-CB 3.21Å; P790-K794 PolarHBondContact O-N 3.18Å
791	F	35.4	Very low	33.2	Very low	65 Å²	65	102.4 Å²	102.4	29%	0.285	58%	0.583	S	S	.	*	H	α-helix	trans	-57.9	-51.2	173.5	-176.9	-101.1	0	0	0	112.8	L777 S789 A793 K794 V795 F844 C846	L777-F791 HydrophobicContact CD2-CE1 4.18Å; L777-F791 HydrophobicContact CD2-CZ 3.9Å; S789-F791 PolarHBondContact O-N 3.36Å; F791-A793 VanDerWaalsContact C-N 3.33Å; F791-A793 PolarHBondContact O-N 3.11Å; F791-K794 PolarHBondContact O-N 3.04Å; F791-V795 HydrophobicContact CD1-CG2 4.39Å; F791-V795 HydrophobicContact CD2-CG2 4.33Å; F791-V795 HydrophobicContact CE1-CG2 4.04Å; F791-V795 HydrophobicContact CE2-CG2 3.97Å; F791-V795 HydrophobicContact CZ-CG2 3.81Å; F791-V795 WeakPolarHBondContact O-CG2 3.38Å; F791-V795 PolarHBondContact O-N 3.19Å; F791-F844 WeakPolarHBondContact CE2-O 2.97Å; F791-F844 VanDerWaalsContact CZ-O 3.28Å; F791-F844 WeakPolarHBondContact CZ-O 3.17Å; F791-C846 WeakPolarHBondContact CE2-SG 3.29Å; F791-C846 WeakPolarHBondContact CZ-SG 3.33Å
792	I	37.8	Very low	33.3	Very low	61 Å²	61	102.8 Å²	102.8	31%	0.313	59%	0.593	S	S	.	*	H	α-helix	trans	-64	-40	-179.9	-68.9	178.9	0	0	0	111	V788 S789 K794 A796	V788-I792 HydrophobicContact CG1-CB 3.93Å; V788-I792 HydrophobicContact CG1-CG2 3.93Å; S789-I792 PolarHBondContact O-N 3.14Å; I792-K794 PolarHBondContact O-N 2.82Å; I792-A796 VanDerWaalsContact O-CB 3.29Å; I792-A796 WeakPolarHBondContact O-CB 3.44Å; I792-A796 PolarHBondContact O-N 2.63Å
793	A	34	Very low	33.4	Very low	36 Å²	36	106.8 Å²	106.8	30%	0.298	60%	0.599	S	S	.	*	H	α-helix	trans	-62	-43	174.8	0	0	0	0	0	112.1	S789 P790 F791 H797	S789-A793 PolarHBondContact O-N 2.91Å; P790-A793 PolarHBondContact O-N 2.91Å; F791-A793 VanDerWaalsContact C-N 3.33Å; F791-A793 PolarHBondContact O-N 3.11Å; A793-H797 PolarHBondContact O-CD2 2.96Å; A793-H797 VanDerWaalsContact O-CD2 3.26Å; A793-H797 PolarHBondContact O-N 3.27Å; A793-H797 VanDerWaalsContact O-N 3.13Å
794	K	36.2	Very low	33.2	Very low	154 Å²	154	102.5 Å²	102.5	67%	0.67	60%	0.6	S	S	*	*	H	α-helix	trans	-71	-38.7	-178.3	-157.1	170.4	-172.5	-179.5	0	112.6	P790 F791 I792 H797 L798	P790-K794 VanDerWaalsContact O-CB 3.31Å; P790-K794 WeakPolarHBondContact O-CB 3.21Å; P790-K794 PolarHBondContact O-N 3.18Å; F791-K794 PolarHBondContact O-N 3.04Å; I792-K794 PolarHBondContact O-N 2.82Å; K794-H797 PolarHBondContact O-N 3.26Å; K794-L798 WeakPolarHBondContact O-CG 3.35Å; K794-L798 PolarHBondContact O-N 3.03Å
795	V	35.9	Very low	33.1	Very low	28 Å²	28	98.9 Å²	98.9	17%	0.17	60%	0.597	C	S	.	*	H	α-helix	trans	-69.9	-37.8	175.5	175.7	0	0	0	0	111.5	F791 H797 L798 G799 P821 F844	F791-V795 HydrophobicContact CD1-CG2 4.39Å; F791-V795 HydrophobicContact CD2-CG2 4.33Å; F791-V795 HydrophobicContact CE1-CG2 4.04Å; F791-V795 HydrophobicContact CE2-CG2 3.97Å; F791-V795 HydrophobicContact CZ-CG2 3.81Å; F791-V795 WeakPolarHBondContact O-CG2 3.38Å; F791-V795 PolarHBondContact O-N 3.19Å; V795-H797 VanDerWaalsContact C-N 3.33Å; V795-H797 PolarHBondContact O-N 3.37Å; V795-L798 PolarHBondContact O-N 3Å; V795-G799 PolarHBondContact O-N 2.91Å; V795-P821 HydrophobicContact CG1-CB 3.67Å; V795-P821 HydrophobicContact CG1-CG 4.45Å; V795-F844 WeakPolarHBondContact CG2-O 3.38Å
796	A	35.9	Very low	33.1	Very low	61 Å²	61	101.8 Å²	101.8	50%	0.504	61%	0.606	S	S	.	*	H	α-helix	trans	-61.9	-38.4	173.1	0	0	0	0	0	112.7	I792 S800	I792-A796 VanDerWaalsContact O-CB 3.29Å; I792-A796 WeakPolarHBondContact O-CB 3.44Å; I792-A796 PolarHBondContact O-N 2.63Å; A796-S800 PolarHBondContact O-OG 2.77Å
797	H	34.9	Very low	32.9	Very low	114 Å²	114	100.9 Å²	100.9	53%	0.528	60%	0.597	S	S	.	*	H	α-helix	trans	-66.4	-41.1	172.7	-86.4	-66.6	0	0	0	112.9	A793 K794 V795 S800	A793-H797 PolarHBondContact O-CD2 2.96Å; A793-H797 VanDerWaalsContact O-CD2 3.26Å; A793-H797 PolarHBondContact O-N 3.27Å; A793-H797 VanDerWaalsContact O-N 3.13Å; K794-H797 PolarHBondContact O-N 3.26Å; V795-H797 VanDerWaalsContact C-N 3.33Å; V795-H797 PolarHBondContact O-N 3.37Å; H797-S800 PolarHBondContact O-N 3.3Å
798	L	38.1	Very low	33	Very low	103 Å²	103	99.7 Å²	99.7	54%	0.539	60%	0.6	S	S	.	*	H	α-helix	trans	-66.8	-39.5	178.9	-73.3	166.6	0	0	0	112.5	K794 V795 S800 L801	K794-L798 WeakPolarHBondContact O-CG 3.35Å; K794-L798 PolarHBondContact O-N 3.03Å; V795-L798 PolarHBondContact O-N 3Å; L798-S800 PolarHBondContact O-N 3.22Å; L798-L801 PolarHBondContact O-N 3.43Å
799	G	38	Very low	32.9	Very low	74 Å²	74	102.6 Å²	102.6	76%	0.763	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	-8.8	176.5	0	0	0	0	0	115.2	V795	V795-G799 PolarHBondContact O-N 2.91Å
800	S	32.2	Very low	32.8	Very low	99 Å²	99	109.2 Å²	109.2	69%	0.692	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	5.3	179.8	-55.2	0	0	0	0	113.8	A796 H797 L798	A796-S800 PolarHBondContact O-OG 2.77Å; H797-S800 PolarHBondContact O-N 3.3Å; L798-S800 PolarHBondContact O-N 3.22Å
801	L	28.4	Very low	32.6	Very low	139 Å²	139	110.7 Å²	110.7	73%	0.728	65%	0.648	S	S	*	*			trans	-115.3	70.4	-172.4	-73.8	171.8	0	0	0	112.6	L798	L798-L801 PolarHBondContact O-N 3.43Å
802	S	32.4	Very low	32.4	Very low	97 Å²	97	116.5 Å²	116.5	68%	0.678	68%	0.675	S	S	*	*	S	Bend	trans	-141.4	114.7	169.6	-179.4	0	0	0	0	110.3
803	H	31	Very low	31.8	Very low	190 Å²	190	122.2 Å²	122.2	88%	0.88	70%	0.698	S	S	*	*	S	Bend	trans	52.2	99	172.9	-62	-73.9	0	0	0	119.5
804	G	26.4	Very low	31.5	Very low	77 Å²	77	125 Å²	125	79%	0.794	72%	0.715	S	S	*	*				127.4	112.9	127.8	0	0	0	0	0	119.1
805	S	29.9	Very low	31.1	Very low	121 Å²	121	126.5 Å²	126.5	85%	0.846	73%	0.725	S	S	*	*			trans	72.8	124.9	158.4	-164.5	0	0	0	0	119.6
806	H	29.7	Very low	30.8	Very low	194 Å²	194	130.2 Å²	130.2	90%	0.898	75%	0.751	S	S	*	*			trans	-44.3	155.8	172.6	-49.2	-48.6	0	0	0	117.1
807	G	28.6	Very low	30.7	Very low	70 Å²	70	135.9 Å²	135.9	72%	0.722	77%	0.765	S	S	*	*			trans	159.6	81.3	148.7	0	0	0	0	0	118
808	H	32.4	Very low	30.6	Very low	190 Å²	190	138 Å²	138	88%	0.88	78%	0.775	S	S	*	*			trans	61.6	141.4	163.1	-90.2	-90.2	0	0	0	120.7
809	N	27.4	Very low	30.7	Very low	140 Å²	140	139.3 Å²	139.3	75%	0.749	79%	0.788	S	S	*	*			trans	-75.4	150.8	175.2	-42.3	-46.1	0	0	0	111.2
810	D	31.1	Very low	31.3	Very low	168 Å²	168	140.3 Å²	140.3	90%	0.898	77%	0.772	S	S	*	*			trans	-155.7	144.8	136	-108.6	-32.6	0	0	0	111.4
811	N	28.5	Very low	32.3	Very low	144 Å²	144	137.5 Å²	137.5	77%	0.77	75%	0.752	S	S	*	*			trans	-99.1	103.6	-168.4	-75	-57.3	0	0	0	112.9
812	H	30.9	Very low	34	Very low	186 Å²	186	136.3 Å²	136.3	86%	0.861	75%	0.745	S	S	*	*			trans	-148.9	98.8	159	-91.1	-66.3	0	0	0	112.7	S814	H812-S814 PolarHBondContact O-N 3.3Å
813	F	25.3	Very low	35.9	Very low	181 Å²	181	133.2 Å²	133.2	79%	0.794	72%	0.72	S	S	*	*			trans	-67.5	126.5	167.1	-99.1	-96.2	0	0	0	110.4
814	S	27.4	Very low	38	Very low	94 Å²	94	130.2 Å²	130.2	66%	0.657	71%	0.707	S	S	*	*			trans	-130.4	145.9	166.1	62.5	0	0	0	0	110	H812 S816	H812-S814 PolarHBondContact O-N 3.3Å; S814-S816 PolarHBondContact O-N 3.42Å
815	H	28.4	Very low	40.3	Very low	187 Å²	187	127 Å²	127	87%	0.866	67%	0.672	S	S	*	*			trans	-75.2	95.1	-171.7	-72.9	-79.1	0	0	0	112.1
816	S	29.4	Very low	42.4	Very low	105 Å²	105	125.2 Å²	125.2	73%	0.734	66%	0.659	S	S	*	*			trans	-72.7	157.9	163.5	54.9	0	0	0	0	111.4	S814 Q818	S814-S816 PolarHBondContact O-N 3.42Å; S816-Q818 PolarHBondContact O-N 2.63Å
817	K	33.7	Very low	44.6	Very low	181 Å²	181	116.1 Å²	116.1	79%	0.787	62%	0.617	S	S	*	*			trans	-61.9	133.8	174.9	-68.1	178.4	179.5	176.6	0	109.5	T819	K817-T819 PolarHBondContact O-N 2.94Å
818	Q	33.3	Very low	46.8	Very low	158 Å²	158	114.5 Å²	114.5	74%	0.738	60%	0.595	S	S	*	*			trans	-65.2	102	174.5	-71.7	174	-36.8	0	0	110.5	S816	S816-Q818 PolarHBondContact O-N 2.63Å
819	T	39.8	Very low	48.8	Very low	131 Å²	131	108.7 Å²	108.7	80%	0.804	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-68.8	141.1	155.2	42.1	0	0	0	0	108.6	K817	K817-T819 PolarHBondContact O-N 2.94Å
820	Q	51.4	Low	51.3	Low	94 Å²	94	107.6 Å²	107.6	44%	0.439	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-67.7	142.2	168.1	-68	-168.7	-3.1	0	0	108.7	H778 I822	H778-Q820 PolarHBondContact CD2-NE2 2.82Å; H778-Q820 PolarHBondContact CD2-OE1 3.48Å; H778-Q820 PolarHBondContact NE2-NE2 3.01Å; H778-Q820 VanDerWaalsContact NE2-NE2 3.1Å; Q820-I822 PolarHBondContact O-N 3.33Å
821	P	53.8	Low	53.7	Low	40 Å²	40	100.3 Å²	100.3	26%	0.26	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-67.8	128.2	176.5	30.1	-34.4	0	0	0	109	S776 L777 V795 F844	S776-P821 WeakPolarHBondContact CA-O 3.45Å; L777-P821 HydrophobicContact CB-CG 4.15Å; L777-P821 PolarHBondContact N-O 3.38Å; V795-P821 HydrophobicContact CG1-CB 3.67Å; V795-P821 HydrophobicContact CG1-CG 4.45Å; P821-F844 HydrophobicContact CB-CD1 4.18Å; P821-F844 HydrophobicContact CB-CE1 4.01Å; P821-F844 HydrophobicContact CG-CD1 4.29Å; P821-F844 HydrophobicContact CG-CE1 4.15Å; P821-F844 WeakPolarHBondContact O-CE1 3.26Å
