A0A077ZG11_TRITR Loading...

DNA-directed RNA polymerase subunit beta

DNA-dependent RNA polymerase catalyzes the transcription of DNA into RNA using the four ribonucleoside triphosphates as substrates.

AlphaFold DB , UniProt , Accession A0A077ZG11, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,083 aa.

						>A0A077ZG11_TRITR|A0A077ZG11
MGKVENNIRAPVKELKVRHGFLFRVFSLALQEKWLLVPEFLKVRGLVKQHIESFNYFVDVEVIAPRSYNLCKMDPSFYFKYLDVRVETPNVEDGLMTCPITPHECRLRDMTYSAPILVDVEYTRGNERVQRTNLPLGRLPIMLHSNRCVLAGKSEKELMGMKECPLDPGGYFIARGSERVILIQEQLSKNRMLVGKYPSGEPFCEVLRQCWKNLRCLTCVNSFFKDIPICVMFRAMGIECDQEMAYLMGCEEAYVEHHILSLDESLKANITTQHSALRYLGTRVKTFLQYQSDTERNLERDALDFLHIVNFPADGLRHNMRRKAIYMGLMVQRIIQTEIGLCSYDDPDFYGNKRLELAGSLIAILFEDLFKRLNTELVAIADKTLSKQRATKFDIVKCIRKEVITTGLATGNWVVRRFRMDRHGVTQVLSRLSYISALGMMTRINSRLERCRQVGGPRALQPSQWGMLCPADTPEGEPCGLIKSLALMTHITTDSEAENLMLILFDLGVEDVIVFNGNDLSKGGYYYVFVNGNIVGVTPRPHEIVSEVRYLRRCGIVHEFVSVFLYELHRSVYIASDGGRLCRPYILIENGLPKLEQHHLDELASGKRTFNDCVTDGLLEYLDVNEENDANIAVYEKDINETTTHLEIEPFTILGVCAGLIPYPHHNQAPRNTYQCAMGKQAMGFVACNQQCRVDSLLYGLVYSQKPMVKTKTIDLLSIETLPAGTNATVAVMSYSGYDIEDAIILNRASLDRGFGRCTVHRSAKCALRRYPNGMSDRVNGPSIEVATGRCIWKHEALDADGIVRAGALVQNNQVLVNKMVPVTPGEVLTSLDNQPLRVEAEYKESPLVYRGPGPCYVEKVLITSNVDEHYLVKVLYRQTRVPELGDKFSSRHGQKGVCGLIVPQEDLPFNANGMSPDLIMNPHGFPSRMTVGKLMELLAGKVGVLTGRQRYGTVFHGDQMADIREELIHLGLNYHGKEMLTSGITGMPLSAYIYFGPIYYQKLKHMVMDKLHARSKGPREILTRQPTEGRLKEGGLRLGEMERDCLICYGTSLTLYERMMLSSDRTPIDVCSQCGLVSSKGW
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.4	Very low	40	Very low	250 Å²	250	150 Å²	150	100%	1.232	81%	0.814	S	S	*	*				0	122.9	0	-76.7	179.2	169.7	0	0	108.5
2	G	38.7	Very low	39.6	Very low	87 Å²	87	148.4 Å²	148.4	90%	0.897	81%	0.812	S	S	*	*			trans	56.3	108.4	159.8	0	0	0	0	0	120.8
3	K	40.9	Very low	39.1	Very low	201 Å²	201	151.8 Å²	151.8	87%	0.874	81%	0.814	S	S	*	*			trans	-123.8	131.1	172	-105.4	-171.2	178	-177.7	0	111.2
4	V	45.2	Very low	39	Very low	119 Å²	119	155.1 Å²	155.1	72%	0.721	82%	0.822	S	S	*	*			trans	80.4	101.1	140.1	-170.8	0	0	0	0	121.1
5	E	44.4	Very low	38.6	Very low	164 Å²	164	155.9 Å²	155.9	77%	0.766	83%	0.825	S	S	*	*				37.9	116	124.7	-66.6	176.9	161.1	0	0	121.6
6	N	41.1	Very low	38.4	Very low	136 Å²	136	159.2 Å²	159.2	73%	0.727	83%	0.83	S	S	*	*				71.7	141.5	89.2	-73.6	-19.5	0	0	0	114.4
7	N	39.6	Very low	38.1	Very low	122 Å²	122	156.9 Å²	156.9	65%	0.652	83%	0.825	S	S	*	*			cis	-170.6	130.8	-9	-99.7	-27	0	0	0	104.5
8	I	39.8	Very low	37.8	Very low	133 Å²	133	161.3 Å²	161.3	68%	0.682	83%	0.828	S	S	*	*				80.6	109.6	76.2	-67.4	-179.5	0	0	0	116.6
9	R	36.7	Very low	37.7	Very low	226 Å²	226	162.9 Å²	162.9	85%	0.853	83%	0.831	S	S	*	*			trans	65.6	120.7	131.3	-64.5	178.7	-175.1	174.9	-4.2	125.3
10	A	32.8	Very low	37.2	Very low	95 Å²	95	158.1 Å²	158.1	79%	0.785	82%	0.824	S	S	*	*				69.6	167.3	111.1	0	0	0	0	0	122
11	P	45.1	Very low	37.1	Very low	117 Å²	117	160.8 Å²	160.8	76%	0.76	83%	0.83	S	S	*	*				-119.2	-175.1	-127.8	34.2	-12.2	0	0	0	115.9
12	V	35.3	Very low	36.8	Very low	131 Å²	131	156 Å²	156	79%	0.794	81%	0.808	S	S	*	*			trans	153.4	140.5	142.6	166	0	0	0	0	114.1
13	K	33.9	Very low	36.4	Very low	192 Å²	192	161 Å²	161	84%	0.835	81%	0.806	S	S	*	*			trans	-11	142.9	164	-62.6	171.3	173.3	177.8	0	120.6
14	E	37.1	Very low	35.9	Very low	199 Å²	199	162.5 Å²	162.5	93%	0.93	81%	0.806	S	S	*	*				176.4	144	119.1	-99.9	179.9	-177.5	0	0	114
15	L	33.5	Very low	35.6	Very low	166 Å²	166	163 Å²	163	87%	0.869	81%	0.809	S	S	*	*			trans	-76	138	172.6	-89.1	110.5	0	0	0	111.8
16	K	35.1	Very low	35.5	Very low	209 Å²	209	163.9 Å²	163.9	91%	0.909	81%	0.811	S	S	*	*			trans	-168.7	116.6	141.6	-108.7	165.9	-171.9	174.6	0	113.2
17	V	33.1	Very low	36	Very low	121 Å²	121	159.7 Å²	159.7	73%	0.733	79%	0.792	S	S	*	*			trans	-14.7	131	155.2	-174.9	0	0	0	0	116.6
18	R	33.6	Very low	36.9	Very low	236 Å²	236	161.8 Å²	161.8	89%	0.891	80%	0.802	S	S	*	*				178.5	115.5	126.7	-97.3	166.3	-175.7	-167.5	0.7	112.4
19	H	34.3	Very low	38.4	Very low	191 Å²	191	158.5 Å²	158.5	88%	0.884	80%	0.795	S	S	*	*			trans	6	126.1	155.1	-67	74.5	0	0	0	119.6
20	G	29.4	Very low	40.4	Very low	67 Å²	67	148.9 Å²	148.9	69%	0.691	76%	0.76	S	S	*	*			trans	118.7	79.3	151.9	0	0	0	0	0	114.4
21	F	33.8	Very low	42.7	Very low	215 Å²	215	151.1 Å²	151.1	94%	0.943	75%	0.754	S	S	*	*			trans	-157.2	111.6	149.6	-115.5	-82.1	0	0	0	110.1
22	L	29.7	Very low	44.4	Very low	148 Å²	148	150.8 Å²	150.8	78%	0.775	74%	0.743	S	S	*	*			trans	-65.8	148.4	173	-88.6	115.2	0	0	0	111.8
23	F	30.3	Very low	47	Very low	192 Å²	192	145.3 Å²	145.3	84%	0.842	71%	0.708	S	S	*	*			trans	55.4	89.8	156.7	-80.2	-94.3	0	0	0	119.1
24	R	30.3	Very low	49.6	Very low	234 Å²	234	139.9 Å²	139.9	88%	0.883	68%	0.682	S	S	*	*			trans	-163.2	73.9	144.4	-113.3	179.5	-175.7	-175.8	1.7	109.7	F26	R24-F26 PolarHBondContact O-N 2.65Å
25	V	39.1	Very low	52.1	Low	129 Å²	129	131.8 Å²	131.8	78%	0.782	65%	0.646	S	S	*	*			trans	-81.8	108.5	163.8	-179.9	0	0	0	0	105.7	S27	V25-S27 PolarHBondContact O-N 2.9Å
26	F	42.6	Very low	54.9	Low	183 Å²	183	123.9 Å²	123.9	80%	0.803	60%	0.604	S	S	*	*			trans	-57.5	111.4	162.8	-82.6	-91.3	0	0	0	106.8	R24 L28	R24-F26 PolarHBondContact O-N 2.65Å; F26-L28 PolarHBondContact O-N 3.39Å
27	S	50.7	Low	57.6	Low	47 Å²	47	114 Å²	114	33%	0.329	56%	0.561	S	S	.	*			trans	-59.1	113.6	174.2	62.8	0	0	0	0	107.8	V25 A29	V25-S27 PolarHBondContact O-N 2.9Å; S27-A29 PolarHBondContact O-N 3.48Å
28	L	59.3	Low	60.4	Low	166 Å²	166	109.5 Å²	109.5	87%	0.869	54%	0.535	S	S	*	.			trans	-56.1	125.3	171.4	-78.4	151.9	0	0	0	107.8	F26 L30	F26-L28 PolarHBondContact O-N 3.39Å; L28-L30 PolarHBondContact O-N 3.17Å
29	A	71.5	Confident	63.1	Low	64 Å²	64	100 Å²	100	53%	0.529	50%	0.5	S	S	.	.			trans	-58.5	131.6	177.8	0	0	0	0	0	109.7	S27 Q31	S27-A29 PolarHBondContact O-N 3.48Å; A29-Q31 PolarHBondContact O-N 2.89Å; A29-Q31 VanDerWaalsContact O-N 3.12Å
30	L	78.3	Confident	65.8	Low	24 Å²	24	91 Å²	91	13%	0.126	46%	0.459	C	S	.	.			trans	-62.4	114.1	177.9	-68.7	169.6	0	0	0	109.3	L28 K33 P593 L595 L600	L28-L30 PolarHBondContact O-N 3.17Å; L30-K33 HydrophobicContact CB-CB 4.43Å; L30-P593 HydrophobicContact CD1-CB 4.32Å; L30-L595 HydrophobicContact CD1-CD2 4.4Å; L30-L595 WeakPolarHBondContact CD1-O 3.26Å; L30-L595 VanDerWaalsContact CD2-O 3.29Å; L30-L595 WeakPolarHBondContact CD2-O 3.38Å; L30-L600 HydrophobicContact CB-CD1 4.08Å; L30-L600 HydrophobicContact CD2-CD1 4.42Å