822	I	63.9	Low	56.5	Low	114 Å²	114	94.7 Å²	94.7	59%	0.585	51%	0.505	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	135.2	177.8	-64.7	167.3	0	0	0	107.4	T774 V775 Q820	T774-I822 HydrophobicContact CG2-CG2 3.34Å; V775-I822 WeakPolarHBondContact O-CA 3.32Å; Q820-I822 PolarHBondContact O-N 3.33Å
823	I	72.5	Confident	59	Low	33 Å²	33	85.8 Å²	85.8	17%	0.169	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	142.5	175.3	52.2	176.4	0	0	0	109.3	V775 L825 A840 L843 F844	V775-I823 HydrophobicContact CB-CG1 4.24Å; V775-I823 PolarHBondContact N-O 3.17Å; V775-I823 PolarHBondContact O-N 3.45Å; I823-L825 HydrophobicContact CD1-CD1 3.99Å; I823-L825 HydrophobicContact CG1-CD1 4.33Å; I823-A840 HydrophobicContact CD1-CB 4.21Å; I823-L843 HydrophobicContact CD1-CB 3.56Å; I823-L843 HydrophobicContact CD1-CD1 4.09Å; I823-L843 HydrophobicContact CD1-CG 4.49Å; I823-L843 HydrophobicContact CG2-CB 4.43Å; I823-F844 HydrophobicContact CD1-CD1 4.07Å; I823-F844 HydrophobicContact CD1-CD2 3.78Å; I823-F844 HydrophobicContact CD1-CE1 3.84Å; I823-F844 HydrophobicContact CD1-CE2 3.54Å; I823-F844 HydrophobicContact CD1-CG 4.03Å; I823-F844 HydrophobicContact CD1-CZ 3.57Å; I823-F844 HydrophobicContact CG1-CD1 4.41Å; I823-F844 HydrophobicContact CG1-CE1 3.75Å; I823-F844 HydrophobicContact CG1-CE2 3.99Å; I823-F844 HydrophobicContact CG1-CZ 3.5Å; I823-F844 HydrophobicContact CG2-CD1 4.39Å; I823-F844 HydrophobicContact CG2-CE1 4.14Å
824	Q	74	Confident	61.9	Low	127 Å²	127	78.5 Å²	78.5	59%	0.593	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	140.4	167.3	-67.3	-162	-46.6	0	0	110.1	I773 T774	I773-Q824 VanDerWaalsContact O-CA 3.31Å; I773-Q824 WeakPolarHBondContact O-CA 3.44Å; T774-Q824 PolarHBondContact OG1-NE2 2.76Å
825	L	76.1	Confident	64.7	Low	10 Å²	10	77.4 Å²	77.4	5%	0.052	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	124.5	-174.5	-90.3	154.9	0	0	0	109.6	L771 S772 I773 V775 I823 V827 K839 A840 L843	L771-L825 VanDerWaalsContact O-O 3.12Å; S772-L825 CarbonylContact C-O 3.52Å; S772-L825 WeakPolarHBondContact CA-O 3.01Å; I773-L825 HydrophobicContact CD1-CB 4.27Å; I773-L825 HydrophobicContact CG1-CB 3.73Å; I773-L825 PolarHBondContact N-O 3.17Å; I773-L825 PolarHBondContact O-N 3.26Å; V775-L825 HydrophobicContact CB-CD1 4.14Å; V775-L825 HydrophobicContact CG2-CD1 3.62Å; I823-L825 HydrophobicContact CD1-CD1 3.99Å; I823-L825 HydrophobicContact CG1-CD1 4.33Å; L825-V827 PolarHBondContact O-N 2.7Å; L825-K839 HydrophobicContact CD2-CB 3.53Å; L825-A840 HydrophobicContact CD1-CB 3.67Å; L825-L843 HydrophobicContact CD2-CD1 3.62Å; L825-L843 HydrophobicContact CG-CD1 3.94Å
826	S	72.8	Confident	67.4	Low	83 Å²	83	68.6 Å²	68.6	58%	0.58	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	112.4	165.6	42.6	0	0	0	0	109.4
827	V	76.6	Confident	70	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.012	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	132.3	173.6	-169.3	0	0	0	0	109.4	N770 L771 I773 L825 D831 V836 F874 Y875	N770-V827 CarbonylContact C-O 3.51Å; N770-V827 WeakPolarHBondContact CA-O 3.48Å; L771-V827 PolarHBondContact N-O 2.74Å; L771-V827 PolarHBondContact O-N 3.07Å; I773-V827 HydrophobicContact CD1-CG2 3.69Å; I773-V827 HydrophobicContact CG1-CG2 3.8Å; I773-V827 HydrophobicContact CG2-CG2 4.05Å; L825-V827 PolarHBondContact O-N 2.7Å; V827-D831 WeakPolarHBondContact CA-OD2 3.42Å; V827-D831 HydrophobicContact CG1-CB 3.72Å; V827-D831 WeakPolarHBondContact CG1-OD2 3.39Å; V827-V836 HydrophobicContact CB-CG2 4.39Å; V827-V836 HydrophobicContact CG1-CG2 3.58Å; V827-V836 HydrophobicContact CG2-CG1 4.33Å; V827-V836 HydrophobicContact CG2-CG2 3.87Å; V827-F874 HydrophobicContact CB-CD1 4.12Å; V827-F874 HydrophobicContact CB-CE1 4.23Å; V827-F874 HydrophobicContact CG1-CB 4.09Å; V827-F874 HydrophobicContact CG1-CD1 3.52Å; V827-F874 HydrophobicContact CG1-CE1 4.09Å; V827-F874 HydrophobicContact CG1-CG 3.96Å; V827-F874 HydrophobicContact CG2-CD1 4.12Å; V827-F874 HydrophobicContact CG2-CE1 3.81Å; V827-F874 HydrophobicContact CG2-CZ 4.35Å; V827-Y875 HydrophobicContact CG1-CE2 4.21Å; V827-Y875 PolarHBondContact O-OH 3.39Å
828	S	75.2	Confident	72.5	Confident	37 Å²	37	57.7 Å²	57.7	26%	0.259	33%	0.328	S	S	.	.			trans	-87.4	148	174.4	-167.3	0	0	0	0	110.3	V830 D831	S828-V830 PolarHBondContact O-N 3.48Å; S828-D831 PolarHBondContact N-OD2 2.84Å; S828-D831 WeakPolarHBondContact O-CB 3.26Å; S828-D831 PolarHBondContact O-N 3.48Å
829	P	72.8	Confident	75	Confident	68 Å²	68	53.8 Å²	53.8	44%	0.442	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-16.4	176.4	-29.5	37	0	0	0	116	N873 Y875	P829-N873 PolarHBondContact O-ND2 3.05Å; P829-Y875 HydrophobicContact CB-CE2 4.43Å; P829-Y875 HydrophobicContact CG-CE2 4.35Å
830	V	81.2	Confident	77	Confident	117 Å²	117	47.6 Å²	47.6	71%	0.709	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-6.1	178.4	-62.5	0	0	0	0	114.7	S828	S828-V830 PolarHBondContact O-N 3.48Å
831	D	80.4	Confident	78.5	Confident	14 Å²	14	43.3 Å²	43.3	8%	0.075	25%	0.25	C	S	.	.			trans	-68	135.3	-179.2	-72.4	-31.2	0	0	0	111.5	V827 S828 D835 V836 K839 F874	V827-D831 WeakPolarHBondContact CA-OD2 3.42Å; V827-D831 HydrophobicContact CG1-CB 3.72Å; V827-D831 WeakPolarHBondContact CG1-OD2 3.39Å; S828-D831 PolarHBondContact N-OD2 2.84Å; S828-D831 WeakPolarHBondContact O-CB 3.26Å; S828-D831 PolarHBondContact O-N 3.48Å; D831-D835 HydrophobicContact CB-CB 4.15Å; D831-V836 HydrophobicContact CB-CG2 4.11Å; D831-K839 IonicContact OD1-NZ 2.99Å; D831-K839 PolarHBondContact OD1-NZ 3.32Å; D831-K839 IonicContact OD2-NZ 2.69Å; D831-K839 PolarHBondContact OD2-NZ 3.17Å; D831-F874 WeakPolarHBondContact O-CB 3.49Å; D831-F874 PolarHBondContact O-N 3.11Å
832	S	86.8	Confident	79.8	Confident	26 Å²	26	48.8 Å²	48.8	18%	0.182	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-79.5	164.7	164.3	73.2	0	0	0	0	111.7	S834 D835 V836 F872	S832-S834 PolarHBondContact O-N 3.37Å; S832-S834 PolarHBondContact OG-N 3.33Å; S832-D835 VanDerWaalsContact CB-OD2 3.26Å; S832-D835 WeakPolarHBondContact CB-OD2 3.3Å; S832-D835 PolarHBondContact N-OD2 3.02Å; S832-D835 WeakPolarHBondContact O-CB 3.26Å; S832-D835 PolarHBondContact O-N 3.29Å; S832-D835 VanDerWaalsContact OG-CG 3.31Å; S832-D835 PolarHBondContact OG-N 2.95Å; S832-D835 VanDerWaalsContact OG-N 3.16Å; S832-D835 PolarHBondContact OG-OD2 3.06Å; S832-V836 PolarHBondContact O-N 3.14Å; S832-F872 CarbonylContact C-O 3.51Å; S832-F872 VanDerWaalsContact CA-O 3.28Å; S832-F872 WeakPolarHBondContact CA-O 3.19Å
833	V	84.5	Confident	80.6	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-55.9	-36.6	170.9	175.1	0	0	0	0	111.4	V836 L837 L856 L868 P869 F872 F874	V833-V836 PolarHBondContact O-N 3.15Å; V833-L837 HydrophobicContact CG1-CD1 4.25Å; V833-L837 WeakPolarHBondContact O-CB 3.32Å; V833-L837 WeakPolarHBondContact O-CG 3.49Å; V833-L837 PolarHBondContact O-N 3.39Å; V833-L856 HydrophobicContact CG1-CB 4.1Å; V833-L856 HydrophobicContact CG1-CD2 4.27Å; V833-L868 HydrophobicContact CB-CB 4.42Å; V833-L868 HydrophobicContact CG1-CB 3.73Å; V833-L868 HydrophobicContact CG2-CB 3.74Å; V833-L868 HydrophobicContact CG2-CD1 4.32Å; V833-P869 WeakPolarHBondContact CB-O 3.31Å; V833-P869 WeakPolarHBondContact CG2-O 3.26Å; V833-F872 PolarHBondContact N-O 3.43Å; V833-F874 HydrophobicContact CG2-CD2 4.23Å
834	S	86.3	Confident	80.7	Confident	27 Å²	27	46.5 Å²	46.5	19%	0.189	26%	0.259	C	S	.	.	H	α-helix	trans	-64.2	-35.8	171.8	-90.2	0	0	0	0	113.7	S832 L837 S838 K870	S832-S834 PolarHBondContact O-N 3.37Å; S832-S834 PolarHBondContact OG-N 3.33Å; S834-L837 PolarHBondContact O-N 3.04Å; S834-S838 VanDerWaalsContact O-CB 3.25Å; S834-S838 WeakPolarHBondContact O-CB 3.49Å; S834-S838 PolarHBondContact O-N 3.13Å; S834-K870 WeakPolarHBondContact CB-O 3.4Å; S834-K870 PolarHBondContact N-O 3.14Å; S834-K870 PolarHBondContact OG-O 3.31Å
835	D	86.8	Confident	80.7	Confident	72 Å²	72	42.4 Å²	42.4	39%	0.385	25%	0.251	S	S	.	.	H	α-helix	trans	-70.4	-39.8	176.6	-61.4	-60.8	0	0	0	111.1	D831 S832 S838 K839	D831-D835 HydrophobicContact CB-CB 4.15Å; S832-D835 VanDerWaalsContact CB-OD2 3.26Å; S832-D835 WeakPolarHBondContact CB-OD2 3.3Å; S832-D835 PolarHBondContact N-OD2 3.02Å; S832-D835 WeakPolarHBondContact O-CB 3.26Å; S832-D835 PolarHBondContact O-N 3.29Å; S832-D835 VanDerWaalsContact OG-CG 3.31Å; S832-D835 PolarHBondContact OG-N 2.95Å; S832-D835 VanDerWaalsContact OG-N 3.16Å; S832-D835 PolarHBondContact OG-OD2 3.06Å; D835-S838 PolarHBondContact O-N 3.28Å; D835-K839 WeakPolarHBondContact O-CB 3.48Å; D835-K839 VanDerWaalsContact O-CG 3.26Å; D835-K839 WeakPolarHBondContact O-CG 3.41Å; D835-K839 PolarHBondContact O-N 3.49Å