31	Q	80.1	Confident	68.7	Low	142 Å²	142	89 Å²	89	66%	0.664	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	135.6	178	-64.3	-174.2	-7.4	0	0	108.6	A29 K33 Q597 L600	A29-Q31 PolarHBondContact O-N 2.89Å; A29-Q31 VanDerWaalsContact O-N 3.12Å; Q31-K33 VanDerWaalsContact C-N 3.33Å; Q31-K33 PolarHBondContact O-N 3.42Å; Q31-Q597 PolarHBondContact O-NE2 3.09Å; Q31-Q597 PolarHBondContact O-OE1 3.14Å; Q31-L600 WeakPolarHBondContact O-CD1 3.43Å
32	E	81.2	Confident	71.2	Confident	111 Å²	111	85 Å²	85	52%	0.519	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	23.7	175.5	-49.2	-165.4	150.7	0	0	116.7	W34 L35	E32-W34 PolarHBondContact O-N 3.25Å; E32-L35 HydrophobicContact CB-CD1 3.8Å; E32-L35 HydrophobicContact CB-CG 4.12Å; E32-L35 WeakPolarHBondContact O-CB 3.42Å; E32-L35 WeakPolarHBondContact O-CG 3.31Å; E32-L35 PolarHBondContact O-N 3.09Å
33	K	89.3	Confident	73.7	Confident	16 Å²	16	79.8 Å²	79.8	7%	0.07	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-50.8	-28	174.3	75.4	-179.9	-179.8	172.4	0	114.3	L30 Q31 L35 L36 E636 I648 E649	L30-K33 HydrophobicContact CB-CB 4.43Å; Q31-K33 VanDerWaalsContact C-N 3.33Å; Q31-K33 PolarHBondContact O-N 3.42Å; K33-L35 PolarHBondContact O-N 3.4Å; K33-L35 VanDerWaalsContact O-N 3.07Å; K33-L36 WeakPolarHBondContact O-CB 3.31Å; K33-L36 PolarHBondContact O-N 3.27Å; K33-L36 VanDerWaalsContact O-N 3.12Å; K33-E636 VanDerWaalsContact CD-OE1 3.26Å; K33-E636 WeakPolarHBondContact CD-OE1 3.41Å; K33-E636 WeakPolarHBondContact CE-OE1 3.33Å; K33-E636 IonicContact NZ-OE1 3.18Å; K33-E636 PolarHBondContact NZ-OE1 2.73Å; K33-E636 IonicContact NZ-OE2 2.62Å; K33-I648 VanDerWaalsContact CD-O 3.23Å; K33-I648 WeakPolarHBondContact CD-O 3.43Å; K33-I648 WeakPolarHBondContact CE-O 3.46Å; K33-I648 PolarHBondContact NZ-O 3.33Å; K33-E649 WeakPolarHBondContact CE-OE1 3.38Å; K33-E649 WeakPolarHBondContact CG-OE1 3.44Å
34	W	89.1	Confident	76.1	Confident	77 Å²	77	72.5 Å²	72.5	29%	0.292	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-57.9	-19.7	176.6	80.5	-84.4	0	0	0	114.2	E32 L36 V37 P38 E649 K712	E32-W34 PolarHBondContact O-N 3.25Å; W34-L36 PolarHBondContact O-N 3.13Å; W34-V37 WeakPolarHBondContact O-CB 3.09Å; W34-V37 WeakPolarHBondContact O-CG2 3.45Å; W34-V37 PolarHBondContact O-N 3.45Å; W34-V37 VanDerWaalsContact O-N 3.1Å; W34-P38 HydrophobicContact CZ3-CG 4.36Å; W34-P38 WeakPolarHBondContact O-CD 3.14Å; W34-E649 WeakPolarHBondContact CA-OE1 3.36Å; W34-E649 HydrophobicContact CB-CG 3.84Å; W34-E649 VanDerWaalsContact CB-OE1 3.27Å; W34-E649 WeakPolarHBondContact CB-OE1 3.33Å; W34-E649 PolarHBondContact N-OE1 3.49Å; W34-K712 HydrophobicContact CD2-CD 4.35Å; W34-K712 HydrophobicContact CE3-CD 4.26Å
35	L	89.8	Confident	78.3	Confident	30 Å²	30	62.2 Å²	62.2	16%	0.157	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-63	-19.6	175.5	-68.8	174.8	0	0	0	113.3	E32 K33 V37 P38 L603 A604	E32-L35 HydrophobicContact CB-CD1 3.8Å; E32-L35 HydrophobicContact CB-CG 4.12Å; E32-L35 WeakPolarHBondContact O-CB 3.42Å; E32-L35 WeakPolarHBondContact O-CG 3.31Å; E32-L35 PolarHBondContact O-N 3.09Å; K33-L35 PolarHBondContact O-N 3.4Å; K33-L35 VanDerWaalsContact O-N 3.07Å; L35-V37 VanDerWaalsContact C-N 3.26Å; L35-V37 PolarHBondContact O-N 2.96Å; L35-P38 WeakPolarHBondContact O-CD 3.49Å; L35-P38 VanDerWaalsContact O-CG 3.24Å; L35-P38 WeakPolarHBondContact O-CG 3.36Å; L35-L603 HydrophobicContact CB-CD2 3.83Å; L35-A604 HydrophobicContact CD1-CB 4.04Å
36	L	92.3	Very high	80.3	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64	-31.6	171.7	-70.5	172	0	0	0	112.8	K33 W34 F40 I586 L595 L600 L603 F610 L619 I648	K33-L36 WeakPolarHBondContact O-CB 3.31Å; K33-L36 PolarHBondContact O-N 3.27Å; K33-L36 VanDerWaalsContact O-N 3.12Å; W34-L36 PolarHBondContact O-N 3.13Å; L36-F40 WeakPolarHBondContact O-CB 3.31Å; L36-F40 PolarHBondContact O-N 3.44Å; L36-I586 HydrophobicContact CD1-CD1 4.27Å; L36-I586 HydrophobicContact CD1-CG1 4.44Å; L36-L595 HydrophobicContact CD1-CD2 3.79Å; L36-L600 HydrophobicContact CG-CD2 4.23Å; L36-L603 HydrophobicContact CD2-CD1 3.62Å; L36-F610 HydrophobicContact CD2-CD2 4.32Å; L36-F610 HydrophobicContact CD2-CE2 4.48Å; L36-L619 HydrophobicContact CD1-CD2 4.37Å; L36-L619 HydrophobicContact CD2-CD1 4.1Å; L36-I648 HydrophobicContact CB-CG2 3.88Å; L36-I648 HydrophobicContact CD1-CD1 4.43Å; L36-I648 HydrophobicContact CD1-CG1 4.3Å; L36-I648 HydrophobicContact CD1-CG2 4.02Å
37	V	92.3	Very high	82.4	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-66	-51.6	-178.2	-172	0	0	0	0	112.6	W34 L35 E39 F40 L41 L487 M488 I648 E649 F651 T652 L716	W34-V37 WeakPolarHBondContact O-CB 3.09Å; W34-V37 WeakPolarHBondContact O-CG2 3.45Å; W34-V37 PolarHBondContact O-N 3.45Å; W34-V37 VanDerWaalsContact O-N 3.1Å; L35-V37 VanDerWaalsContact C-N 3.26Å; L35-V37 PolarHBondContact O-N 2.96Å; V37-E39 VanDerWaalsContact C-N 3.33Å; V37-E39 PolarHBondContact O-N 3.06Å; V37-F40 PolarHBondContact O-N 3.39Å; V37-L41 HydrophobicContact CG1-CD1 4.35Å; V37-L41 WeakPolarHBondContact O-CG 3.36Å; V37-L41 PolarHBondContact O-N 3.01Å; V37-L487 HydrophobicContact CG1-CD2 3.94Å; V37-M488 HydrophobicContact CB-SD 4.47Å; V37-M488 HydrophobicContact CG1-CG 4.25Å; V37-M488 HydrophobicContact CG1-SD 4.31Å; V37-M488 HydrophobicContact CG2-SD 3.84Å; V37-I648 HydrophobicContact CG2-CG2 4.22Å; V37-E649 HydrophobicContact CG2-CB 4.01Å; V37-E649 HydrophobicContact CG2-CG 3.91Å; V37-F651 HydrophobicContact CG2-CZ 4.3Å; V37-T652 HydrophobicContact CG1-CG2 4.07Å; V37-T652 HydrophobicContact CG2-CG2 4.01Å; V37-L716 HydrophobicContact CB-CD1 4.43Å; V37-L716 HydrophobicContact CG1-CD1 3.67Å
38	P	91.5	Very high	84.1	Confident	28 Å²	28	50.1 Å²	50.1	18%	0.182	25%	0.254	C	S	.	.	H	α-helix	trans	-62.1	-38.4	175.6	20.4	-29.1	0	0	0	112.6	W34 L35 L41 K42 L716	W34-P38 HydrophobicContact CZ3-CG 4.36Å; W34-P38 WeakPolarHBondContact O-CD 3.14Å; L35-P38 WeakPolarHBondContact O-CD 3.49Å; L35-P38 VanDerWaalsContact O-CG 3.24Å; L35-P38 WeakPolarHBondContact O-CG 3.36Å; P38-L41 PolarHBondContact O-N 2.9Å; P38-K42 WeakPolarHBondContact O-CG 3.34Å; P38-K42 PolarHBondContact O-N 2.92Å; P38-L716 HydrophobicContact CB-CD2 3.59Å; P38-L716 HydrophobicContact CG-CD2 4.02Å
39	E	90	Very high	85.5	Confident	36 Å²	36	42.8 Å²	42.8	17%	0.168	22%	0.215	C	C	.	.	H	α-helix	trans	-64.5	-42.3	176.3	-70	-52.3	129	0	0	112.1	V37 L41 K42 V43 L603 F610	V37-E39 VanDerWaalsContact C-N 3.33Å; V37-E39 PolarHBondContact O-N 3.06Å; E39-L41 VanDerWaalsContact C-N 3.33Å; E39-L41 PolarHBondContact O-N 2.83Å; E39-K42 WeakPolarHBondContact O-CB 3.48Å; E39-K42 PolarHBondContact O-N 3.39Å; E39-K42 WeakPolarHBondContact OE1-CE 3.35Å; E39-K42 IonicContact OE1-NZ 3.42Å; E39-K42 PolarHBondContact OE1-NZ 3.33Å; E39-K42 IonicContact OE2-NZ 2.72Å; E39-V43 WeakPolarHBondContact O-CG2 3.21Å; E39-V43 PolarHBondContact O-N 3.29Å; E39-V43 VanDerWaalsContact O-N 3.1Å; E39-L603 HydrophobicContact CG-CD1 4.17Å; E39-L603 HydrophobicContact CG-CD2 3.58Å; E39-L603 HydrophobicContact CG-CG 3.89Å; E39-F610 HydrophobicContact CB-CB 4.16Å
40	F	92.1	Very high	86.5	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.009	19%	0.19	C	C	.	.	H	α-helix	trans	-57	-46	171.5	174.2	-97	0	0	0	111.9	L36 V37 K42 V43 R44 M488 H490 P584 F610 Y621	L36-F40 WeakPolarHBondContact O-CB 3.31Å; L36-F40 PolarHBondContact O-N 3.44Å; V37-F40 PolarHBondContact O-N 3.39Å; F40-K42 VanDerWaalsContact C-N 3.33Å; F40-K42 PolarHBondContact O-N 3.16Å; F40-V43 PolarHBondContact O-N 2.81Å; F40-R44 HydrophobicContact CD2-CB 4.47Å; F40-R44 HydrophobicContact CD2-CG 4.34Å; F40-R44 HydrophobicContact CE1-CB 4.46Å; F40-R44 HydrophobicContact CE2-CB 3.96Å; F40-R44 HydrophobicContact CE2-CG 3.86Å; F40-R44 HydrophobicContact CZ-CB 3.97Å; F40-R44 HydrophobicContact CZ-CG 4.34Å; F40-R44 PolarHBondContact O-N 3.2Å; F40-M488 HydrophobicContact CB-CE 3.95Å; F40-M488 HydrophobicContact CD1-CB 4.44Å; F40-M488 HydrophobicContact CD1-CE 4.13Å; F40-M488 HydrophobicContact CD1-CG 4.16Å; F40-M488 HydrophobicContact CD2-CE 4.37Å; F40-M488 HydrophobicContact CE1-CB 4.26Å; F40-M488 HydrophobicContact CE1-CG 4.44Å; F40-M488 HydrophobicContact CG-CE 3.87Å; F40-H490 HydrophobicContact CZ-CB 4.5Å; F40-P584 HydrophobicContact CD2-CG 4.23Å; F40-P584 HydrophobicContact CE2-CG 4.22Å; F40-F610 HydrophobicContact CB-CD2 3.93Å; F40-F610 HydrophobicContact CB-CE2 3.86Å; F40-F610 HydrophobicContact CB-CG 4.4Å; F40-F610 HydrophobicContact CB-CZ 4.28Å; F40-F610 HydrophobicContact CD2-CD1 4.35Å; F40-F610 AromaticContact CD2-CE1 3.87Å; F40-F610 HydrophobicContact CD2-CE1 3.87Å; F40-F610 HydrophobicContact CD2-CE2 4.25Å; F40-F610 AromaticContact CD2-CZ 3.8Å; F40-F610 HydrophobicContact CD2-CZ 3.8Å; F40-F610 HydrophobicContact CG-CZ 4.47Å; F40-Y621 HydrophobicContact CE2-CE1 4.05Å
41	L	89.6	Confident	87.2	Confident	24 Å²	24	39.6 Å²	39.6	13%	0.126	19%	0.189	C	C	.	.	H	α-helix	trans	-68.1	-28.7	179.2	-69.6	177.4	0	0	0	113.1	V37 P38 E39 G45 L46 L487 L716	V37-L41 HydrophobicContact CG1-CD1 4.35Å; V37-L41 WeakPolarHBondContact O-CG 3.36Å; V37-L41 PolarHBondContact O-N 3.01Å; P38-L41 PolarHBondContact O-N 2.9Å; E39-L41 VanDerWaalsContact C-N 3.33Å; E39-L41 PolarHBondContact O-N 2.83Å; L41-G45 WeakPolarHBondContact O-CA 3.33Å; L41-G45 PolarHBondContact O-N 3Å; L41-L46 HydrophobicContact CD2-CD2 3.74Å; L41-L46 HydrophobicContact CD2-CG 3.91Å; L41-L487 HydrophobicContact CD1-CD1 4.45Å; L41-L487 HydrophobicContact CD1-CD2 4.26Å; L41-L487 HydrophobicContact CD1-CG 4.29Å; L41-L487 HydrophobicContact CD2-CG 4.44Å; L41-L716 HydrophobicContact CD1-CB 3.99Å; L41-L716 HydrophobicContact CD1-CD1 4.21Å; L41-L716 HydrophobicContact CD1-CD2 4.46Å; L41-L716 HydrophobicContact CD1-CG 4.45Å
42	K	85.3	Confident	87.7	Confident	132 Å²	132	35.1 Å²	35.1	57%	0.574	17%	0.168	S	C	*	.	H	α-helix	trans	-67	-43.6	171.6	-74.4	173.3	-175	173.6	0	111.2	P38 E39 F40 K48	P38-K42 WeakPolarHBondContact O-CG 3.34Å; P38-K42 PolarHBondContact O-N 2.92Å; E39-K42 WeakPolarHBondContact O-CB 3.48Å; E39-K42 PolarHBondContact O-N 3.39Å; E39-K42 WeakPolarHBondContact OE1-CE 3.35Å; E39-K42 IonicContact OE1-NZ 3.42Å; E39-K42 PolarHBondContact OE1-NZ 3.33Å; E39-K42 IonicContact OE2-NZ 2.72Å; F40-K42 VanDerWaalsContact C-N 3.33Å; F40-K42 PolarHBondContact O-N 3.16Å; K42-K48 PolarHBondContact O-NZ 3.29Å
43	V	82.8	Confident	88.2	Confident	38 Å²	38	30.3 Å²	30.3	23%	0.23	15%	0.147	C	C	.	.	H	α-helix	trans	-77.7	-55.9	-176.2	178.2	0	0	0	0	112	E39 F40 K48 F610 N611	E39-V43 WeakPolarHBondContact O-CG2 3.21Å; E39-V43 PolarHBondContact O-N 3.29Å; E39-V43 VanDerWaalsContact O-N 3.1Å; F40-V43 PolarHBondContact O-N 2.81Å; V43-K48 WeakPolarHBondContact O-CD 3.45Å; V43-K48 WeakPolarHBondContact O-CE 3.25Å; V43-K48 PolarHBondContact O-NZ 3.12Å; V43-F610 HydrophobicContact CG2-CB 4.33Å; V43-N611 WeakPolarHBondContact CG1-OD1 3.39Å
44	R	81.7	Confident	88.5	Confident	40 Å²	40	29.5 Å²	29.5	15%	0.151	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-29.9	-174.7	-64.2	-63.5	-173.3	177.2	-2.4	113	F40 K48 E52 E559	F40-R44 HydrophobicContact CD2-CB 4.47Å; F40-R44 HydrophobicContact CD2-CG 4.34Å; F40-R44 HydrophobicContact CE1-CB 4.46Å; F40-R44 HydrophobicContact CE2-CB 3.96Å; F40-R44 HydrophobicContact CE2-CG 3.86Å; F40-R44 HydrophobicContact CZ-CB 3.97Å; F40-R44 HydrophobicContact CZ-CG 4.34Å; F40-R44 PolarHBondContact O-N 3.2Å; R44-K48 WeakPolarHBondContact O-CB 3.19Å; R44-K48 VanDerWaalsContact O-CD 3.27Å; R44-K48 WeakPolarHBondContact O-CD 3.37Å; R44-K48 WeakPolarHBondContact O-CG 3.47Å; R44-E52 IonicContact NH1-OE1 3.46Å; R44-E52 IonicContact NH1-OE2 2.81Å; R44-E52 PolarHBondContact NH1-OE2 3.44Å; R44-E559 IonicContact CZ-OE1 2.7Å; R44-E559 IonicContact NH2-OE1 3.38Å; R44-E559 PolarHBondContact NH2-OE1 3.43Å
45	G	75.5	Confident	88.7	Confident	17 Å²	17	26.8 Å²	26.8	18%	0.175	14%	0.135	C	C	.	.			trans	56.2	170.1	178.7	0	0	0	0	0	115.2	L41	L41-G45 WeakPolarHBondContact O-CA 3.33Å; L41-G45 PolarHBondContact O-N 3Å
46	L	81.5	Confident	88.7	Confident	25 Å²	25	28.9 Å²	28.9	13%	0.131	14%	0.141	C	C	.	.	S	Bend	trans	-81	-26.7	-179.8	-66.4	179.3	0	0	0	113.9	L41 Q49 T442 L487 V656 L717	L41-L46 HydrophobicContact CD2-CD2 3.74Å; L41-L46 HydrophobicContact CD2-CG 3.91Å; L46-Q49 PolarHBondContact O-NE2 3.09Å; L46-T442 HydrophobicContact CB-CG2 4.37Å; L46-L487 HydrophobicContact CD1-CD1 4.06Å; L46-L487 HydrophobicContact CD2-CD1 3.8Å; L46-L487 HydrophobicContact CD2-CG 4.33Å; L46-L487 WeakPolarHBondContact CD2-O 3.15Å; L46-L487 HydrophobicContact CG-CD1 4.43Å; L46-V656 HydrophobicContact CD1-CG2 3.37Å; L46-L717 HydrophobicContact CD1-CD1 4.21Å; L46-L717 HydrophobicContact CD1-CD2 3.36Å; L46-L717 HydrophobicContact CD1-CG 4.44Å; L46-L717 HydrophobicContact CG-CD2 4.31Å