836	V	84.4	Confident	80.2	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.006	25%	0.251	C	S	.	.	H	α-helix	trans	-63.8	-43.8	173.3	179.1	0	0	0	0	111	I773 V827 D831 S832 V833 K839 A840 L856 F874	I773-V836 HydrophobicContact CD1-CG1 3.54Å; V827-V836 HydrophobicContact CB-CG2 4.39Å; V827-V836 HydrophobicContact CG1-CG2 3.58Å; V827-V836 HydrophobicContact CG2-CG1 4.33Å; V827-V836 HydrophobicContact CG2-CG2 3.87Å; D831-V836 HydrophobicContact CB-CG2 4.11Å; S832-V836 PolarHBondContact O-N 3.14Å; V833-V836 PolarHBondContact O-N 3.15Å; V836-K839 PolarHBondContact O-N 3.19Å; V836-A840 VanDerWaalsContact O-CB 3.29Å; V836-A840 WeakPolarHBondContact O-CB 3.45Å; V836-A840 PolarHBondContact O-N 2.68Å; V836-L856 HydrophobicContact CB-CD2 4.18Å; V836-L856 HydrophobicContact CG1-CD2 3.71Å; V836-F874 HydrophobicContact CB-CD2 4.16Å; V836-F874 HydrophobicContact CB-CE2 4.29Å; V836-F874 HydrophobicContact CG1-CD2 4.34Å; V836-F874 HydrophobicContact CG1-CE2 3.97Å; V836-F874 HydrophobicContact CG1-CZ 4.34Å; V836-F874 HydrophobicContact CG2-CB 4.14Å; V836-F874 HydrophobicContact CG2-CD1 4.38Å; V836-F874 HydrophobicContact CG2-CD2 3.7Å; V836-F874 HydrophobicContact CG2-CE2 4.12Å; V836-F874 HydrophobicContact CG2-CG 3.83Å
837	L	84.8	Confident	79.9	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.1	-44	172.1	-83.3	164.5	0	0	0	112.3	V833 S834 A840 L841 V851 Y854 L856 K870	V833-L837 HydrophobicContact CG1-CD1 4.25Å; V833-L837 WeakPolarHBondContact O-CB 3.32Å; V833-L837 WeakPolarHBondContact O-CG 3.49Å; V833-L837 PolarHBondContact O-N 3.39Å; S834-L837 PolarHBondContact O-N 3.04Å; L837-A840 PolarHBondContact O-N 2.93Å; L837-L841 WeakPolarHBondContact O-CB 3.43Å; L837-L841 VanDerWaalsContact O-CG 3.32Å; L837-L841 WeakPolarHBondContact O-CG 3.41Å; L837-L841 PolarHBondContact O-N 2.9Å; L837-V851 HydrophobicContact CB-CG1 3.72Å; L837-V851 HydrophobicContact CD1-CG1 3.86Å; L837-V851 HydrophobicContact CG-CG1 4.42Å; L837-Y854 WeakPolarHBondContact CD1-O 3.47Å; L837-L856 HydrophobicContact CD1-CB 4.1Å; L837-L856 HydrophobicContact CD2-CB 3.85Å; L837-L856 HydrophobicContact CD2-CD1 4.22Å; L837-L856 HydrophobicContact CG-CB 3.86Å; L837-L856 HydrophobicContact CG-CD2 4.45Å; L837-K870 HydrophobicContact CD1-CG 4.46Å
838	S	85.8	Confident	79.5	Confident	58 Å²	58	49 Å²	49	41%	0.406	29%	0.289	S	S	.	.	H	α-helix	trans	-61.5	-47.8	178.1	-176.9	0	0	0	0	111.4	S834 D835 A840 K842	S834-S838 VanDerWaalsContact O-CB 3.25Å; S834-S838 WeakPolarHBondContact O-CB 3.49Å; S834-S838 PolarHBondContact O-N 3.13Å; D835-S838 PolarHBondContact O-N 3.28Å; S838-A840 VanDerWaalsContact C-N 3.34Å; S838-A840 PolarHBondContact O-N 3.34Å; S838-K842 WeakPolarHBondContact O-CB 3.49Å; S838-K842 PolarHBondContact O-N 2.99Å
839	K	84.3	Confident	79.2	Confident	76 Å²	76	51.2 Å²	51.2	33%	0.33	30%	0.295	S	S	.	.	H	α-helix	trans	-61.3	-41.7	174.4	-66.4	171.9	-167.1	-176.5	0	111.5	L825 D831 D835 V836 L843	L825-K839 HydrophobicContact CD2-CB 3.53Å; D831-K839 IonicContact OD1-NZ 2.99Å; D831-K839 PolarHBondContact OD1-NZ 3.32Å; D831-K839 IonicContact OD2-NZ 2.69Å; D831-K839 PolarHBondContact OD2-NZ 3.17Å; D835-K839 WeakPolarHBondContact O-CB 3.48Å; D835-K839 VanDerWaalsContact O-CG 3.26Å; D835-K839 WeakPolarHBondContact O-CG 3.41Å; D835-K839 PolarHBondContact O-N 3.49Å; V836-K839 PolarHBondContact O-N 3.19Å; K839-L843 WeakPolarHBondContact O-CB 3.36Å; K839-L843 WeakPolarHBondContact O-CG 3.42Å; K839-L843 PolarHBondContact O-N 3.3Å
840	A	83.3	Confident	79.3	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-64.1	-53.5	177.5	0	0	0	0	0	112.7	V775 I823 L825 V836 L837 S838 K842 L843 F844	V775-A840 HydrophobicContact CG1-CB 4.25Å; I823-A840 HydrophobicContact CD1-CB 4.21Å; L825-A840 HydrophobicContact CD1-CB 3.67Å; V836-A840 VanDerWaalsContact O-CB 3.29Å; V836-A840 WeakPolarHBondContact O-CB 3.45Å; V836-A840 PolarHBondContact O-N 2.68Å; L837-A840 PolarHBondContact O-N 2.93Å; S838-A840 VanDerWaalsContact C-N 3.34Å; S838-A840 PolarHBondContact O-N 3.34Å; A840-K842 PolarHBondContact O-N 3.05Å; A840-L843 PolarHBondContact O-N 3.19Å; A840-L843 VanDerWaalsContact O-N 3.17Å; A840-F844 HydrophobicContact CB-CD2 4.34Å; A840-F844 HydrophobicContact CB-CE2 4.19Å; A840-F844 WeakPolarHBondContact O-CD2 3.48Å; A840-F844 WeakPolarHBondContact O-CG 3.5Å; A840-F844 PolarHBondContact O-N 3.41Å
841	L	82.3	Confident	79.1	Confident	4 Å²	4	50.4 Å²	50.4	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-59.8	-37	178.3	-69	171.3	0	0	0	111.6	L777 L837 F844 G845 C846 V851 Y854	L777-L841 HydrophobicContact CD1-CD2 4.33Å; L837-L841 WeakPolarHBondContact O-CB 3.43Å; L837-L841 VanDerWaalsContact O-CG 3.32Å; L837-L841 WeakPolarHBondContact O-CG 3.41Å; L837-L841 PolarHBondContact O-N 2.9Å; L841-F844 PolarHBondContact O-N 3.37Å; L841-G845 PolarHBondContact O-N 3.14Å; L841-C846 HydrophobicContact CB-CB 4.25Å; L841-C846 HydrophobicContact CD2-CB 3.85Å; L841-C846 CarbonylContact O-C 3.55Å; L841-C846 WeakPolarHBondContact O-CA 3.36Å; L841-C846 PolarHBondContact O-N 2.84Å; L841-V851 HydrophobicContact CD1-CG2 4.22Å; L841-Y854 HydrophobicContact CD1-CD2 3.65Å; L841-Y854 HydrophobicContact CD1-CE2 4.17Å; L841-Y854 HydrophobicContact CD1-CG 4.08Å; L841-Y854 HydrophobicContact CD2-CD1 3.96Å; L841-Y854 HydrophobicContact CD2-CD2 3.67Å; L841-Y854 HydrophobicContact CD2-CE1 3.86Å; L841-Y854 HydrophobicContact CD2-CE2 3.56Å; L841-Y854 HydrophobicContact CD2-CG 3.84Å; L841-Y854 HydrophobicContact CG-CD2 4.31Å
842	K	81.8	Confident	79	Confident	156 Å²	156	54.3 Å²	54.3	68%	0.678	30%	0.299	S	S	*	.	H	α-helix	trans	-66.6	-41.4	176	-163.3	170.3	-171.2	173.6	0	112.6	S838 A840 G845 A847	S838-K842 WeakPolarHBondContact O-CB 3.49Å; S838-K842 PolarHBondContact O-N 2.99Å; A840-K842 PolarHBondContact O-N 3.05Å; K842-G845 PolarHBondContact O-N 2.92Å; K842-A847 HydrophobicContact CG-CB 4.38Å
843	L	79.7	Confident	78.4	Confident	96 Å²	96	56.7 Å²	56.7	50%	0.503	31%	0.309	S	S	.	.	H	α-helix	trans	-70.8	-34.5	174.1	-74.8	178.6	0	0	0	113.2	I823 L825 K839 A840 G845	I823-L843 HydrophobicContact CD1-CB 3.56Å; I823-L843 HydrophobicContact CD1-CD1 4.09Å; I823-L843 HydrophobicContact CD1-CG 4.49Å; I823-L843 HydrophobicContact CG2-CB 4.43Å; L825-L843 HydrophobicContact CD2-CD1 3.62Å; L825-L843 HydrophobicContact CG-CD1 3.94Å; K839-L843 WeakPolarHBondContact O-CB 3.36Å; K839-L843 WeakPolarHBondContact O-CG 3.42Å; K839-L843 PolarHBondContact O-N 3.3Å; A840-L843 PolarHBondContact O-N 3.19Å; A840-L843 VanDerWaalsContact O-N 3.17Å; L843-G845 PolarHBondContact O-N 2.94Å
844	F	74.2	Confident	78.1	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.009	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-8.5	172.5	-72.8	-54.8	0	0	0	113.7	V775 S776 L777 F791 V795 P821 I823 A840 L841 C846 C898	V775-F844 HydrophobicContact CG1-CE2 4.13Å; V775-F844 HydrophobicContact CG1-CZ 4.38Å; S776-F844 VanDerWaalsContact C-CZ 3.49Å; L777-F844 HydrophobicContact CB-CD1 3.89Å; L777-F844 HydrophobicContact CB-CD2 3.85Å; L777-F844 HydrophobicContact CB-CE1 3.75Å; L777-F844 HydrophobicContact CB-CE2 3.7Å; L777-F844 HydrophobicContact CB-CG 3.96Å; L777-F844 HydrophobicContact CB-CZ 3.65Å; L777-F844 HydrophobicContact CD1-CD2 3.99Å; L777-F844 HydrophobicContact CD1-CE2 4.25Å; L777-F844 HydrophobicContact CD2-CB 4.05Å; L777-F844 HydrophobicContact CD2-CD1 4.43Å; L777-F844 HydrophobicContact CD2-CD2 4.31Å; L777-F844 HydrophobicContact CD2-CG 4.04Å; L777-F844 HydrophobicContact CG-CD2 4.27Å; L777-F844 HydrophobicContact CG-CE2 4.5Å; L777-F844 HydrophobicContact CG-CG 4.41Å; F791-F844 WeakPolarHBondContact CE2-O 2.97Å; F791-F844 VanDerWaalsContact CZ-O 3.28Å; F791-F844 WeakPolarHBondContact CZ-O 3.17Å; V795-F844 WeakPolarHBondContact CG2-O 3.38Å; P821-F844 HydrophobicContact CB-CD1 4.18Å; P821-F844 HydrophobicContact CB-CE1 4.01Å; P821-F844 HydrophobicContact CG-CD1 4.29Å; P821-F844 HydrophobicContact CG-CE1 4.15Å; P821-F844 WeakPolarHBondContact O-CE1 3.26Å; I823-F844 HydrophobicContact CD1-CD1 4.07Å; I823-F844 HydrophobicContact CD1-CD2 3.78Å; I823-F844 HydrophobicContact CD1-CE1 3.84Å; I823-F844 HydrophobicContact CD1-CE2 3.54Å; I823-F844 HydrophobicContact CD1-CG 4.03Å; I823-F844 HydrophobicContact CD1-CZ 3.57Å; I823-F844 HydrophobicContact CG1-CD1 4.41Å; I823-F844 HydrophobicContact CG1-CE1 3.75Å; I823-F844 HydrophobicContact CG1-CE2 3.99Å; I823-F844 HydrophobicContact CG1-CZ 3.5Å; I823-F844 HydrophobicContact CG2-CD1 4.39Å; I823-F844 HydrophobicContact CG2-CE1 4.14Å; A840-F844 HydrophobicContact CB-CD2 4.34Å; A840-F844 HydrophobicContact CB-CE2 4.19Å; A840-F844 WeakPolarHBondContact O-CD2 3.48Å; A840-F844 WeakPolarHBondContact O-CG 3.5Å; A840-F844 PolarHBondContact O-N 3.41Å; L841-F844 PolarHBondContact O-N 3.37Å; F844-C846 VanDerWaalsContact C-N 3.32Å; F844-C898 HydrophobicContact CE2-CB 4.48Å
845	G	73.8	Confident	77.8	Confident	42 Å²	42	56.6 Å²	56.6	43%	0.433	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	17.8	-174.9	0	0	0	0	0	114.1	L841 K842 L843 A847	L841-G845 PolarHBondContact O-N 3.14Å; K842-G845 PolarHBondContact O-N 2.92Å; L843-G845 PolarHBondContact O-N 2.94Å; G845-A847 VanDerWaalsContact C-N 3.33Å
846	C	66.8	Low	77.4	Confident	7 Å²	7	53.1 Å²	53.1	5%	0.047	29%	0.288	C	S	.	.			trans	-94.7	26.1	172.4	-60.2	0	0	0	0	112.4	F791 L841 F844 D848 Q849	F791-C846 WeakPolarHBondContact CE2-SG 3.29Å; F791-C846 WeakPolarHBondContact CZ-SG 3.33Å; L841-C846 HydrophobicContact CB-CB 4.25Å; L841-C846 HydrophobicContact CD2-CB 3.85Å; L841-C846 CarbonylContact O-C 3.55Å; L841-C846 WeakPolarHBondContact O-CA 3.36Å; L841-C846 PolarHBondContact O-N 2.84Å; F844-C846 VanDerWaalsContact C-N 3.32Å; C846-D848 PolarHBondContact O-N 3.43Å; C846-Q849 PolarHBondContact O-N 3.5Å
847	A	66.6	Low	77.1	Confident	64 Å²	64	54 Å²	54	53%	0.529	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-22.9	-171.8	0	0	0	0	0	114.7	K842 G845 Q849	K842-A847 HydrophobicContact CG-CB 4.38Å; G845-A847 VanDerWaalsContact C-N 3.33Å; A847-Q849 VanDerWaalsContact C-N 3.29Å
848	D	67.5	Low	76.7	Confident	162 Å²	162	54.3 Å²	54.3	87%	0.866	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-7.6	179	-48.3	-48.5	0	0	0	113.3	C846	C846-D848 PolarHBondContact O-N 3.43Å
849	Q	68.5	Low	76	Confident	83 Å²	83	53.5 Å²	53.5	39%	0.388	29%	0.286	S	S	.	.	S	Bend	trans	-96.8	140.9	-178.7	-58.8	-161.6	47.6	0	0	112.2	C846 A847 Y854	C846-Q849 PolarHBondContact O-N 3.5Å; A847-Q849 VanDerWaalsContact C-N 3.29Å; Q849-Y854 HydrophobicContact CB-CE2 3.86Å; Q849-Y854 HydrophobicContact CG-CE2 4.49Å; Q849-Y854 PolarHBondContact NE2-OH 2.87Å; Q849-Y854 PolarHBondContact OE1-OH 2.95Å
850	K	75	Confident	75	Confident	140 Å²	140	53.1 Å²	53.1	61%	0.609	29%	0.285	S	S	*	.			trans	-65.5	136.3	177	-66.2	-174.2	176.4	-174.4	0	111.2	D852 N853	K850-D852 HydrophobicContact CB-CB 4.31Å; K850-D852 PolarHBondContact O-N 3.25Å; K850-N853 WeakPolarHBondContact O-CB 3.38Å; K850-N853 PolarHBondContact O-N 2.85Å
851	V	76.7	Confident	73.6	Confident	28 Å²	28	60.7 Å²	60.7	17%	0.17	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-56.9	-30.6	169.1	174	0	0	0	0	111.5	L837 L841 N853 Y854 K870	L837-V851 HydrophobicContact CB-CG1 3.72Å; L837-V851 HydrophobicContact CD1-CG1 3.86Å; L837-V851 HydrophobicContact CG-CG1 4.42Å; L841-V851 HydrophobicContact CD1-CG2 4.22Å; V851-N853 PolarHBondContact O-N 2.93Å; V851-N853 VanDerWaalsContact O-N 3.17Å; V851-Y854 PolarHBondContact O-N 2.9Å; V851-K870 PolarHBondContact O-NZ 2.97Å
852	D	78.6	Confident	72	Confident	97 Å²	97	67.7 Å²	67.7	52%	0.519	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-57.8	-28.9	174.8	-52.6	-48.3	0	0	0	112.9	K850 Y854 K870 T901	K850-D852 HydrophobicContact CB-CB 4.31Å; K850-D852 PolarHBondContact O-N 3.25Å; D852-Y854 VanDerWaalsContact C-N 3.29Å; D852-Y854 PolarHBondContact O-N 2.83Å; D852-K870 PolarHBondContact O-NZ 3.16Å; D852-T901 PolarHBondContact O-OG1 3.47Å
853	N	75.8	Confident	70.8	Confident	75 Å²	75	62.4 Å²	62.4	40%	0.401	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-81.7	-0.8	178.4	-59.8	8.4	0	0	0	113.4	K850 V851 P900 T901	K850-N853 WeakPolarHBondContact O-CB 3.38Å; K850-N853 PolarHBondContact O-N 2.85Å; V851-N853 PolarHBondContact O-N 2.93Å; V851-N853 VanDerWaalsContact O-N 3.17Å; N853-P900 CarbonylContact O-C 3.6Å; N853-P900 VanDerWaalsContact O-CA 3.32Å; N853-P900 WeakPolarHBondContact O-CA 3.44Å; N853-T901 VanDerWaalsContact C-OG1 3.23Å; N853-T901 PolarHBondContact O-N 2.94Å; N853-T901 PolarHBondContact O-OG1 3.26Å
854	Y	76.3	Confident	69.4	Low	3 Å²	3	68.5 Å²	68.5	1%	0.012	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	134.2	-176.6	-75	-90.1	0	0	0	113.6	L777 L837 L841 Q849 V851 D852 K870 C898 T899 P900 T901	L777-Y854 HydrophobicContact CD1-CD1 4.38Å; L777-Y854 HydrophobicContact CD1-CE1 3.79Å; L837-Y854 WeakPolarHBondContact CD1-O 3.47Å; L841-Y854 HydrophobicContact CD1-CD2 3.65Å; L841-Y854 HydrophobicContact CD1-CE2 4.17Å; L841-Y854 HydrophobicContact CD1-CG 4.08Å; L841-Y854 HydrophobicContact CD2-CD1 3.96Å; L841-Y854 HydrophobicContact CD2-CD2 3.67Å; L841-Y854 HydrophobicContact CD2-CE1 3.86Å; L841-Y854 HydrophobicContact CD2-CE2 3.56Å; L841-Y854 HydrophobicContact CD2-CG 3.84Å; L841-Y854 HydrophobicContact CG-CD2 4.31Å; Q849-Y854 HydrophobicContact CB-CE2 3.86Å; Q849-Y854 HydrophobicContact CG-CE2 4.49Å; Q849-Y854 PolarHBondContact NE2-OH 2.87Å; Q849-Y854 PolarHBondContact OE1-OH 2.95Å; V851-Y854 PolarHBondContact O-N 2.9Å; D852-Y854 VanDerWaalsContact C-N 3.29Å; D852-Y854 PolarHBondContact O-N 2.83Å; Y854-K870 VanDerWaalsContact C-NZ 3.33Å; Y854-K870 VanDerWaalsContact O-CE 3.27Å; Y854-K870 WeakPolarHBondContact O-CE 3.46Å; Y854-K870 PolarHBondContact O-NZ 3.4Å; Y854-C898 WeakPolarHBondContact CD1-SG 3.37Å; Y854-T899 CarbonylContact C-O 3.54Å; Y854-T899 VanDerWaalsContact CA-O 3.29Å; Y854-T899 WeakPolarHBondContact CA-O 3.49Å; Y854-P900 HydrophobicContact CE1-CG 4.36Å; Y854-T901 PolarHBondContact N-OG1 3.49Å
855	D	80.5	Confident	69.1	Low	22 Å²	22	72.9 Å²	72.9	12%	0.118	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	134.8	174.9	-57.7	-27.6	0	0	0	110.1	T867 K870 T899 T901	D855-T867 HydrophobicContact CB-CG2 3.9Å; D855-K870 WeakPolarHBondContact OD1-CE 3.38Å; D855-K870 IonicContact OD1-NZ 2.65Å; D855-K870 PolarHBondContact OD1-NZ 3.49Å; D855-T899 PolarHBondContact N-O 3.39Å; D855-T899 PolarHBondContact O-N 3.4Å; D855-T901 PolarHBondContact OD1-OG1 2.74Å; D855-T901 WeakPolarHBondContact OD2-CA 3.42Å; D855-T901 PolarHBondContact OD2-OG1 2.93Å
856	L	79.2	Confident	68.9	Low	0 Å²	0	74.8 Å²	74.8	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	122.6	174.7	-165	62.5	0	0	0	109.6	V775 V833 V836 L837 L868 F874 F896 C898	V775-L856 HydrophobicContact CG1-CD1 4.1Å; V833-L856 HydrophobicContact CG1-CB 4.1Å; V833-L856 HydrophobicContact CG1-CD2 4.27Å; V836-L856 HydrophobicContact CB-CD2 4.18Å; V836-L856 HydrophobicContact CG1-CD2 3.71Å; L837-L856 HydrophobicContact CD1-CB 4.1Å; L837-L856 HydrophobicContact CD2-CB 3.85Å; L837-L856 HydrophobicContact CD2-CD1 4.22Å; L837-L856 HydrophobicContact CG-CB 3.86Å; L837-L856 HydrophobicContact CG-CD2 4.45Å; L856-L868 HydrophobicContact CD2-CD1 4.28Å; L856-L868 HydrophobicContact CG-CD1 4.5Å; L856-L868 PolarHBondContact O-N 3.11Å; L856-F874 HydrophobicContact CD2-CD2 4.45Å; L856-F874 HydrophobicContact CD2-CE2 3.79Å; L856-F896 HydrophobicContact CD1-CB 3.92Å; L856-F896 HydrophobicContact CG-CB 4.3Å; L856-F896 HydrophobicContact CG-CD1 4.46Å; L856-C898 HydrophobicContact CD1-CB 4.46Å
857	I	76.7	Confident	69.4	Low	19 Å²	19	78 Å²	78	10%	0.097	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	118	-174	-56.5	-179.2	0	0	0	108.9	D865 I866 T867 F896 I897 T899	I857-D865 HydrophobicContact CG2-CB 3.69Å; I857-I866 CarbonylContact C-O 3.59Å; I857-I866 WeakPolarHBondContact CA-O 3.49Å; I857-T867 HydrophobicContact CG1-CG2 4.44Å; I857-F896 CarbonylContact O-C 3.59Å; I857-F896 WeakPolarHBondContact O-CA 3.36Å; I857-I897 PolarHBondContact N-O 3.42Å; I857-I897 PolarHBondContact O-N 2.97Å; I857-T899 HydrophobicContact CD1-CG2 3.88Å
858	H	77.8	Confident	70	Confident	7 Å²	7	75 Å²	75	3%	0.032	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	123.1	171.3	-176.5	-145.9	0	0	0	109.9	H860 D865 I866 L868 L894 E895 F896	H858-H860 AromaticContact CE1-CD2 3.52Å; H858-H860 AromaticContact CE1-NE2 3.99Å; H858-H860 AromaticContact ND1-CD2 3.92Å; H858-D865 WeakPolarHBondContact O-CA 3.33Å; H858-I866 HydrophobicContact CB-CB 4.5Å; H858-I866 PolarHBondContact N-O 3.15Å; H858-I866 PolarHBondContact O-N 2.91Å; H858-L868 HydrophobicContact CB-CD2 4.27Å; H858-L868 HydrophobicContact CB-CG 4.5Å; H858-L894 WeakPolarHBondContact NE2-CD2 3.16Å; H858-E895 PolarHBondContact CD2-O 3.48Å; H858-F896 HydrophobicContact CB-CD1 3.72Å; H858-F896 HydrophobicContact CB-CE1 3.57Å; H858-F896 AromaticContact CD2-CD1 3.87Å; H858-F896 AromaticContact CD2-CE1 3.36Å; H858-F896 WeakPolarHBondContact CD2-CE1 3.41Å; H858-F896 AromaticContact CD2-CZ 3.53Å; H858-F896 AromaticContact CG-CE1 3.56Å
859	V	69.7	Low	70.7	Confident	40 Å²	40	70.3 Å²	70.3	24%	0.242	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	116.9	-179.6	-179.3	0	0	0	0	109.2	E895 I897	V859-E895 HydrophobicContact CB-CB 4.33Å; V859-E895 PolarHBondContact N-O 2.84Å; V859-I897 HydrophobicContact CG2-CD1 3.64Å; V859-I897 HydrophobicContact CG2-CG1 3.66Å
860	H	64.6	Low	71.3	Confident	68 Å²	68	68.1 Å²	68.1	32%	0.315	34%	0.343	S	S	.	.			trans	-108.5	132.8	179.5	-132.3	-72.2	0	0	0	109.6	H858 D862 A863	H858-H860 AromaticContact CE1-CD2 3.52Å; H858-H860 AromaticContact CE1-NE2 3.99Å; H858-H860 AromaticContact ND1-CD2 3.92Å; H860-D862 VanDerWaalsContact C-N 3.26Å; H860-D862 PolarHBondContact O-N 3.23Å; H860-A863 HydrophobicContact CB-CB 3.8Å