47	V	86.9	Confident	88.7	Confident	9 Å²	9	29 Å²	29	6%	0.055	14%	0.141	C	C	.	.	S	Bend	trans	-109.9	-13.5	-172.8	-176	0	0	0	0	111.4	Q49 H50 P168 M441	V47-Q49 PolarHBondContact O-N 2.63Å; V47-Q49 VanDerWaalsContact O-N 3.14Å; V47-H50 PolarHBondContact O-N 3.22Å; V47-P168 HydrophobicContact CB-CB 4.37Å; V47-P168 HydrophobicContact CG1-CB 4.42Å; V47-P168 HydrophobicContact CG2-CB 3.77Å; V47-M441 HydrophobicContact CG1-CB 4.32Å; V47-M441 HydrophobicContact CG1-CE 3.72Å; V47-M441 HydrophobicContact CG1-CG 4.37Å; V47-M441 HydrophobicContact CG2-CB 3.78Å; V47-M441 HydrophobicContact CG2-CG 4.18Å
48	K	86.2	Confident	88.7	Confident	72 Å²	72	29.2 Å²	29.2	31%	0.313	14%	0.143	S	C	.	.	H	α-helix	trans	-65.5	-22.5	-176.4	-44.9	-173	-174.7	-176.9	0	112.8	K42 V43 R44 H50 I51 E52	K42-K48 PolarHBondContact O-NZ 3.29Å; V43-K48 WeakPolarHBondContact O-CD 3.45Å; V43-K48 WeakPolarHBondContact O-CE 3.25Å; V43-K48 PolarHBondContact O-NZ 3.12Å; R44-K48 WeakPolarHBondContact O-CB 3.19Å; R44-K48 VanDerWaalsContact O-CD 3.27Å; R44-K48 WeakPolarHBondContact O-CD 3.37Å; R44-K48 WeakPolarHBondContact O-CG 3.47Å; K48-H50 PolarHBondContact O-N 2.87Å; K48-H50 VanDerWaalsContact O-N 3.14Å; K48-I51 CarbonylContact O-C 3.58Å; K48-I51 WeakPolarHBondContact O-CA 3.48Å; K48-I51 WeakPolarHBondContact O-CB 2.99Å; K48-I51 PolarHBondContact O-N 2.71Å; K48-E52 HydrophobicContact CB-CG 4.34Å; K48-E52 WeakPolarHBondContact O-CB 3.27Å; K48-E52 WeakPolarHBondContact O-CG 3.31Å; K48-E52 PolarHBondContact O-N 3.07Å
49	Q	89.2	Confident	88.6	Confident	12 Å²	12	30.4 Å²	30.4	6%	0.056	15%	0.148	C	C	.	.	H	α-helix	trans	-49.5	-39.2	169.1	64.2	-163.1	-10.4	0	0	113.9	L46 V47 S53	L46-Q49 PolarHBondContact O-NE2 3.09Å; V47-Q49 PolarHBondContact O-N 2.63Å; V47-Q49 VanDerWaalsContact O-N 3.14Å; Q49-S53 WeakPolarHBondContact O-CB 3.24Å; Q49-S53 PolarHBondContact O-N 3.05Å; Q49-S53 VanDerWaalsContact O-N 3.16Å
50	H	91.3	Very high	88.4	Confident	1 Å²	1	32 Å²	32	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-71.1	-39.8	174.9	-74.2	-75.8	0	0	0	111.6	V47 K48 F54 M142 I181 I183 M441	V47-H50 PolarHBondContact O-N 3.22Å; K48-H50 PolarHBondContact O-N 2.87Å; K48-H50 VanDerWaalsContact O-N 3.14Å; H50-F54 WeakPolarHBondContact O-CB 3.35Å; H50-F54 PolarHBondContact O-N 3.14Å; H50-M142 HydrophobicContact CB-CE 4.11Å; H50-M142 HydrophobicContact CB-SD 4.08Å; H50-I181 PolarHBondContact CE1-O 3.41Å; H50-I183 VanDerWaalsContact CE1-CG1 3.49Å; H50-I183 WeakPolarHBondContact CE1-CG1 3.32Å; H50-M441 PolarHBondContact NE2-O 3.37Å
51	I	93.2	Very high	87.9	Confident	20 Å²	20	34.7 Å²	34.7	10%	0.103	17%	0.172	C	C	.	.	H	α-helix	trans	-70.2	-49.1	-177.4	-62.1	172.5	0	0	0	110.7	K48 F54 N55 M142 H144	K48-I51 CarbonylContact O-C 3.58Å; K48-I51 WeakPolarHBondContact O-CA 3.48Å; K48-I51 WeakPolarHBondContact O-CB 2.99Å; K48-I51 PolarHBondContact O-N 2.71Å; I51-F54 PolarHBondContact O-N 3.25Å; I51-N55 WeakPolarHBondContact O-CB 3.33Å; I51-N55 PolarHBondContact O-N 3.42Å; I51-N55 PolarHBondContact O-ND2 3.08Å; I51-M142 HydrophobicContact CG1-SD 4.09Å; I51-H144 HydrophobicContact CD1-CB 3.88Å
52	E	91	Very high	87.4	Confident	48 Å²	48	33.6 Å²	33.6	22%	0.224	17%	0.167	C	C	.	.	H	α-helix	trans	-61.1	-45.1	176.6	-71.2	-179.4	-170.7	0	0	110.7	R44 K48 F54 N55 Y56 H490	R44-E52 IonicContact NH1-OE1 3.46Å; R44-E52 IonicContact NH1-OE2 2.81Å; R44-E52 PolarHBondContact NH1-OE2 3.44Å; K48-E52 HydrophobicContact CB-CG 4.34Å; K48-E52 WeakPolarHBondContact O-CB 3.27Å; K48-E52 WeakPolarHBondContact O-CG 3.31Å; K48-E52 PolarHBondContact O-N 3.07Å; E52-F54 VanDerWaalsContact C-N 3.32Å; E52-F54 PolarHBondContact O-N 3.43Å; E52-N55 PolarHBondContact O-N 2.87Å; E52-Y56 WeakPolarHBondContact O-CB 3.3Å; E52-Y56 PolarHBondContact O-N 2.85Å; E52-H490 IonicContact OE2-NE2 3.7Å
53	S	92.2	Very high	86.7	Confident	9 Å²	9	30.9 Å²	30.9	6%	0.063	16%	0.158	C	C	.	.	H	α-helix	trans	-60.3	-41.4	173.9	177.6	0	0	0	0	112.4	Q49 F57 L357 G359	Q49-S53 WeakPolarHBondContact O-CB 3.24Å; Q49-S53 PolarHBondContact O-N 3.05Å; Q49-S53 VanDerWaalsContact O-N 3.16Å; S53-F57 PolarHBondContact O-N 3.34Å; S53-F57 VanDerWaalsContact O-N 3.09Å; S53-L357 VanDerWaalsContact OG-CB 3.3Å; S53-L357 WeakPolarHBondContact OG-CB 3Å; S53-G359 WeakPolarHBondContact OG-CA 3.42Å; S53-G359 PolarHBondContact OG-N 3.46Å; S53-G359 VanDerWaalsContact OG-N 3.15Å
54	F	94.1	Very high	85.6	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-71.2	-38.7	177.5	-177.5	-98.5	0	0	0	112.5	H50 I51 E52 F57 V58 L139 P140 I141 M142 F172 I362	H50-F54 WeakPolarHBondContact O-CB 3.35Å; H50-F54 PolarHBondContact O-N 3.14Å; I51-F54 PolarHBondContact O-N 3.25Å; E52-F54 VanDerWaalsContact C-N 3.32Å; E52-F54 PolarHBondContact O-N 3.43Å; F54-F57 HydrophobicContact CD2-CD1 4.2Å; F54-F57 HydrophobicContact CE2-CD1 4.15Å; F54-F57 HydrophobicContact CE2-CE1 4.42Å; F54-F57 WeakPolarHBondContact O-CB 3.29Å; F54-F57 PolarHBondContact O-N 3.24Å; F54-V58 HydrophobicContact CD1-CG2 4.07Å; F54-V58 HydrophobicContact CE1-CG2 3.62Å; F54-V58 HydrophobicContact CE2-CG2 4.21Å; F54-V58 HydrophobicContact CZ-CG2 3.69Å; F54-V58 WeakPolarHBondContact O-CG2 3.23Å; F54-V58 PolarHBondContact O-N 3Å; F54-L139 HydrophobicContact CZ-CD2 4.39Å; F54-P140 WeakPolarHBondContact CZ-O 3.45Å; F54-I141 HydrophobicContact CE1-CD1 4.42Å; F54-I141 HydrophobicContact CZ-CD1 4.2Å; F54-M142 HydrophobicContact CB-CB 4.46Å; F54-M142 HydrophobicContact CB-CE 3.81Å; F54-M142 HydrophobicContact CB-SD 3.94Å; F54-M142 HydrophobicContact CD1-CB 3.67Å; F54-M142 HydrophobicContact CD2-CB 4.33Å; F54-M142 HydrophobicContact CD2-CE 4.4Å; F54-M142 HydrophobicContact CE1-CB 3.91Å; F54-M142 HydrophobicContact CG-CB 3.88Å; F54-M142 HydrophobicContact CG-CE 4.19Å; F54-M142 HydrophobicContact CG-SD 4.37Å; F54-M142 HydrophobicContact CZ-CB 4.35Å; F54-F172 HydrophobicContact CD2-CE1 4.17Å; F54-F172 AromaticContact CD2-CZ 3.9Å; F54-F172 HydrophobicContact CD2-CZ 3.9Å; F54-F172 AromaticContact CE2-CE1 3.76Å; F54-F172 HydrophobicContact CE2-CE1 3.76Å; F54-F172 AromaticContact CE2-CZ 3.95Å; F54-F172 HydrophobicContact CE2-CZ 3.95Å; F54-F172 HydrophobicContact CZ-CE1 4.2Å; F54-I362 HydrophobicContact CD2-CD1 3.81Å; F54-I362 HydrophobicContact CE2-CD1 3.93Å