861	K	53.1	Low	71.6	Confident	159 Å²	159	69.6 Å²	69.6	69%	0.691	35%	0.351	S	S	*	.	S	Bend	trans	-61.8	-34.6	179.6	-74.8	170.6	-179	160.1	0	113.1
862	D	49	Very low	71.7	Confident	151 Å²	151	73.8 Å²	73.8	81%	0.807	37%	0.367	S	S	*	.	S	Bend	trans	-122.2	9.1	-169.9	-49.3	-73	0	0	0	113.9	H860	H860-D862 VanDerWaalsContact C-N 3.26Å; H860-D862 PolarHBondContact O-N 3.23Å
863	A	56.7	Low	72	Confident	46 Å²	46	71.2 Å²	71.2	38%	0.38	35%	0.354	S	S	.	.	S	Bend	trans	-136	176.4	177.9	0	0	0	0	0	111.4	H860	H860-A863 HydrophobicContact CB-CB 3.8Å
864	R	50.8	Low	72.2	Confident	223 Å²	223	67.6 Å²	67.6	84%	0.842	34%	0.335	S	S	*	.			trans	-73.6	140.5	174.8	-64.9	-176	-177.7	-172.2	0.6	110.2	I866	R864-I866 VanDerWaalsContact O-CG1 3.32Å; R864-I866 WeakPolarHBondContact O-CG1 3.2Å; R864-I866 PolarHBondContact O-N 3.05Å
865	D	66.3	Low	72.1	Confident	94 Å²	94	69.2 Å²	69.2	50%	0.503	34%	0.341	S	S	.	.			trans	-51.7	124.5	170.3	-64.6	-23.9	0	0	0	111.4	I857 H858	I857-D865 HydrophobicContact CG2-CB 3.69Å; H858-D865 WeakPolarHBondContact O-CA 3.33Å
866	I	69.7	Low	71.7	Confident	83 Å²	83	75 Å²	75	43%	0.426	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	112.4	-176.4	-52.1	-175.1	0	0	0	109.2	I857 H858 R864 L868	I857-I866 CarbonylContact C-O 3.59Å; I857-I866 WeakPolarHBondContact CA-O 3.49Å; H858-I866 HydrophobicContact CB-CB 4.5Å; H858-I866 PolarHBondContact N-O 3.15Å; H858-I866 PolarHBondContact O-N 2.91Å; R864-I866 VanDerWaalsContact O-CG1 3.32Å; R864-I866 WeakPolarHBondContact O-CG1 3.2Å; R864-I866 PolarHBondContact O-N 3.05Å; I866-L868 HydrophobicContact CG2-CD2 4.12Å; I866-L868 PolarHBondContact O-N 2.99Å
867	T	79.1	Confident	71.2	Confident	73 Å²	73	76 Å²	76	45%	0.448	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	115.6	167.6	-52.5	0	0	0	0	109	D855 I857	D855-T867 HydrophobicContact CB-CG2 3.9Å; I857-T867 HydrophobicContact CG1-CG2 4.44Å
868	L	79	Confident	70.8	Confident	3 Å²	3	75.8 Å²	75.8	2%	0.016	37%	0.373	C	S	.	.			trans	-79.1	132.6	-174.5	-57	-179.2	0	0	0	110.5	V833 L856 H858 I866 K870 F874 F896	V833-L868 HydrophobicContact CB-CB 4.42Å; V833-L868 HydrophobicContact CG1-CB 3.73Å; V833-L868 HydrophobicContact CG2-CB 3.74Å; V833-L868 HydrophobicContact CG2-CD1 4.32Å; L856-L868 HydrophobicContact CD2-CD1 4.28Å; L856-L868 HydrophobicContact CG-CD1 4.5Å; L856-L868 PolarHBondContact O-N 3.11Å; H858-L868 HydrophobicContact CB-CD2 4.27Å; H858-L868 HydrophobicContact CB-CG 4.5Å; I866-L868 HydrophobicContact CG2-CD2 4.12Å; I866-L868 PolarHBondContact O-N 2.99Å; L868-K870 PolarHBondContact O-N 2.76Å; L868-F874 HydrophobicContact CD1-CD2 4.09Å; L868-F874 HydrophobicContact CD1-CE2 3.73Å; L868-F896 HydrophobicContact CD1-CD1 4.08Å; L868-F896 HydrophobicContact CD1-CE1 3.91Å
869	P	81	Confident	69.7	Low	63 Å²	63	80 Å²	80	41%	0.409	40%	0.396	S	S	.	.			trans	-67.4	123.6	179.2	-18.9	31.5	0	0	0	111.5	V833 H871 F872	V833-P869 WeakPolarHBondContact CB-O 3.31Å; V833-P869 WeakPolarHBondContact CG2-O 3.26Å; P869-H871 PolarHBondContact O-N 2.85Å; P869-F872 HydrophobicContact CB-CB 4.36Å; P869-F872 HydrophobicContact CB-CD2 3.65Å; P869-F872 HydrophobicContact CB-CE2 4.11Å; P869-F872 HydrophobicContact CB-CG 4.02Å; P869-F872 HydrophobicContact CG-CD1 4.48Å; P869-F872 HydrophobicContact CG-CD2 4.16Å; P869-F872 HydrophobicContact CG-CE2 4.41Å; P869-F872 HydrophobicContact CG-CG 4.19Å; P869-F872 PolarHBondContact O-N 2.66Å
870	K	81.1	Confident	68.6	Low	36 Å²	36	82.7 Å²	82.7	16%	0.157	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-29.8	-170.7	-51.3	-167.5	-168.2	-161.8	0	114.6	S834 L837 V851 D852 Y854 D855 L868 T901	S834-K870 WeakPolarHBondContact CB-O 3.4Å; S834-K870 PolarHBondContact N-O 3.14Å; S834-K870 PolarHBondContact OG-O 3.31Å; L837-K870 HydrophobicContact CD1-CG 4.46Å; V851-K870 PolarHBondContact O-NZ 2.97Å; D852-K870 PolarHBondContact O-NZ 3.16Å; Y854-K870 VanDerWaalsContact C-NZ 3.33Å; Y854-K870 VanDerWaalsContact O-CE 3.27Å; Y854-K870 WeakPolarHBondContact O-CE 3.46Å; Y854-K870 PolarHBondContact O-NZ 3.4Å; D855-K870 WeakPolarHBondContact OD1-CE 3.38Å; D855-K870 IonicContact OD1-NZ 2.65Å; D855-K870 PolarHBondContact OD1-NZ 3.49Å; L868-K870 PolarHBondContact O-N 2.76Å; K870-T901 PolarHBondContact NZ-OG1 2.86Å
871	H	81.1	Confident	67.1	Low	171 Å²	171	83.9 Å²	83.9	79%	0.792	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-2.2	-178.6	-50.9	-55.7	0	0	0	115.5	P869	P869-H871 PolarHBondContact O-N 2.85Å
872	F	80.3	Confident	66.2	Low	116 Å²	116	81 Å²	81	51%	0.509	42%	0.418	S	S	.	.	S	Bend	trans	-84.2	153.6	-179.9	-84.2	-134	0	0	0	110.7	S832 V833 P869	S832-F872 CarbonylContact C-O 3.51Å; S832-F872 VanDerWaalsContact CA-O 3.28Å; S832-F872 WeakPolarHBondContact CA-O 3.19Å; V833-F872 PolarHBondContact N-O 3.43Å; P869-F872 HydrophobicContact CB-CB 4.36Å; P869-F872 HydrophobicContact CB-CD2 3.65Å; P869-F872 HydrophobicContact CB-CE2 4.11Å; P869-F872 HydrophobicContact CB-CG 4.02Å; P869-F872 HydrophobicContact CG-CD1 4.48Å; P869-F872 HydrophobicContact CG-CD2 4.16Å; P869-F872 HydrophobicContact CG-CE2 4.41Å; P869-F872 HydrophobicContact CG-CG 4.19Å; P869-F872 PolarHBondContact O-N 2.66Å
873	N	83.5	Confident	65.5	Low	43 Å²	43	77.8 Å²	77.8	23%	0.23	40%	0.397	C	S	.	.	B	Isolated β-bridge	trans	-61.5	137	166	176.1	-75.5	0	0	0	109.3	P829 Y875 E876 S877	P829-N873 PolarHBondContact O-ND2 3.05Å; N873-Y875 PolarHBondContact O-N 3.24Å; N873-Y875 WeakPolarHBondContact OD1-CB 3.14Å; N873-Y875 PolarHBondContact OD1-N 3.03Å; N873-E876 HydrophobicContact CB-CB 4.14Å; N873-E876 HydrophobicContact CB-CG 3.96Å; N873-E876 PolarHBondContact O-N 2.91Å; N873-E876 PolarHBondContact OD1-N 2.83Å; N873-S877 WeakPolarHBondContact O-CB 3.48Å; N873-S877 PolarHBondContact O-N 3.27Å; N873-S877 PolarHBondContact O-OG 3.48Å
874	F	81.3	Confident	64.1	Low	0 Å²	0	82.4 Å²	82.4	0%	0	42%	0.416	C	S	.	.	H	α-helix	trans	-64.1	-44.5	-173.6	-173	-102	0	0	0	112.8	L771 I773 V827 D831 V833 V836 L856 L868 S877 I878 F896	L771-F874 HydrophobicContact CD2-CE1 4.28Å; I773-F874 HydrophobicContact CD1-CE1 4.2Å; I773-F874 HydrophobicContact CD1-CE2 4.33Å; I773-F874 HydrophobicContact CD1-CZ 3.59Å; I773-F874 HydrophobicContact CG2-CE1 3.73Å; I773-F874 HydrophobicContact CG2-CZ 3.92Å; V827-F874 HydrophobicContact CB-CD1 4.12Å; V827-F874 HydrophobicContact CB-CE1 4.23Å; V827-F874 HydrophobicContact CG1-CB 4.09Å; V827-F874 HydrophobicContact CG1-CD1 3.52Å; V827-F874 HydrophobicContact CG1-CE1 4.09Å; V827-F874 HydrophobicContact CG1-CG 3.96Å; V827-F874 HydrophobicContact CG2-CD1 4.12Å; V827-F874 HydrophobicContact CG2-CE1 3.81Å; V827-F874 HydrophobicContact CG2-CZ 4.35Å; D831-F874 WeakPolarHBondContact O-CB 3.49Å; D831-F874 PolarHBondContact O-N 3.11Å; V833-F874 HydrophobicContact CG2-CD2 4.23Å; V836-F874 HydrophobicContact CB-CD2 4.16Å; V836-F874 HydrophobicContact CB-CE2 4.29Å; V836-F874 HydrophobicContact CG1-CD2 4.34Å; V836-F874 HydrophobicContact CG1-CE2 3.97Å; V836-F874 HydrophobicContact CG1-CZ 4.34Å; V836-F874 HydrophobicContact CG2-CB 4.14Å; V836-F874 HydrophobicContact CG2-CD1 4.38Å; V836-F874 HydrophobicContact CG2-CD2 3.7Å; V836-F874 HydrophobicContact CG2-CE2 4.12Å; V836-F874 HydrophobicContact CG2-CG 3.83Å; L856-F874 HydrophobicContact CD2-CD2 4.45Å; L856-F874 HydrophobicContact CD2-CE2 3.79Å; L868-F874 HydrophobicContact CD1-CD2 4.09Å; L868-F874 HydrophobicContact CD1-CE2 3.73Å; F874-S877 PolarHBondContact O-N 3.41Å; F874-S877 PolarHBondContact O-OG 3.24Å; F874-I878 HydrophobicContact CD1-CD1 3.58Å; F874-I878 HydrophobicContact CD2-CD1 4.42Å; F874-I878 HydrophobicContact CE1-CD1 3.24Å; F874-I878 HydrophobicContact CE2-CD1 4.1Å; F874-I878 HydrophobicContact CG-CD1 4.2Å; F874-I878 HydrophobicContact CZ-CD1 3.54Å; F874-I878 WeakPolarHBondContact O-CG1 3.39Å; F874-I878 PolarHBondContact O-N 3.16Å; F874-F896 HydrophobicContact CE1-CZ 4.27Å; F874-F896 HydrophobicContact CE2-CD1 4.39Å; F874-F896 HydrophobicContact CE2-CE1 4.04Å; F874-F896 HydrophobicContact CE2-CZ 4.36Å; F874-F896 HydrophobicContact CZ-CD1 4.27Å; F874-F896 AromaticContact CZ-CE1 3.72Å; F874-F896 HydrophobicContact CZ-CE1 3.72Å; F874-F896 AromaticContact CZ-CE2 3.99Å; F874-F896 HydrophobicContact CZ-CE2 3.99Å; F874-F896 AromaticContact CZ-CZ 3.57Å; F874-F896 HydrophobicContact CZ-CZ 3.57Å