55	N	93.8	Very high	84.5	Confident	20 Å²	20	32.4 Å²	32.4	11%	0.107	18%	0.18	C	C	.	.	H	α-helix	trans	-62	-46.2	174.9	-73.6	-18.4	0	0	0	110.5	I51 E52 F57 V58 D59 S145 N146	I51-N55 WeakPolarHBondContact O-CB 3.33Å; I51-N55 PolarHBondContact O-N 3.42Å; I51-N55 PolarHBondContact O-ND2 3.08Å; E52-N55 PolarHBondContact O-N 2.87Å; N55-F57 VanDerWaalsContact C-N 3.32Å; N55-F57 PolarHBondContact O-N 3.35Å; N55-V58 PolarHBondContact O-N 3.31Å; N55-D59 WeakPolarHBondContact O-CB 3.02Å; N55-D59 PolarHBondContact O-N 3.06Å; N55-S145 WeakPolarHBondContact OD1-CA 3.29Å; N55-S145 WeakPolarHBondContact OD1-CB 3.48Å; N55-N146 VanDerWaalsContact CG-CG 3.44Å; N55-N146 VanDerWaalsContact ND2-CG 3.32Å; N55-N146 PolarHBondContact ND2-ND2 3.31Å; N55-N146 PolarHBondContact ND2-OD1 3.18Å; N55-N146 PolarHBondContact OD1-N 3.13Å
56	Y	91.3	Very high	83.8	Confident	74 Å²	74	41.7 Å²	41.7	29%	0.29	21%	0.209	S	C	.	.	H	α-helix	trans	-57.7	-44.3	174.9	-176.7	-98.6	0	0	0	111.7	E52 V58 V60 E61	E52-Y56 WeakPolarHBondContact O-CB 3.3Å; E52-Y56 PolarHBondContact O-N 2.85Å; Y56-V58 PolarHBondContact O-N 3.47Å; Y56-V60 HydrophobicContact CD2-CB 4.36Å; Y56-V60 HydrophobicContact CD2-CG2 3.92Å; Y56-V60 HydrophobicContact CE2-CB 4.14Å; Y56-V60 HydrophobicContact CE2-CG1 4.29Å; Y56-V60 HydrophobicContact CE2-CG2 3.86Å; Y56-V60 WeakPolarHBondContact O-CB 3.26Å; Y56-V60 PolarHBondContact O-N 2.83Å; Y56-E61 HydrophobicContact CD1-CG 4.19Å; Y56-E61 HydrophobicContact CE1-CG 3.95Å; Y56-E61 PolarHBondContact O-N 2.95Å
57	F	91.6	Very high	82.8	Confident	1 Å²	1	41.7 Å²	41.7	0%	0.004	21%	0.212	C	C	.	.	I	π-helix	trans	-57.9	-50.4	173.6	162	-107.9	0	0	0	112.1	S53 F54 N55 E61 V62 L139 I362 A363 F366	S53-F57 PolarHBondContact O-N 3.34Å; S53-F57 VanDerWaalsContact O-N 3.09Å; F54-F57 HydrophobicContact CD2-CD1 4.2Å; F54-F57 HydrophobicContact CE2-CD1 4.15Å; F54-F57 HydrophobicContact CE2-CE1 4.42Å; F54-F57 WeakPolarHBondContact O-CB 3.29Å; F54-F57 PolarHBondContact O-N 3.24Å; N55-F57 VanDerWaalsContact C-N 3.32Å; N55-F57 PolarHBondContact O-N 3.35Å; F57-E61 WeakPolarHBondContact CA-OE2 3.38Å; F57-E61 HydrophobicContact CD2-CB 3.97Å; F57-E61 WeakPolarHBondContact CD2-OE2 3.47Å; F57-E61 PolarHBondContact O-N 3.38Å; F57-E61 VanDerWaalsContact O-N 3.13Å; F57-V62 HydrophobicContact CD1-CG2 4.2Å; F57-V62 HydrophobicContact CD2-CG2 3.93Å; F57-V62 HydrophobicContact CE1-CG2 3.67Å; F57-V62 HydrophobicContact CE2-CG2 3.35Å; F57-V62 HydrophobicContact CG-CG2 4.32Å; F57-V62 HydrophobicContact CZ-CG2 3.21Å; F57-V62 WeakPolarHBondContact O-CG2 3.34Å; F57-V62 PolarHBondContact O-N 2.95Å; F57-L139 HydrophobicContact CE1-CD1 4.1Å; F57-L139 HydrophobicContact CE1-CD2 4.07Å; F57-I362 HydrophobicContact CD1-CG2 4.07Å; F57-I362 HydrophobicContact CE1-CB 4.34Å; F57-I362 HydrophobicContact CE1-CG2 3.45Å; F57-I362 VanDerWaalsContact CE1-CG2 3.45Å; F57-I362 HydrophobicContact CE2-CG2 4.26Å; F57-I362 HydrophobicContact CZ-CG2 3.56Å; F57-A363 HydrophobicContact CD2-CB 3.61Å; F57-A363 HydrophobicContact CE2-CB 3.98Å; F57-F366 HydrophobicContact CE2-CB 4.11Å; F57-F366 HydrophobicContact CE2-CD1 4.38Å; F57-F366 HydrophobicContact CE2-CG 4.38Å; F57-F366 HydrophobicContact CZ-CB 4.03Å; F57-F366 HydrophobicContact CZ-CG 4.2Å
58	V	91.8	Very high	81.7	Confident	6 Å²	6	47.3 Å²	47.3	4%	0.036	23%	0.233	C	C	.	.	I	π-helix	trans	-67.7	-41.6	-176.2	172.5	0	0	0	0	112.5	F54 N55 Y56 V86 L139 R147	F54-V58 HydrophobicContact CD1-CG2 4.07Å; F54-V58 HydrophobicContact CE1-CG2 3.62Å; F54-V58 HydrophobicContact CE2-CG2 4.21Å; F54-V58 HydrophobicContact CZ-CG2 3.69Å; F54-V58 WeakPolarHBondContact O-CG2 3.23Å; F54-V58 PolarHBondContact O-N 3Å; N55-V58 PolarHBondContact O-N 3.31Å; Y56-V58 PolarHBondContact O-N 3.47Å; V58-V86 HydrophobicContact CG1-CB 4.09Å; V58-V86 HydrophobicContact CG1-CG2 4.17Å; V58-L139 HydrophobicContact CG2-CD2 4.04Å; V58-R147 HydrophobicContact CG1-CG 3.94Å
59	D	89.4	Confident	80.8	Confident	53 Å²	53	45.4 Å²	45.4	28%	0.283	23%	0.226	S	C	.	.	I	π-helix	trans	-88.7	-23.6	-172	-66	-33.1	0	0	0	112.7	N55 I63 N146 R147	N55-D59 WeakPolarHBondContact O-CB 3.02Å; N55-D59 PolarHBondContact O-N 3.06Å; D59-I63 WeakPolarHBondContact O-CD1 3.44Å; D59-N146 PolarHBondContact OD2-ND2 3.06Å; D59-R147 IonicContact OD1-CZ 3.57Å; D59-R147 IonicContact OD1-NE 3.32Å; D59-R147 IonicContact OD1-NH2 3.58Å; D59-R147 PolarHBondContact OD1-NH2 3.04Å
60	V	85.4	Confident	79.5	Confident	70 Å²	70	49.4 Å²	49.4	42%	0.424	25%	0.247	S	C	.	.	I	π-helix	trans	-117.3	-59.8	-178.3	-174.3	0	0	0	0	112.1	Y56 V62 I63 A64	Y56-V60 HydrophobicContact CD2-CB 4.36Å; Y56-V60 HydrophobicContact CD2-CG2 3.92Å; Y56-V60 HydrophobicContact CE2-CB 4.14Å; Y56-V60 HydrophobicContact CE2-CG1 4.29Å; Y56-V60 HydrophobicContact CE2-CG2 3.86Å; Y56-V60 WeakPolarHBondContact O-CB 3.26Å; Y56-V60 PolarHBondContact O-N 2.83Å; V60-V62 PolarHBondContact O-N 3.03Å; V60-I63 PolarHBondContact O-N 3.03Å; V60-A64 PolarHBondContact O-N 3.05Å
61	E	82.3	Confident	78.3	Confident	58 Å²	58	49.8 Å²	49.8	27%	0.271	25%	0.25	S	C	.	.	I	π-helix	trans	-72.4	-32.9	-168.3	-61.1	-177.8	139	0	0	113.8	Y56 F57 I63 P65 A363	Y56-E61 HydrophobicContact CD1-CG 4.19Å; Y56-E61 HydrophobicContact CE1-CG 3.95Å; Y56-E61 PolarHBondContact O-N 2.95Å; F57-E61 WeakPolarHBondContact CA-OE2 3.38Å; F57-E61 HydrophobicContact CD2-CB 3.97Å; F57-E61 WeakPolarHBondContact CD2-OE2 3.47Å; F57-E61 PolarHBondContact O-N 3.38Å; F57-E61 VanDerWaalsContact O-N 3.13Å; E61-I63 VanDerWaalsContact C-N 3.27Å; E61-I63 PolarHBondContact O-N 3.04Å; E61-P65 WeakPolarHBondContact O-CD 3.35Å; E61-A363 WeakPolarHBondContact OE2-CB 3.24Å
62	V	78.9	Confident	77.3	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.006	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-28	176.7	171.8	0	0	0	0	112	F57 V60 P65 V84 V86 F366	F57-V62 HydrophobicContact CD1-CG2 4.2Å; F57-V62 HydrophobicContact CD2-CG2 3.93Å; F57-V62 HydrophobicContact CE1-CG2 3.67Å; F57-V62 HydrophobicContact CE2-CG2 3.35Å; F57-V62 HydrophobicContact CG-CG2 4.32Å; F57-V62 HydrophobicContact CZ-CG2 3.21Å; F57-V62 WeakPolarHBondContact O-CG2 3.34Å; F57-V62 PolarHBondContact O-N 2.95Å; V60-V62 PolarHBondContact O-N 3.03Å; V62-P65 VanDerWaalsContact O-CD 3.29Å; V62-P65 WeakPolarHBondContact O-CD 3.06Å; V62-V84 HydrophobicContact CG1-CG1 3.71Å; V62-V86 HydrophobicContact CG1-CG2 4.11Å; V62-F366 HydrophobicContact CG1-CE1 4.33Å; V62-F366 HydrophobicContact CG1-CZ 4.3Å; V62-F366 HydrophobicContact CG2-CE1 4.49Å
63	I	70.2	Confident	76.1	Confident	74 Å²	74	61.2 Å²	61.2	38%	0.379	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-26	-177.3	-49.9	-172.1	0	0	0	111.3	D59 V60 E61	D59-I63 WeakPolarHBondContact O-CD1 3.44Å; V60-I63 PolarHBondContact O-N 3.03Å; E61-I63 VanDerWaalsContact C-N 3.27Å; E61-I63 PolarHBondContact O-N 3.04Å
64	A	59.7	Low	75.1	Confident	70 Å²	70	63.3 Å²	63.3	58%	0.579	31%	0.312	S	S	*	.			trans	-58.5	-36.7	-176.5	0	0	0	0	0	117.1	V60 R66	V60-A64 PolarHBondContact O-N 3.05Å; A64-R66 PolarHBondContact O-N 2.95Å
65	P	59.1	Low	74.2	Confident	41 Å²	41	68.6 Å²	68.6	27%	0.266	35%	0.346	S	S	.	.			trans	-77.1	86.8	-170.1	28.6	-32.3	0	0	0	113.1	E61 V62 S67 F370	E61-P65 WeakPolarHBondContact O-CD 3.35Å; V62-P65 VanDerWaalsContact O-CD 3.29Å; V62-P65 WeakPolarHBondContact O-CD 3.06Å; P65-S67 PolarHBondContact O-N 3.41Å; P65-S67 VanDerWaalsContact O-N 3.15Å; P65-F370 HydrophobicContact CB-CD1 4.33Å; P65-F370 HydrophobicContact CB-CE1 4.03Å; P65-F370 HydrophobicContact CG-CE1 4.4Å
66	R	59.9	Low	73.4	Confident	211 Å²	211	70.6 Å²	70.6	80%	0.796	36%	0.362	S	S	*	.			trans	-81.5	79.8	165.5	-66.4	-179	178.5	169.7	2.2	110.3	A64	A64-R66 PolarHBondContact O-N 2.95Å
67	S	60.8	Low	73	Confident	26 Å²	26	67.7 Å²	67.7	18%	0.182	35%	0.351	C	S	.	.			trans	-82.9	127.7	175.1	67	0	0	0	0	111.5	P65 N69 Y81 N374	P65-S67 PolarHBondContact O-N 3.41Å; P65-S67 VanDerWaalsContact O-N 3.15Å; S67-N69 PolarHBondContact OG-ND2 3.23Å; S67-Y81 WeakPolarHBondContact OG-CD2 3.09Å; S67-Y81 WeakPolarHBondContact OG-CE2 3.44Å; S67-N374 PolarHBondContact OG-ND2 2.67Å
68	Y	65	Low	72.7	Confident	127 Å²	127	68.9 Å²	68.9	50%	0.498	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	108.6	168.7	-174	-103.2	0	0	0	108.7	L70 Y78 K80	Y68-L70 HydrophobicContact CD1-CD1 4.24Å; Y68-L70 HydrophobicContact CD1-CG 4.01Å; Y68-L70 HydrophobicContact CE1-CD1 3.85Å; Y68-L70 HydrophobicContact CE1-CD2 3.64Å; Y68-L70 HydrophobicContact CE1-CG 3.54Å; Y68-Y78 AromaticContact CE2-CD2 3.66Å; Y68-Y78 HydrophobicContact CE2-CD2 3.66Å; Y68-Y78 HydrophobicContact CE2-CE2 4.35Å; Y68-Y78 AromaticContact CE2-CG 3.91Å; Y68-Y78 HydrophobicContact CE2-CG 3.91Å; Y68-K80 HydrophobicContact CD2-CB 4.08Å; Y68-K80 HydrophobicContact CD2-CD 4.22Å; Y68-K80 HydrophobicContact CD2-CG 4.17Å
69	N	66.7	Low	72.3	Confident	32 Å²	32	68.8 Å²	68.8	17%	0.171	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	121.6	-177.5	-60.9	-64.2	0	0	0	109.9	S67 Y78 F79 V378	S67-N69 PolarHBondContact OG-ND2 3.23Å; N69-Y78 WeakPolarHBondContact O-CA 3.48Å; N69-F79 PolarHBondContact N-O 2.69Å; N69-F79 PolarHBondContact O-N 3.43Å; N69-V378 HydrophobicContact CB-CG2 4.12Å
70	L	62.9	Low	72.3	Confident	95 Å²	95	70 Å²	70	50%	0.497	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	137.3	174.4	-74.8	160.7	0	0	0	110.1	Y68	Y68-L70 HydrophobicContact CD1-CD1 4.24Å; Y68-L70 HydrophobicContact CD1-CG 4.01Å; Y68-L70 HydrophobicContact CE1-CD1 3.85Å; Y68-L70 HydrophobicContact CE1-CD2 3.64Å; Y68-L70 HydrophobicContact CE1-CG 3.54Å
71	C	65.8	Low	72.4	Confident	9 Å²	9	66.8 Å²	66.8	6%	0.061	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-75.6	139.7	169.7	-179.6	0	0	0	0	110	D74 F77 D382	C71-D74 WeakPolarHBondContact CB-O 3.31Å; C71-F77 HydrophobicContact CB-CB 4.03Å; C71-F77 HydrophobicContact CB-CD1 3.86Å; C71-F77 HydrophobicContact CB-CG 4.4Å; C71-F77 PolarHBondContact N-O 3.17Å; C71-D382 PolarHBondContact SG-OD1 3.25Å
72	K	70.9	Confident	72.7	Confident	183 Å²	183	67 Å²	67	80%	0.796	34%	0.34	S	S	*	.	S	Bend	trans	-78	-35	179.4	-71.8	-177.4	178.3	-178.9	0	112	D382	K72-D382 PolarHBondContact N-OD1 3.43Å
73	M	67	Low	73.1	Confident	125 Å²	125	70.3 Å²	70.3	62%	0.616	36%	0.358	S	S	*	.	S	Bend	trans	-83	-30.8	-173.8	-64.3	-57.6	-59.6	0	0	113.2	D382	M73-D382 HydrophobicContact CG-CB 4.28Å
74	D	71.4	Confident	73.9	Confident	53 Å²	53	67 Å²	67	28%	0.283	34%	0.341	S	S	.	.			trans	-131.2	100.4	178.6	-176.7	1.6	0	0	0	109.6	C71 S76 F77 L385	C71-D74 WeakPolarHBondContact CB-O 3.31Å; D74-S76 PolarHBondContact O-N 2.83Å; D74-S76 VanDerWaalsContact O-N 3.13Å; D74-S76 VanDerWaalsContact OD1-CB 3.3Å; D74-S76 WeakPolarHBondContact OD1-CB 3.45Å; D74-S76 PolarHBondContact OD1-N 2.84Å; D74-S76 PolarHBondContact OD1-OG 3.45Å; D74-S76 PolarHBondContact OD2-OG 3.44Å; D74-S76 VanDerWaalsContact OD2-OG 3.07Å; D74-F77 HydrophobicContact CB-CB 4.36Å; D74-F77 PolarHBondContact O-N 3.08Å; D74-L385 HydrophobicContact CB-CD1 4.39Å
75	P	74.6	Confident	75.3	Confident	111 Å²	111	66.9 Å²	66.9	72%	0.721	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-13.2	-179.6	26.2	-32.7	0	0	0	113	F77	P75-F77 VanDerWaalsContact C-N 3.32Å
76	S	76.5	Confident	76.9	Confident	63 Å²	63	65.4 Å²	65.4	44%	0.441	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-21.7	173.3	77.7	0	0	0	0	112.6	D74 T123	D74-S76 PolarHBondContact O-N 2.83Å; D74-S76 VanDerWaalsContact O-N 3.13Å; D74-S76 VanDerWaalsContact OD1-CB 3.3Å; D74-S76 WeakPolarHBondContact OD1-CB 3.45Å; D74-S76 PolarHBondContact OD1-N 2.84Å; D74-S76 PolarHBondContact OD1-OG 3.45Å; D74-S76 PolarHBondContact OD2-OG 3.44Å; D74-S76 VanDerWaalsContact OD2-OG 3.07Å; S76-T123 PolarHBondContact O-OG1 3.45Å
77	F	82.3	Confident	78.4	Confident	12 Å²	12	58.9 Å²	58.9	5%	0.053	29%	0.294	C	S	.	.			trans	-87.6	117.9	180	-174.3	-87.2	0	0	0	112.5	C71 D74 P75 F79 T123 A381 L385 F393 I395	C71-F77 HydrophobicContact CB-CB 4.03Å; C71-F77 HydrophobicContact CB-CD1 3.86Å; C71-F77 HydrophobicContact CB-CG 4.4Å; C71-F77 PolarHBondContact N-O 3.17Å; D74-F77 HydrophobicContact CB-CB 4.36Å; D74-F77 PolarHBondContact O-N 3.08Å; P75-F77 VanDerWaalsContact C-N 3.32Å; F77-F79 HydrophobicContact CE1-CB 4.42Å; F77-T123 VanDerWaalsContact CA-OG1 3.25Å; F77-T123 WeakPolarHBondContact CA-OG1 3.49Å; F77-T123 WeakPolarHBondContact CD2-O 3.24Å; F77-T123 WeakPolarHBondContact CE2-O 3.48Å; F77-A381 HydrophobicContact CE1-CB 4.2Å; F77-L385 HydrophobicContact CB-CD1 4.01Å; F77-L385 HydrophobicContact CD1-CD1 4.21Å; F77-L385 HydrophobicContact CD2-CD1 4.32Å; F77-L385 HydrophobicContact CG-CD1 3.9Å; F77-F393 AromaticContact CE2-CD1 3.98Å; F77-F393 HydrophobicContact CE2-CD1 3.98Å; F77-F393 HydrophobicContact CE2-CE1 4.24Å; F77-F393 HydrophobicContact CZ-CD1 4.2Å; F77-F393 AromaticContact CZ-CE1 3.97Å; F77-F393 HydrophobicContact CZ-CE1 3.97Å; F77-I395 HydrophobicContact CE1-CD1 3.95Å; F77-I395 HydrophobicContact CZ-CB 4.04Å; F77-I395 HydrophobicContact CZ-CD1 3.82Å; F77-I395 HydrophobicContact CZ-CG2 4.25Å