875	Y	72.6	Confident	63.1	Low	37 Å²	37	79.3 Å²	79.3	15%	0.145	42%	0.415	C	S	.	.	H	α-helix	trans	-66.5	-38.6	179.5	-79.5	-113.3	0	0	0	112.1	S769 L771 V827 P829 N873 S877 I878 Y880	S769-Y875 PolarHBondContact O-OH 2.97Å; S769-Y875 VanDerWaalsContact O-OH 3.11Å; L771-Y875 HydrophobicContact CB-CE1 4.29Å; L771-Y875 HydrophobicContact CB-CE2 4.29Å; L771-Y875 VanDerWaalsContact CB-OH 3.31Å; L771-Y875 WeakPolarHBondContact CB-OH 3.44Å; L771-Y875 PolarHBondContact N-OH 3.22Å; L771-Y875 VanDerWaalsContact N-OH 3.08Å; V827-Y875 HydrophobicContact CG1-CE2 4.21Å; V827-Y875 PolarHBondContact O-OH 3.39Å; P829-Y875 HydrophobicContact CB-CE2 4.43Å; P829-Y875 HydrophobicContact CG-CE2 4.35Å; N873-Y875 PolarHBondContact O-N 3.24Å; N873-Y875 WeakPolarHBondContact OD1-CB 3.14Å; N873-Y875 PolarHBondContact OD1-N 3.03Å; Y875-S877 VanDerWaalsContact C-N 3.35Å; Y875-I878 PolarHBondContact O-N 3.31Å; Y875-Y880 AromaticContact CD1-CD2 3.8Å; Y875-Y880 HydrophobicContact CD1-CD2 3.8Å; Y875-Y880 AromaticContact CD1-CE2 3.59Å; Y875-Y880 HydrophobicContact CD1-CE2 3.59Å; Y875-Y880 HydrophobicContact CE1-CE2 4.02Å; Y875-Y880 HydrophobicContact CG-CD2 4.43Å; Y875-Y880 HydrophobicContact CG-CE2 4.41Å
876	E	72.5	Confident	61.1	Low	144 Å²	144	80.2 Å²	80.2	67%	0.673	43%	0.428	S	S	*	.	H	α-helix	trans	-63.5	-41.3	172.6	-65.7	-174.9	150.7	0	0	111.5	N873 I878 N879	N873-E876 HydrophobicContact CB-CB 4.14Å; N873-E876 HydrophobicContact CB-CG 3.96Å; N873-E876 PolarHBondContact O-N 2.91Å; N873-E876 PolarHBondContact OD1-N 2.83Å; E876-I878 PolarHBondContact O-N 2.78Å; E876-N879 PolarHBondContact O-N 2.91Å
877	S	70.2	Confident	59	Low	21 Å²	21	83.5 Å²	83.5	15%	0.147	45%	0.447	C	S	.	.	H	α-helix	trans	-66.2	-21.6	-177.4	77.4	0	0	0	0	114.3	N873 F874 Y875	N873-S877 WeakPolarHBondContact O-CB 3.48Å; N873-S877 PolarHBondContact O-N 3.27Å; N873-S877 PolarHBondContact O-OG 3.48Å; F874-S877 PolarHBondContact O-N 3.41Å; F874-S877 PolarHBondContact O-OG 3.24Å; Y875-S877 VanDerWaalsContact C-N 3.35Å
878	I	66.7	Low	56.5	Low	14 Å²	14	87.5 Å²	87.5	7%	0.072	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	11.7	176.1	-48	156.1	0	0	0	111.5	F874 Y875 E876 Y880 F896	F874-I878 HydrophobicContact CD1-CD1 3.58Å; F874-I878 HydrophobicContact CD2-CD1 4.42Å; F874-I878 HydrophobicContact CE1-CD1 3.24Å; F874-I878 HydrophobicContact CE2-CD1 4.1Å; F874-I878 HydrophobicContact CG-CD1 4.2Å; F874-I878 HydrophobicContact CZ-CD1 3.54Å; F874-I878 WeakPolarHBondContact O-CG1 3.39Å; F874-I878 PolarHBondContact O-N 3.16Å; Y875-I878 PolarHBondContact O-N 3.31Å; E876-I878 PolarHBondContact O-N 2.78Å; I878-Y880 PolarHBondContact O-N 2.68Å; I878-F896 HydrophobicContact CD1-CE1 4.01Å; I878-F896 HydrophobicContact CD1-CZ 3.68Å; I878-F896 HydrophobicContact CG1-CE1 4.21Å; I878-F896 HydrophobicContact CG1-CZ 4.27Å
879	N	54.8	Low	54	Low	95 Å²	95	97 Å²	97	51%	0.508	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	54.5	172.6	-168.7	15.9	0	0	0	113.7	E876 S881 S882	E876-N879 PolarHBondContact O-N 2.91Å; N879-S881 PolarHBondContact O-N 3.37Å; N879-S881 WeakPolarHBondContact OD1-CB 3.2Å; N879-S881 PolarHBondContact OD1-OG 3.01Å; N879-S882 PolarHBondContact O-N 3.02Å
880	Y	47.6	Very low	51.5	Low	96 Å²	96	102.1 Å²	102.1	38%	0.376	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-53.9	-15.4	-176.7	-119.2	-82.3	0	0	0	114.9	L771 Y875 I878 S882 F883	L771-Y880 HydrophobicContact CD2-CE2 4.1Å; Y875-Y880 AromaticContact CD1-CD2 3.8Å; Y875-Y880 HydrophobicContact CD1-CD2 3.8Å; Y875-Y880 AromaticContact CD1-CE2 3.59Å; Y875-Y880 HydrophobicContact CD1-CE2 3.59Å; Y875-Y880 HydrophobicContact CE1-CE2 4.02Å; Y875-Y880 HydrophobicContact CG-CD2 4.43Å; Y875-Y880 HydrophobicContact CG-CE2 4.41Å; I878-Y880 PolarHBondContact O-N 2.68Å; Y880-S882 PolarHBondContact O-N 2.9Å; Y880-F883 HydrophobicContact CD1-CB 3.98Å; Y880-F883 HydrophobicContact CE1-CB 4.2Å; Y880-F883 PolarHBondContact O-N 2.92Å
881	S	33.8	Very low	49	Very low	94 Å²	94	110.9 Å²	110.9	66%	0.657	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-43.1	-34.2	172.2	-36.1	0	0	0	0	114.7	N879	N879-S881 PolarHBondContact O-N 3.37Å; N879-S881 WeakPolarHBondContact OD1-CB 3.2Å; N879-S881 PolarHBondContact OD1-OG 3.01Å
882	S	32.3	Very low	47.1	Very low	98 Å²	98	108.9 Å²	108.9	69%	0.685	55%	0.55	S	S	*	.	G	3₁₀ helix	trans	-82.1	-17.6	-179.2	-58	0	0	0	0	114.1	N879 Y880 N884	N879-S882 PolarHBondContact O-N 3.02Å; Y880-S882 PolarHBondContact O-N 2.9Å; S882-N884 VanDerWaalsContact C-N 3.3Å; S882-N884 PolarHBondContact O-N 2.79Å
883	F	35.1	Very low	45.7	Very low	83 Å²	83	108.2 Å²	108.2	36%	0.364	55%	0.55	S	S	.	*			trans	-93.4	29.4	-176.4	-80.8	-79.5	0	0	0	113.1	Y880 L885 E892	Y880-F883 HydrophobicContact CD1-CB 3.98Å; Y880-F883 HydrophobicContact CE1-CB 4.2Å; Y880-F883 PolarHBondContact O-N 2.92Å; F883-L885 PolarHBondContact O-N 2.73Å; F883-E892 VanDerWaalsContact CE1-OE2 3.32Å; F883-E892 WeakPolarHBondContact CE1-OE2 3.39Å; F883-E892 WeakPolarHBondContact CZ-OE2 3.47Å
884	N	28.3	Very low	44.7	Very low	144 Å²	144	107.2 Å²	107.2	77%	0.77	55%	0.545	S	S	*	.			trans	-72.1	126.6	-176.5	-139.8	-12.5	0	0	0	110.7	S882 S886	S882-N884 VanDerWaalsContact C-N 3.3Å; S882-N884 PolarHBondContact O-N 2.79Å; N884-S886 PolarHBondContact O-N 3.41Å
885	L	28.6	Very low	44.1	Very low	158 Å²	158	111.6 Å²	111.6	83%	0.827	57%	0.565	S	S	*	*			trans	-66.4	119.8	-157.9	-79.7	67.3	0	0	0	113.8	F883	F883-L885 PolarHBondContact O-N 2.73Å
886	S	25	Very low	44.4	Very low	112 Å²	112	109.9 Å²	109.9	78%	0.783	56%	0.559	S	S	*	*			trans	-127.3	78.4	155.8	65.9	0	0	0	0	111.2	N884 N888	N884-S886 PolarHBondContact O-N 3.41Å; S886-N888 PolarHBondContact O-N 3.32Å
887	N	25	Very low	44.6	Very low	153 Å²	153	105.1 Å²	105.1	82%	0.818	54%	0.538	S	S	*	.	S	Bend	trans	29.1	77.8	159.5	-68.1	-20.7	0	0	0	118
888	N	26.4	Very low	45	Very low	157 Å²	157	104.1 Å²	104.1	84%	0.84	53%	0.531	S	S	*	.			trans	-159.1	132.3	145.6	-103.7	-39.1	0	0	0	114.1	S886 H890	S886-N888 PolarHBondContact O-N 3.32Å; N888-H890 PolarHBondContact O-N 2.86Å
889	K	26.6	Very low	45.2	Very low	202 Å²	202	104.6 Å²	104.6	88%	0.878	53%	0.534	S	S	*	.			trans	-59.8	20.3	-162.9	-76.5	171.3	169.5	173.3	0	119.5	Y891	K889-Y891 PolarHBondContact O-N 3.05Å
890	H	28.1	Very low	46	Very low	170 Å²	170	101.9 Å²	101.9	79%	0.787	52%	0.522	S	S	*	.			trans	-89	108.4	177.8	-76	-74.5	0	0	0	112	N888 E892	N888-H890 PolarHBondContact O-N 2.86Å; H890-E892 PolarHBondContact O-N 2.86Å
891	Y	30	Very low	46.9	Very low	221 Å²	221	99.1 Å²	99.1	87%	0.867	52%	0.515	S	S	*	.			trans	-67.1	106	161.9	-69.5	-94.1	0	0	0	108.5	K889 L893	K889-Y891 PolarHBondContact O-N 3.05Å; Y891-L893 PolarHBondContact O-N 3.35Å
892	E	40.2	Very low	47.7	Very low	129 Å²	129	98.6 Å²	98.6	60%	0.603	50%	0.504	S	S	*	.			trans	-69.3	123	167.1	-68.8	-153.7	113	0	0	109.5	F883 H890 L894	F883-E892 VanDerWaalsContact CE1-OE2 3.32Å; F883-E892 WeakPolarHBondContact CE1-OE2 3.39Å; F883-E892 WeakPolarHBondContact CZ-OE2 3.47Å; H890-E892 PolarHBondContact O-N 2.86Å; E892-L894 PolarHBondContact O-N 3.26Å; E892-L894 VanDerWaalsContact O-N 3.11Å
893	L	51	Low	48.1	Very low	101 Å²	101	100.6 Å²	100.6	53%	0.529	50%	0.502	S	S	.	.			trans	-77.3	99.2	-178.9	-151.3	92.6	0	0	0	109	Y891 E895	Y891-L893 PolarHBondContact O-N 3.35Å; L893-E895 HydrophobicContact CD2-CG 4.43Å; L893-E895 PolarHBondContact O-N 3.41Å
894	L	63.3	Low	47.8	Very low	22 Å²	22	103.9 Å²	103.9	12%	0.115	52%	0.524	C	S	.	.			trans	-71.4	111.8	174.9	-58.7	169.7	0	0	0	109.4	L771 T774 H858 E892 F896	L771-L894 HydrophobicContact CD1-CD1 4.21Å; L771-L894 HydrophobicContact CD2-CD1 3.91Å; L771-L894 HydrophobicContact CG-CD1 4.49Å; T774-L894 PolarHBondContact N-O 3.28Å; H858-L894 WeakPolarHBondContact NE2-CD2 3.16Å; E892-L894 PolarHBondContact O-N 3.26Å; E892-L894 VanDerWaalsContact O-N 3.11Å; L894-F896 HydrophobicContact CB-CE2 3.51Å; L894-F896 HydrophobicContact CB-CZ 3.93Å
895	E	68.5	Low	47.8	Very low	92 Å²	92	104.5 Å²	104.5	43%	0.43	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	132.6	178.5	-69.8	-174.4	150.1	0	0	110.8	H858 V859 L893	H858-E895 PolarHBondContact CD2-O 3.48Å; V859-E895 HydrophobicContact CB-CB 4.33Å; V859-E895 PolarHBondContact N-O 2.84Å; L893-E895 HydrophobicContact CD2-CG 4.43Å; L893-E895 PolarHBondContact O-N 3.41Å
896	F	77.9	Confident	47.6	Very low	1 Å²	1	104.2 Å²	104.2	0%	0.004	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	140.9	176	-54.5	-99.5	0	0	0	110.9	I773 T774 V775 S776 L856 I857 H858 L868 F874 I878 L894	I773-F896 HydrophobicContact CB-CD2 3.83Å; I773-F896 HydrophobicContact CB-CE2 3.62Å; I773-F896 HydrophobicContact CD1-CD2 3.98Å; I773-F896 HydrophobicContact CD1-CE2 4.22Å; I773-F896 HydrophobicContact CG1-CD2 4.39Å; I773-F896 HydrophobicContact CG2-CD2 4.23Å; I773-F896 HydrophobicContact CG2-CE2 3.53Å; I773-F896 HydrophobicContact CG2-CZ 4.23Å; T774-F896 PolarHBondContact O-N 2.81Å; V775-F896 CarbonylContact C-O 3.56Å; V775-F896 VanDerWaalsContact CA-O 3.27Å; V775-F896 WeakPolarHBondContact CA-O 3.43Å; V775-F896 HydrophobicContact CG2-CB 4.29Å; S776-F896 PolarHBondContact N-O 2.87Å; L856-F896 HydrophobicContact CD1-CB 3.92Å; L856-F896 HydrophobicContact CG-CB 4.3Å; L856-F896 HydrophobicContact CG-CD1 4.46Å; I857-F896 CarbonylContact O-C 3.59Å; I857-F896 WeakPolarHBondContact O-CA 3.36Å; H858-F896 HydrophobicContact CB-CD1 3.72Å; H858-F896 HydrophobicContact CB-CE1 3.57Å; H858-F896 AromaticContact CD2-CD1 3.87Å; H858-F896 AromaticContact CD2-CE1 3.36Å; H858-F896 WeakPolarHBondContact CD2-CE1 3.41Å; H858-F896 AromaticContact CD2-CZ 3.53Å; H858-F896 AromaticContact CG-CE1 3.56Å; L868-F896 HydrophobicContact CD1-CD1 4.08Å; L868-F896 HydrophobicContact CD1-CE1 3.91Å; F874-F896 HydrophobicContact CE1-CZ 4.27Å; F874-F896 HydrophobicContact CE2-CD1 4.39Å; F874-F896 HydrophobicContact CE2-CE1 4.04Å; F874-F896 HydrophobicContact CE2-CZ 4.36Å; F874-F896 HydrophobicContact CZ-CD1 4.27Å; F874-F896 AromaticContact CZ-CE1 3.72Å; F874-F896 HydrophobicContact CZ-CE1 3.72Å; F874-F896 AromaticContact CZ-CE2 3.99Å; F874-F896 HydrophobicContact CZ-CE2 3.99Å; F874-F896 AromaticContact CZ-CZ 3.57Å; F874-F896 HydrophobicContact CZ-CZ 3.57Å; I878-F896 HydrophobicContact CD1-CE1 4.01Å; I878-F896 HydrophobicContact CD1-CZ 3.68Å; I878-F896 HydrophobicContact CG1-CE1 4.21Å; I878-F896 HydrophobicContact CG1-CZ 4.27Å; L894-F896 HydrophobicContact CB-CE2 3.51Å; L894-F896 HydrophobicContact CB-CZ 3.93Å
897	I	76.7	Confident	47.9	Very low	45 Å²	45	105.8 Å²	105.8	23%	0.231	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	126.6	175	-51	176.9	0	0	0	108.9	H778 I857 V859 T899	H778-I897 HydrophobicContact CB-CG2 3.73Å; I857-I897 PolarHBondContact N-O 3.42Å; I857-I897 PolarHBondContact O-N 2.97Å; V859-I897 HydrophobicContact CG2-CD1 3.64Å; V859-I897 HydrophobicContact CG2-CG1 3.66Å; I897-T899 HydrophobicContact CB-CG2 4.25Å; I897-T899 HydrophobicContact CG2-CG2 3.52Å
898	C	78.6	Confident	48	Very low	0 Å²	0	105.5 Å²	105.5	0%	0	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	113.9	168.5	-174	0	0	0	0	108.7	V775 S776 L777 H778 F844 Y854 L856	V775-C898 HydrophobicContact CG1-CB 4.24Å; S776-C898 WeakPolarHBondContact O-CB 3.29Å; S776-C898 PolarHBondContact O-N 2.87Å; L777-C898 HydrophobicContact CD1-CB 3.92Å; H778-C898 PolarHBondContact N-O 3.46Å; F844-C898 HydrophobicContact CE2-CB 4.48Å; Y854-C898 WeakPolarHBondContact CD1-SG 3.37Å; L856-C898 HydrophobicContact CD1-CB 4.46Å
899	T	72.3	Confident	48.4	Very low	24 Å²	24	104.6 Å²	104.6	15%	0.147	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	147.7	-175.7	67.8	0	0	0	0	111.3	H778 Y854 D855 I857 I897 T901	H778-T899 HydrophobicContact CB-CG2 4.17Å; Y854-T899 CarbonylContact C-O 3.54Å; Y854-T899 VanDerWaalsContact CA-O 3.29Å; Y854-T899 WeakPolarHBondContact CA-O 3.49Å; D855-T899 PolarHBondContact N-O 3.39Å; D855-T899 PolarHBondContact O-N 3.4Å; I857-T899 HydrophobicContact CD1-CG2 3.88Å; I897-T899 HydrophobicContact CB-CG2 4.25Å; I897-T899 HydrophobicContact CG2-CG2 3.52Å; T899-T901 PolarHBondContact O-N 2.84Å
900	P	71.5	Confident	48.6	Very low	38 Å²	38	100.3 Å²	100.3	25%	0.247	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	135.2	172.3	-23.6	34.4	0	0	0	112	H778 N853 Y854 I902	H778-P900 WeakPolarHBondContact O-CD 3.19Å; N853-P900 CarbonylContact O-C 3.6Å; N853-P900 VanDerWaalsContact O-CA 3.32Å; N853-P900 WeakPolarHBondContact O-CA 3.44Å; Y854-P900 HydrophobicContact CE1-CG 4.36Å; P900-I902 WeakPolarHBondContact O-CG1 3.37Å
901	T	65.4	Low	48.7	Very low	37 Å²	37	98.3 Å²	98.3	23%	0.227	50%	0.496	C	S	.	.			trans	-67.7	129.7	172.5	-54.4	0	0	0	0	109.5	D852 N853 Y854 D855 K870 T899	D852-T901 PolarHBondContact O-OG1 3.47Å; N853-T901 VanDerWaalsContact C-OG1 3.23Å; N853-T901 PolarHBondContact O-N 2.94Å; N853-T901 PolarHBondContact O-OG1 3.26Å; Y854-T901 PolarHBondContact N-OG1 3.49Å; D855-T901 PolarHBondContact OD1-OG1 2.74Å; D855-T901 WeakPolarHBondContact OD2-CA 3.42Å; D855-T901 PolarHBondContact OD2-OG1 2.93Å; K870-T901 PolarHBondContact NZ-OG1 2.86Å; T899-T901 PolarHBondContact O-N 2.84Å
902	I	50.8	Low	48.8	Very low	83 Å²	83	95.1 Å²	95.1	43%	0.426	49%	0.494	S	S	.	.			trans	-108.1	97.3	-171.7	-59.2	177.9	0	0	0	109.6	P900 Y956	P900-I902 WeakPolarHBondContact O-CG1 3.37Å; I902-Y956 HydrophobicContact CG2-CE1 4.37Å; I902-Y956 HydrophobicContact CD1-CD2 4.13Å; I902-Y956 WeakPolarHBondContact CD1-OH 3.26Å; I902-Y956 VanDerWaalsContact CD1-CE2 3.45Å; I902-Y956 HydrophobicContact CD1-CE1 3.79Å; I902-Y956 HydrophobicContact CD1-CD1 4.42Å; I902-Y956 HydrophobicContact CD1-CE2 3.45Å
903	H	41	Very low	48.4	Very low	141 Å²	141	93.1 Å²	93.1	65%	0.653	49%	0.494	S	S	*	.			trans	-68.5	128.4	173	-74	-91.1	0	0	0	110.7	E905	H903-E905 HydrophobicContact CB-CG 4.3Å; H903-E905 PolarHBondContact O-N 3.11Å
904	N	27.9	Very low	47.4	Very low	152 Å²	152	95.4 Å²	95.4	81%	0.813	51%	0.506	S	S	*	.			trans	-99.8	72.8	177.7	-152.5	42.5	0	0	0	108.8	N906	N904-N906 PolarHBondContact O-N 2.89Å
905	E	28.2	Very low	45.8	Very low	157 Å²	157	101 Å²	101	73%	0.734	54%	0.536	S	S	*	.			trans	-76.1	107.8	-178.1	-66.6	-165.2	156.1	0	0	111.5	H903	H903-E905 HydrophobicContact CB-CG 4.3Å; H903-E905 PolarHBondContact O-N 3.11Å
906	N	26	Very low	44	Very low	152 Å²	152	100.9 Å²	100.9	81%	0.813	55%	0.546	S	S	*	.			trans	-80.1	113.3	160.5	-77.8	-31.7	0	0	0	108.7	N904	N904-N906 PolarHBondContact O-N 2.89Å
907	N	30.5	Very low	41.9	Very low	144 Å²	144	106.4 Å²	106.4	77%	0.77	59%	0.585	S	S	*	*			trans	-139.1	147.9	161.7	-98	-43.7	0	0	0	110.4
908	N	27.6	Very low	39.8	Very low	147 Å²	147	110.3 Å²	110.3	79%	0.786	61%	0.613	S	S	*	*			trans	-72.6	156.8	174.3	-55.6	-65.1	0	0	0	110
909	D	33.9	Very low	37.5	Very low	139 Å²	139	115.7 Å²	115.7	74%	0.743	65%	0.651	S	S	*	*				-170.6	127.7	114.4	-105	4.7	0	0	0	115.2
910	N	31.7	Very low	35.5	Very low	111 Å²	111	119.8 Å²	119.8	59%	0.594	68%	0.68	S	S	*	*				60.4	110.1	129.1	-63.9	-31.7	0	0	0	122.7
911	N	30.1	Very low	33.5	Very low	128 Å²	128	123.7 Å²	123.7	68%	0.684	71%	0.708	S	S	*	*				100.6	141.5	116.6	-71.4	-18.2	0	0	0	122
912	N	31.7	Very low	31.7	Very low	154 Å²	154	127 Å²	127	82%	0.824	73%	0.733	S	S	*	*			trans	74.1	138.4	154.7	-63.9	-18.9	0	0	0	117.5
913	S	31	Very low	30.6	Very low	88 Å²	88	128.9 Å²	128.9	62%	0.615	75%	0.748	S	S	*	*			cis	-163.1	149	1.8	54.7	0	0	0	0	112.4
914	L	30.8	Very low	29.9	Very low	148 Å²	148	128.1 Å²	128.1	78%	0.775	75%	0.754	S	S	*	*			trans	64.5	141.3	161.2	-52.9	150.5	0	0	0	114.7
915	N	29.8	Very low	29.8	Very low	139 Å²	139	125.4 Å²	125.4	74%	0.743	75%	0.753	S	S	*	*			cis	-162.1	161.9	-1.3	-109.5	-8.4	0	0	0	107.8
916	S	31.4	Very low	29.9	Very low	91 Å²	91	122.1 Å²	122.1	64%	0.636	75%	0.752	S	S	*	*			cis	-166.3	147	-5.6	45.9	0	0	0	0	111.6
917	S	32	Very low	29.8	Very low	117 Å²	117	125.4 Å²	125.4	82%	0.818	76%	0.755	S	S	*	*			trans	77	146	154.5	-55	0	0	0	0	120.3
918	P	32.9	Very low	29.8	Very low	126 Å²	126	126.5 Å²	126.5	82%	0.818	76%	0.759	S	S	*	*			trans	-134.7	179.6	-159.9	42.3	-23.5	0	0	0	116.2
919	S	30.6	Very low	29.7	Very low	114 Å²	114	128.4 Å²	128.4	80%	0.797	76%	0.76	S	S	*	*			trans	-155.4	146.2	152.6	49.4	0	0	0	0	114
920	S	30.7	Very low	29.6	Very low	109 Å²	109	125.9 Å²	125.9	76%	0.762	76%	0.759	S	S	*	*			trans	-11.4	150.1	159.9	48.4	0	0	0	0	119.9
921	S	30.4	Very low	29.6	Very low	121 Å²	121	127 Å²	127	85%	0.846	76%	0.764	S	S	*	*			cis	-163.6	177.3	10	36.6	0	0	0	0	113.1
922	S	25.8	Very low	29.5	Very low	106 Å²	106	127 Å²	127	74%	0.741	77%	0.765	S	S	*	*			trans	-86.3	173.7	-174.7	55.5	0	0	0	0	116.4
923	T	29.4	Very low	29.2	Very low	122 Å²	122	126.3 Å²	126.3	75%	0.748	76%	0.761	S	S	*	*			trans	129.5	102.3	149.7	-51.5	0	0	0	0	110.7
924	T	25.6	Very low	29.3	Very low	126 Å²	126	129.1 Å²	129.1	77%	0.773	77%	0.774	S	S	*	*				82.2	133	59.4	-50.3	0	0	0	0	114.6
925	A	26.3	Very low	29.2	Very low	95 Å²	95	128.6 Å²	128.6	79%	0.785	77%	0.773	S	S	*	*			trans	91.5	165.2	161	0	0	0	0	0	121.5
926	A	29.6	Very low	29.2	Very low	87 Å²	87	132.8 Å²	132.8	72%	0.719	78%	0.78	S	S	*	*			trans	68.6	121.9	-176.4	0	0	0	0	0	116.4
927	Y	24.2	Very low	29.3	Very low	221 Å²	221	133.3 Å²	133.3	87%	0.867	77%	0.772	S	S	*	*				58.1	128.2	60.1	-76.2	-101.2	0	0	0	112.8
928	I	30.7	Very low	29.3	Very low	168 Å²	168	129.4 Å²	129.4	86%	0.862	75%	0.75	S	S	*	*				-154.6	165.1	82.2	-92.1	163.5	0	0	0	112.8
929	K	25.8	Very low	29.5	Very low	187 Å²	187	127.7 Å²	127.7	81%	0.813	73%	0.73	S	S	*	*			trans	-118.6	129.5	-169.7	179.8	-174.3	-175.3	-179.2	0	111.3
930	A	31.1	Very low	29.7	Very low	86 Å²	86	129.3 Å²	129.3	71%	0.711	72%	0.722	S	S	*	*			trans	-148	117.3	166.7	0	0	0	0	0	108.3
931	N	31.1	Very low	30	Very low	133 Å²	133	130.8 Å²	130.8	71%	0.711	72%	0.717	S	S	*	*				64.2	138.2	77	-76.2	-5.5	0	0	0	113.8
932	N	28.7	Very low	30.2	Very low	130 Å²	130	131.8 Å²	131.8	70%	0.695	71%	0.713	S	S	*	*			cis	-173.7	151.2	-28.6	-121.2	-17.5	0	0	0	107.2
933	N	26.4	Very low	30.5	Very low	138 Å²	138	131.8 Å²	131.8	74%	0.738	71%	0.71	S	S	*	*			trans	17.9	114.7	156.7	-57	-21	0	0	0	120.5
934	T	31.4	Very low	30.5	Very low	147 Å²	147	135.6 Å²	135.6	90%	0.902	72%	0.716	S	S	*	*			trans	-134.8	127.6	134	47.7	0	0	0	0	110.5