78	Y	85.7	Confident	79.8	Confident	27 Å²	27	61.5 Å²	61.5	11%	0.106	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	157	169.6	72.5	-93.5	0	0	0	112.6	Y68 N69 K80 E121 Y122 T123 R128	Y68-Y78 AromaticContact CE2-CD2 3.66Å; Y68-Y78 HydrophobicContact CE2-CD2 3.66Å; Y68-Y78 HydrophobicContact CE2-CE2 4.35Å; Y68-Y78 AromaticContact CE2-CG 3.91Å; Y68-Y78 HydrophobicContact CE2-CG 3.91Å; N69-Y78 WeakPolarHBondContact O-CA 3.48Å; Y78-K80 HydrophobicContact CD2-CB 4.23Å; Y78-K80 HydrophobicContact CE2-CB 4.37Å; Y78-E121 HydrophobicContact CE2-CG 4.04Å; Y78-E121 PolarHBondContact OH-OE1 2.98Å; Y78-Y122 VanDerWaalsContact O-CA 3.28Å; Y78-Y122 WeakPolarHBondContact O-CA 3.35Å; Y78-Y122 WeakPolarHBondContact O-CB 3.32Å; Y78-T123 HydrophobicContact CD1-CG2 3.58Å; Y78-T123 HydrophobicContact CE1-CG2 3.24Å; Y78-T123 PolarHBondContact N-OG1 3.33Å; Y78-T123 PolarHBondContact O-N 2.68Å; Y78-R128 WeakPolarHBondContact OH-CD 3.39Å
79	F	84.8	Confident	81.2	Confident	4 Å²	4	55.5 Å²	55.5	2%	0.018	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	120.3	174.9	175.8	-104.9	0	0	0	109.9	N69 F77 Y81 V120 L377 I395 I399	N69-F79 PolarHBondContact N-O 2.69Å; N69-F79 PolarHBondContact O-N 3.43Å; F77-F79 HydrophobicContact CE1-CB 4.42Å; F79-Y81 HydrophobicContact CD1-CE2 4.1Å; F79-Y81 HydrophobicContact CE1-CD2 4.18Å; F79-Y81 AromaticContact CE1-CE1 3.99Å; F79-Y81 HydrophobicContact CE1-CE1 3.99Å; F79-Y81 AromaticContact CE1-CE2 3.39Å; F79-Y81 HydrophobicContact CE1-CE2 3.39Å; F79-Y81 AromaticContact CE1-CZ 3.29Å; F79-Y81 VanDerWaalsContact CE1-OH 3.32Å; F79-Y81 WeakPolarHBondContact CE1-OH 3.21Å; F79-Y81 AromaticContact CZ-CE1 3.91Å; F79-Y81 HydrophobicContact CZ-CE1 3.91Å; F79-Y81 HydrophobicContact CZ-CE2 4.15Å; F79-Y81 AromaticContact CZ-CZ 3.68Å; F79-V120 HydrophobicContact CE2-CB 3.87Å; F79-V120 HydrophobicContact CE2-CG1 3.89Å; F79-V120 HydrophobicContact CE2-CG2 4.25Å; F79-V120 HydrophobicContact CZ-CB 4.33Å; F79-V120 HydrophobicContact CZ-CG1 3.83Å; F79-L377 HydrophobicContact CE1-CD1 4.1Å; F79-I395 HydrophobicContact CB-CD1 4.13Å; F79-I395 HydrophobicContact CD1-CD1 4.5Å; F79-I395 HydrophobicContact CD2-CD1 4.12Å; F79-I395 HydrophobicContact CD2-CG2 3.67Å; F79-I395 HydrophobicContact CE2-CG2 3.97Å; F79-I395 HydrophobicContact CG-CD1 4.02Å; F79-I399 HydrophobicContact CZ-CD1 4.38Å
80	K	87.8	Confident	82.4	Confident	77 Å²	77	54.9 Å²	54.9	34%	0.335	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	136.2	-171.6	-178.4	-175.3	174.6	-165.9	0	110.8	Y68 Y78 L82 V120 E121	Y68-K80 HydrophobicContact CD2-CB 4.08Å; Y68-K80 HydrophobicContact CD2-CD 4.22Å; Y68-K80 HydrophobicContact CD2-CG 4.17Å; Y78-K80 HydrophobicContact CD2-CB 4.23Å; Y78-K80 HydrophobicContact CE2-CB 4.37Å; K80-L82 HydrophobicContact CD-CD2 4.24Å; K80-V120 CarbonylContact O-C 3.48Å; K80-V120 WeakPolarHBondContact O-CA 3.18Å; K80-E121 HydrophobicContact CB-CB 4.4Å; K80-E121 PolarHBondContact N-O 3.27Å; K80-E121 IonicContact NZ-OE2 3.69Å; K80-E121 PolarHBondContact O-N 2.84Å
81	Y	88.3	Confident	83.5	Confident	4 Å²	4	51.2 Å²	51.2	2%	0.016	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	131	168.9	-62.5	-88.4	0	0	0	109.9	S67 F79 V118 V120 L136 F370 N374	S67-Y81 WeakPolarHBondContact OG-CD2 3.09Å; S67-Y81 WeakPolarHBondContact OG-CE2 3.44Å; F79-Y81 HydrophobicContact CD1-CE2 4.1Å; F79-Y81 HydrophobicContact CE1-CD2 4.18Å; F79-Y81 AromaticContact CE1-CE1 3.99Å; F79-Y81 HydrophobicContact CE1-CE1 3.99Å; F79-Y81 AromaticContact CE1-CE2 3.39Å; F79-Y81 HydrophobicContact CE1-CE2 3.39Å; F79-Y81 AromaticContact CE1-CZ 3.29Å; F79-Y81 VanDerWaalsContact CE1-OH 3.32Å; F79-Y81 WeakPolarHBondContact CE1-OH 3.21Å; F79-Y81 AromaticContact CZ-CE1 3.91Å; F79-Y81 HydrophobicContact CZ-CE1 3.91Å; F79-Y81 HydrophobicContact CZ-CE2 4.15Å; F79-Y81 AromaticContact CZ-CZ 3.68Å; Y81-V118 HydrophobicContact CD1-CB 4.12Å; Y81-V118 HydrophobicContact CD1-CG1 4.32Å; Y81-V118 HydrophobicContact CD1-CG2 4.3Å; Y81-V118 HydrophobicContact CE1-CB 4.4Å; Y81-V118 HydrophobicContact CE1-CG1 4.46Å; Y81-V118 HydrophobicContact CE1-CG2 4.16Å; Y81-V120 HydrophobicContact CD1-CG1 3.69Å; Y81-V120 HydrophobicContact CE1-CG1 3.93Å; Y81-L136 HydrophobicContact CE1-CD1 4.35Å; Y81-F370 HydrophobicContact CD1-CZ 4.37Å; Y81-F370 AromaticContact CD2-CZ 3.78Å; Y81-F370 HydrophobicContact CD2-CZ 3.78Å; Y81-F370 HydrophobicContact CE1-CE2 4.07Å; Y81-F370 HydrophobicContact CE1-CZ 4.14Å; Y81-F370 HydrophobicContact CE2-CE1 4.35Å; Y81-F370 HydrophobicContact CE2-CE2 4.08Å; Y81-F370 AromaticContact CE2-CZ 3.49Å; Y81-F370 HydrophobicContact CE2-CZ 3.49Å; Y81-F370 VanDerWaalsContact CE2-CZ 3.49Å; Y81-F370 HydrophobicContact CG-CZ 4.19Å; Y81-F370 AromaticContact CZ-CE2 3.76Å; Y81-F370 AromaticContact CZ-CZ 3.67Å; Y81-N374 WeakPolarHBondContact CE2-OD1 3.5Å; Y81-N374 PolarHBondContact OH-OD1 3.4Å
82	L	87.9	Confident	84.3	Confident	63 Å²	63	56.5 Å²	56.5	33%	0.33	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-52.4	179	-63.2	178	0	0	0	111.1	K80 D119 E121	K80-L82 HydrophobicContact CD-CD2 4.24Å; L82-D119 HydrophobicContact CB-CB 4.16Å; L82-D119 PolarHBondContact N-O 3.15Å; L82-E121 HydrophobicContact CD1-CB 4.27Å; L82-E121 HydrophobicContact CD2-CB 4.34Å; L82-E121 HydrophobicContact CG-CB 4.28Å
83	D	87.3	Confident	84.5	Confident	69 Å²	69	52.9 Å²	52.9	37%	0.369	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	154.2	-177.1	-169.7	27.4	0	0	0	111	R85 V118 D119	D83-R85 IonicContact OD2-NH1 3.25Å; D83-V118 WeakPolarHBondContact O-CA 3.46Å; D83-D119 HydrophobicContact CB-CB 4.45Å; D83-D119 PolarHBondContact O-N 2.92Å
84	V	88.3	Confident	84.8	Confident	6 Å²	6	50.3 Å²	50.3	4%	0.036	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	126.6	-179.9	-174.5	0	0	0	0	108.5	V62 I116 V118	V62-V84 HydrophobicContact CG1-CG1 3.71Å; V84-I116 HydrophobicContact CG1-CG2 3.8Å; V84-V118 HydrophobicContact CB-CG1 4.37Å; V84-V118 HydrophobicContact CG1-CG1 4.02Å; V84-V118 HydrophobicContact CG2-CG1 3.98Å
85	R	89.4	Confident	84.9	Confident	66 Å²	66	56.6 Å²	56.6	25%	0.249	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	147.2	177.3	62	-175	157.2	-82.2	-1.4	111.4	D83 L117 D119 N133	D83-R85 IonicContact OD2-NH1 3.25Å; R85-L117 HydrophobicContact CG-CB 3.8Å; R85-L117 PolarHBondContact N-O 3.2Å; R85-L117 PolarHBondContact O-N 3.22Å; R85-D119 IonicContact CZ-OD1 3.53Å; R85-D119 IonicContact CZ-OD2 3.87Å; R85-D119 VanDerWaalsContact NH1-CG 3.33Å; R85-D119 IonicContact NH1-OD1 2.71Å; R85-D119 PolarHBondContact NH1-OD1 3.21Å; R85-D119 IonicContact NH1-OD2 3.08Å; R85-D119 PolarHBondContact NH1-OD2 3.45Å; R85-D119 IonicContact NH2-OD1 3.68Å; R85-D119 PolarHBondContact NH2-OD1 3.35Å; R85-D119 IonicContact NH2-OD2 3.75Å; R85-D119 PolarHBondContact NH2-OD2 3.46Å; R85-N133 VanDerWaalsContact CZ-OD1 3.24Å; R85-N133 PolarHBondContact NE-OD1 3.36Å; R85-N133 VanDerWaalsContact NH2-N 3.18Å; R85-N133 PolarHBondContact NH2-OD1 3.02Å