935	N	28.6	Very low	30.8	Very low	138 Å²	138	135.5 Å²	135.5	74%	0.738	72%	0.718	S	S	*	*			trans	-78.6	143.2	177.2	-69.7	-54.5	0	0	0	111.5
936	Y	30.1	Very low	30.7	Very low	227 Å²	227	138.3 Å²	138.3	89%	0.89	72%	0.72	S	S	*	*			trans	-156	130.3	133.5	-99.2	-67.8	0	0	0	109.8
937	H	34.1	Very low	30.7	Very low	102 Å²	102	142.4 Å²	142.4	47%	0.472	73%	0.726	S	S	.	*			trans	-69.7	167.8	-174	-73.9	-110	0	0	0	113.2	K745 T746	K745-H937 VanDerWaalsContact CB-C 3.48Å; K745-H937 HydrophobicContact CB-CB 3.42Å; K745-H937 VanDerWaalsContact CB-CB 3.42Å; K745-H937 WeakPolarHBondContact CD-O 3.46Å; K745-H937 WeakPolarHBondContact CE-O 3.37Å; K745-H937 HydrophobicContact CG-CB 4.47Å; K745-H937 WeakPolarHBondContact CG-O 3.41Å; K745-H937 PolarHBondContact NZ-O 3.36Å; T746-H937 PolarHBondContact O-ND1 3.12Å; T746-H937 VanDerWaalsContact OG1-C 3.32Å; T746-H937 WeakPolarHBondContact OG1-CA 3.45Å; T746-H937 WeakPolarHBondContact OG1-CB 3.12Å
938	G	32	Very low	30.7	Very low	35 Å²	35	138.2 Å²	138.2	36%	0.361	72%	0.723	S	S	.	*			trans	-148.6	-4.5	177.5	0	0	0	0	0	127.7	T746	T746-G938 VanDerWaalsContact CB-N 3.33Å; T746-G938 PolarHBondContact OG1-N 3.4Å
939	K	36.4	Very low	30.5	Very low	90 Å²	90	135.4 Å²	135.4	39%	0.391	72%	0.715	S	S	.	*			trans	-15	148.7	173.8	-82.2	177.5	-161.1	119.2	0	115.4	M744 K745 T746	M744-K939 WeakPolarHBondContact CA-O 3.5Å; M744-K939 WeakPolarHBondContact CB-O 3.26Å; M744-K939 WeakPolarHBondContact CG-O 3.43Å; K745-K939 VanDerWaalsContact C-N 3.26Å; K745-K939 VanDerWaalsContact CA-N 3.3Å; K745-K939 WeakPolarHBondContact O-CD 3.17Å; K745-K939 WeakPolarHBondContact O-CE 3.45Å; K745-K939 WeakPolarHBondContact O-CG 3.45Å; K745-K939 PolarHBondContact O-NZ 3.09Å; T746-K939 VanDerWaalsContact CA-N 3.27Å; T746-K939 VanDerWaalsContact CG2-N 3.34Å
940	K	35.2	Very low	30.4	Very low	147 Å²	147	131.8 Å²	131.8	64%	0.639	71%	0.708	S	S	*	*			cis	-168.7	151	6.4	-126.6	176.8	168.7	-137.6	0	109.3
941	H	37.5	Very low	30.1	Very low	140 Å²	140	134.3 Å²	134.3	65%	0.648	71%	0.705	S	S	*	*			trans	60.8	152.4	156.5	-64.4	-59.6	0	0	0	118.5
942	N	33.8	Very low	29.7	Very low	143 Å²	143	136.9 Å²	136.9	77%	0.765	71%	0.706	S	S	*	*			cis	-126.3	169.7	1.5	-115.7	-3.5	0	0	0	111.7
943	P	33	Very low	29.6	Very low	105 Å²	105	136 Å²	136	68%	0.682	71%	0.706	S	S	*	*			trans	-114.3	161.8	-141.3	41.4	-36.8	0	0	0	116.7
944	K	29.3	Very low	29.5	Very low	203 Å²	203	134.9 Å²	134.9	88%	0.883	69%	0.694	S	S	*	*			trans	-145	151.6	130.5	-105.1	173	-178.7	-179.1	0	108.8
945	P	31.4	Very low	29.2	Very low	124 Å²	124	133.4 Å²	133.4	81%	0.805	68%	0.677	S	S	*	*			trans	-88.9	142.9	-165.6	-6.7	26.1	0	0	0	113.5
946	N	25	Very low	29	Very low	154 Å²	154	133.9 Å²	133.9	82%	0.824	67%	0.67	S	S	*	*			trans	-71.7	144	154.8	-67.3	-17.8	0	0	0	109.2
947	M	28.3	Very low	28.9	Very low	172 Å²	172	128.4 Å²	128.4	85%	0.847	65%	0.651	S	S	*	*			trans	-148.7	106.1	147.8	-110.7	-58.5	165	0	0	110.7
948	T	24	Very low	28.4	Very low	133 Å²	133	131.6 Å²	131.6	82%	0.816	67%	0.67	S	S	*	*			trans	-97.1	101.6	173.3	47.1	0	0	0	0	109.8
949	T	26.3	Very low	28.2	Very low	110 Å²	110	135.1 Å²	135.1	68%	0.675	69%	0.685	S	S	*	*			trans	-139.7	109.2	163.3	43.6	0	0	0	0	110.4
950	T	24	Very low	27.8	Very low	111 Å²	111	135.1 Å²	135.1	68%	0.681	70%	0.696	S	S	*	*			trans	1.7	152.1	133.9	32.9	0	0	0	0	120.8
951	E	24.5	Very low	27.5	Very low	138 Å²	138	138.5 Å²	138.5	65%	0.645	71%	0.711	S	S	*	*			trans	95.9	150.9	131	-84.6	160.8	163.2	0	0	124.3
952	Y	24.1	Very low	27.2	Very low	188 Å²	188	135.8 Å²	135.8	74%	0.737	71%	0.708	S	S	*	*			trans	55.5	85.6	163.4	-54.4	-52.3	0	0	0	123
953	T	25.4	Very low	27.3	Very low	112 Å²	112	134.2 Å²	134.2	69%	0.687	71%	0.708	S	S	*	*				17.5	120.3	113.5	-32.2	0	0	0	0	119.5
954	K	25.4	Very low	27.1	Very low	114 Å²	114	137.4 Å²	137.4	50%	0.496	72%	0.719	S	S	.	*			trans	-140.8	90.9	143.9	-86.5	-167	174.7	178.4	0	111.8	Y956	K954-Y956 HydrophobicContact CB-CE2 4.41Å; K954-Y956 HydrophobicContact CD-CE2 4.01Å; K954-Y956 HydrophobicContact CG-CE2 3.86Å
955	Q	24.8	Very low	27.1	Very low	115 Å²	115	137 Å²	137	54%	0.537	72%	0.717	S	S	.	*			trans	-127.4	112.7	146.1	-108.3	-179.1	12.9	0	0	107.8	S348 K957	S348-Q955 PolarHBondContact O-NE2 3.5Å; S348-Q955 VanDerWaalsContact OG-CB 3.29Å; S348-Q955 WeakPolarHBondContact OG-CB 3.5Å; S348-Q955 VanDerWaalsContact OG-CD 3.27Å; S348-Q955 VanDerWaalsContact OG-CG 3.26Å; S348-Q955 WeakPolarHBondContact OG-CG 3.21Å; Q955-K957 PolarHBondContact O-N 3.24Å; Q955-K957 VanDerWaalsContact O-N 3.13Å
956	Y	24.8	Very low	27	Very low	149 Å²	149	140 Å²	140	58%	0.584	72%	0.721	S	S	*	*			trans	-79.8	95	171.5	-70.1	-82.8	0	0	0	109	I902 K954	I902-Y956 HydrophobicContact CG2-CE1 4.37Å; I902-Y956 HydrophobicContact CD1-CD2 4.13Å; I902-Y956 WeakPolarHBondContact CD1-OH 3.26Å; I902-Y956 VanDerWaalsContact CD1-CE2 3.45Å; I902-Y956 HydrophobicContact CD1-CE1 3.79Å; I902-Y956 HydrophobicContact CD1-CD1 4.42Å; I902-Y956 HydrophobicContact CD1-CE2 3.45Å; K954-Y956 HydrophobicContact CB-CE2 4.41Å; K954-Y956 HydrophobicContact CD-CE2 4.01Å; K954-Y956 HydrophobicContact CG-CE2 3.86Å
957	K	26.9	Very low	27	Very low	112 Å²	112	138 Å²	138	49%	0.487	72%	0.717	S	S	.	*			trans	-112.4	92	169.6	-160.1	180	-171.5	175.3	0	109.8	Q955 T959 H966	Q955-K957 PolarHBondContact O-N 3.24Å; Q955-K957 VanDerWaalsContact O-N 3.13Å; K957-T959 HydrophobicContact CD-CG2 4.08Å; K957-T959 PolarHBondContact O-N 2.91Å; K957-T959 HydrophobicContact CG-CG2 4.01Å; K957-T959 VanDerWaalsContact C-N 3.31Å; K957-H966 WeakPolarHBondContact CE-CE1 3.32Å; K957-H966 PolarHBondContact NZ-CE1 2.79Å; K957-H966 VanDerWaalsContact NZ-CE1 3.26Å; K957-H966 PolarHBondContact NZ-NE2 3.03Å; K957-H966 VanDerWaalsContact NZ-NE2 3.17Å
958	L	24.9	Very low	26.9	Very low	169 Å²	169	136.2 Å²	136.2	89%	0.885	72%	0.716	S	S	*	*			trans	-61.2	90.7	166.5	-83.4	157.3	0	0	0	109.5	S960	L958-S960 PolarHBondContact O-N 3.3Å
959	T	27.8	Very low	27	Very low	108 Å²	108	134.5 Å²	134.5	66%	0.663	71%	0.705	S	S	*	*			trans	-83	65.4	179.1	41.3	0	0	0	0	111.7	K957 K961	K957-T959 HydrophobicContact CD-CG2 4.08Å; K957-T959 PolarHBondContact O-N 2.91Å; K957-T959 HydrophobicContact CG-CG2 4.01Å; K957-T959 VanDerWaalsContact C-N 3.31Å; T959-K961 PolarHBondContact O-N 2.96Å
960	S	26.7	Very low	26.9	Very low	91 Å²	91	136.9 Å²	136.9	64%	0.636	71%	0.709	S	S	*	*			trans	-55.3	126.2	159.3	-178	0	0	0	0	109.1	L958 S962	L958-S960 PolarHBondContact O-N 3.3Å; S960-S962 PolarHBondContact O-N 3.38Å
961	K	28.7	Very low	27	Very low	217 Å²	217	139.6 Å²	139.6	94%	0.943	72%	0.718	S	S	*	*	S	Bend	trans	-79.4	57.6	-172.1	-71.8	-176.5	176.9	176.1	0	112.4	T959	T959-K961 PolarHBondContact O-N 2.96Å
962	S	33	Very low	27	Very low	84 Å²	84	143.7 Å²	143.7	59%	0.587	73%	0.728	S	S	*	*			trans	-150.8	133.3	174.4	59.9	0	0	0	0	114	S960	S960-S962 PolarHBondContact O-N 3.38Å
963	S	34.7	Very low	27	Very low	109 Å²	109	143.2 Å²	143.2	76%	0.762	75%	0.752	S	S	*	*			trans	73.6	111.1	175.1	80.3	0	0	0	0	117.9	K965	S963-K965 PolarHBondContact O-N 3.37Å
964	N	29.2	Very low	27.1	Very low	173 Å²	173	144.8 Å²	144.8	93%	0.925	76%	0.755	S	S	*	*			trans	-84.4	85.1	173.3	-74.7	-18.9	0	0	0	111.2
965	K	29.5	Very low	27.2	Very low	193 Å²	193	146.4 Å²	146.4	84%	0.839	77%	0.769	S	S	*	*			trans	-139.2	96.2	168.5	-70.5	-175.7	-178.6	173.1	0	111	S963	S963-K965 PolarHBondContact O-N 3.37Å
966	H	28.6	Very low	27.3	Very low	189 Å²	189	148.1 Å²	148.1	88%	0.875	78%	0.782	S	S	*	*			trans	-90.5	140.8	166.4	-91.4	-73.1	0	0	0	110.3	K957	K957-H966 WeakPolarHBondContact CE-CE1 3.32Å; K957-H966 PolarHBondContact NZ-CE1 2.79Å; K957-H966 VanDerWaalsContact NZ-CE1 3.26Å; K957-H966 PolarHBondContact NZ-NE2 3.03Å; K957-H966 VanDerWaalsContact NZ-NE2 3.17Å
967	C	24.9	Very low	27.4	Very low	111 Å²	111	148.1 Å²	148.1	75%	0.75	79%	0.793	S	S	*	*			trans	-133	121.8	172.7	-178.9	0	0	0	0	107.4
968	T	27.1	Very low	27.5	Very low	134 Å²	134	150.3 Å²	150.3	82%	0.822	81%	0.812	S	S	*	*			trans	-96.8	132.6	172.1	35.2	0	0	0	0	109.4
969	V	26.1	Very low	27.6	Very low	98 Å²	98	149.1 Å²	149.1	59%	0.594	81%	0.808	S	S	*	*			trans	-114.5	118.2	171.7	178	0	0	0	0	106.9
970	E	23.8	Very low	27.6	Very low	160 Å²	160	152 Å²	152	75%	0.748	82%	0.818	S	S	*	*			trans	-92.5	130.9	169.1	-66.3	179.7	162.6	0	0	108.4
971	L	26.3	Very low	27.7	Very low	168 Å²	168	156.7 Å²	156.7	88%	0.88	83%	0.832	S	S	*	*			trans	-105.8	129.7	167.2	-83.1	164.8	0	0	0	107.3
972	W	23.8	Very low	27.6	Very low	223 Å²	223	151.7 Å²	151.7	85%	0.845	82%	0.823	S	S	*	*			trans	-88.6	156.4	176	-74.7	42.9	0	0	0	110.1
973	S	24.6	Very low	27.1	Very low	178 Å²	178	157.8 Å²	157.8	100%	1.245	84%	0.844	S	S	*	*			trans	-95.6	0	163.6	61.6	0	0	0	0	110.1

Retrieved 973 of 973 residues in 1766.8 ms (Link to these results)

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