86	V	91	Very high	85.1	Confident	10 Å²	10	57.9 Å²	57.9	6%	0.061	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	121.8	174.1	-177.2	0	0	0	0	108.1	V58 V62 A114 L139 I141	V58-V86 HydrophobicContact CG1-CB 4.09Å; V58-V86 HydrophobicContact CG1-CG2 4.17Å; V62-V86 HydrophobicContact CG1-CG2 4.11Å; V86-A114 HydrophobicContact CG1-CB 4.12Å; V86-L139 HydrophobicContact CG1-CD2 4.07Å; V86-L139 HydrophobicContact CG2-CD2 4.12Å; V86-I141 HydrophobicContact CG1-CD1 4.01Å
87	E	91.2	Very high	85.4	Confident	74 Å²	74	59.4 Å²	59.4	35%	0.346	32%	0.321	S	S	.	.			trans	-78.2	-173.8	177.4	-63.8	-164.7	144.1	0	0	112.2	N90 A114 P115 L117	E87-N90 PolarHBondContact OE2-ND2 2.93Å; E87-A114 WeakPolarHBondContact O-CB 3.48Å; E87-P115 HydrophobicContact CB-CG 3.92Å; E87-P115 HydrophobicContact CG-CG 4.16Å; E87-P115 PolarHBondContact N-O 3.08Å; E87-P115 WeakPolarHBondContact OE2-CG 3.43Å; E87-L117 VanDerWaalsContact CD-CD1 3.47Å; E87-L117 HydrophobicContact CG-CD1 3.72Å; E87-L117 HydrophobicContact CG-CG 4.12Å; E87-L117 WeakPolarHBondContact OE1-CD1 3.34Å
88	T	92	Very high	85.6	Confident	82 Å²	82	61.3 Å²	61.3	50%	0.503	34%	0.335	S	S	.	.			trans	-80.9	154	167.7	53.8	0	0	0	0	111.6	N90	T88-N90 PolarHBondContact O-N 3.45Å
89	P	93.4	Very high	85.8	Confident	0 Å²	0	65 Å²	65	0%	0	36%	0.362	C	S	.	.			trans	-54.4	123.2	176.5	-32.6	40.9	0	0	0	113.8	I100 Y112 S113 A114 I141 R147	P89-I100 HydrophobicContact CB-CG2 4.11Å; P89-I100 PolarHBondContact O-N 3.45Å; P89-Y112 HydrophobicContact CB-CD2 3.97Å; P89-Y112 HydrophobicContact CB-CE1 4.18Å; P89-Y112 HydrophobicContact CB-CE2 3.43Å; P89-Y112 VanDerWaalsContact CB-CE2 3.43Å; P89-Y112 HydrophobicContact CG-CD1 4.28Å; P89-Y112 HydrophobicContact CG-CD2 4.44Å; P89-Y112 HydrophobicContact CG-CE1 3.63Å; P89-Y112 HydrophobicContact CG-CE2 3.82Å; P89-Y112 WeakPolarHBondContact CG-OH 3.31Å; P89-S113 WeakPolarHBondContact CA-O 3.06Å; P89-A114 HydrophobicContact CG-CB 4.33Å; P89-I141 HydrophobicContact CG-CB 3.87Å; P89-I141 HydrophobicContact CG-CG1 3.74Å; P89-I141 HydrophobicContact CG-CG2 4.08Å; P89-R147 WeakPolarHBondContact CD-O 3.45Å
90	N	91.8	Very high	86.1	Confident	19 Å²	19	65 Å²	65	10%	0.102	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	168.1	178.9	62	21.5	0	0	0	110.9	E87 T88 C98 P115 R138	E87-N90 PolarHBondContact OE2-ND2 2.93Å; T88-N90 PolarHBondContact O-N 3.45Å; N90-C98 CarbonylContact C-O 3.54Å; N90-C98 WeakPolarHBondContact CA-O 3.38Å; N90-C98 WeakPolarHBondContact CB-O 3.45Å; N90-P115 VanDerWaalsContact OD1-CD 3.3Å; N90-P115 WeakPolarHBondContact OD1-CD 3.29Å; N90-R138 PolarHBondContact O-NH2 2.71Å; N90-R138 PolarHBondContact OD1-NH1 3Å; N90-R138 VanDerWaalsContact OD1-NH1 3.15Å; N90-R138 PolarHBondContact OD1-NH2 3.13Å
91	V	86.8	Confident	86.4	Confident	18 Å²	18	62.5 Å²	62.5	11%	0.109	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	137.8	172.1	172.1	0	0	0	0	108.3	T97 C98 I100 M110	V91-T97 WeakPolarHBondContact O-CA 3.29Å; V91-C98 PolarHBondContact N-O 2.97Å; V91-C98 PolarHBondContact O-N 2.67Å; V91-I100 HydrophobicContact CG2-CB 3.95Å; V91-I100 HydrophobicContact CG2-CD1 3.46Å; V91-I100 VanDerWaalsContact CG2-CD1 3.46Å; V91-I100 HydrophobicContact CG2-CG1 4.29Å; V91-I100 HydrophobicContact CG2-CG2 3.98Å; V91-M110 HydrophobicContact CB-CE 4.21Å; V91-M110 HydrophobicContact CG1-CE 3.73Å; V91-M110 HydrophobicContact CG2-CE 3.34Å
92	E	81.2	Confident	86.7	Confident	121 Å²	121	62.3 Å²	62.3	57%	0.565	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	109.4	168.7	-68.7	171.7	-168.3	0	0	107.5	T97	E92-T97 HydrophobicContact CG-CG2 3.99Å
93	D	74.9	Confident	87	Confident	106 Å²	106	59.9 Å²	59.9	57%	0.567	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111	96.1	173.6	-160.6	2.6	0	0	0	107.9	L95 M96	D93-L95 PolarHBondContact O-N 3.16Å; D93-M96 PolarHBondContact N-O 3.27Å; D93-M96 PolarHBondContact O-N 3.15Å
94	G	74.1	Confident	87.3	Confident	72 Å²	72	60.4 Å²	60.4	74%	0.742	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	-116.5	-167.1	0	0	0	0	0	112.1
95	L	72.8	Confident	87.5	Confident	185 Å²	185	60.1 Å²	60.1	97%	0.969	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-5	179.3	-68.4	168.3	0	0	0	113.2	D93	D93-L95 PolarHBondContact O-N 3.16Å
96	M	80.6	Confident	87.7	Confident	137 Å²	137	57.5 Å²	57.5	68%	0.675	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	139.5	-176.6	-67.9	-174.4	69.3	0	0	111.2	D93	D93-M96 PolarHBondContact N-O 3.27Å; D93-M96 PolarHBondContact O-N 3.15Å
97	T	81.9	Confident	87.7	Confident	96 Å²	96	58.5 Å²	58.5	59%	0.589	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	116	170.2	47	0	0	0	0	109.5	V91 E92	V91-T97 WeakPolarHBondContact O-CA 3.29Å; E92-T97 HydrophobicContact CG-CG2 3.99Å
98	C	85.9	Confident	87.7	Confident	51 Å²	51	57 Å²	57	35%	0.345	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	137.7	-179.6	-66.3	0	0	0	0	110.3	N90 V91	N90-C98 CarbonylContact C-O 3.54Å; N90-C98 WeakPolarHBondContact CA-O 3.38Å; N90-C98 WeakPolarHBondContact CB-O 3.45Å; V91-C98 PolarHBondContact N-O 2.97Å; V91-C98 PolarHBondContact O-N 2.67Å
99	P	90.2	Very high	87.6	Confident	104 Å²	104	54.6 Å²	54.6	68%	0.675	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.3	141.2	169.2	29.1	-33.6	0	0	0	109.3
100	I	91.9	Very high	87.4	Confident	4 Å²	4	55.2 Å²	55.2	2%	0.021	31%	0.311	C	S	.	.			trans	-117.5	142.2	-178.7	-171.2	157.9	0	0	0	111.5	P89 V91 E104 C105 M110 Y112	P89-I100 HydrophobicContact CB-CG2 4.11Å; P89-I100 PolarHBondContact O-N 3.45Å; V91-I100 HydrophobicContact CG2-CB 3.95Å; V91-I100 HydrophobicContact CG2-CD1 3.46Å; V91-I100 VanDerWaalsContact CG2-CD1 3.46Å; V91-I100 HydrophobicContact CG2-CG1 4.29Å; V91-I100 HydrophobicContact CG2-CG2 3.98Å; I100-E104 HydrophobicContact CD1-CB 4.24Å; I100-E104 HydrophobicContact CG1-CB 3.96Å; I100-C105 WeakPolarHBondContact CD1-SG 3.44Å; I100-M110 HydrophobicContact CD1-CE 4.15Å; I100-M110 HydrophobicContact CD1-SD 4.23Å; I100-Y112 HydrophobicContact CG2-CD2 4.16Å; I100-Y112 HydrophobicContact CG2-CE2 4.22Å; I100-Y112 WeakPolarHBondContact O-CE2 3.4Å
101	T	93.6	Very high	87.4	Confident	25 Å²	25	56 Å²	56	15%	0.153	32%	0.317	C	S	.	.			trans	-90.2	151.5	173.2	64.4	0	0	0	0	111.7	H103 E104 C105	T101-H103 PolarHBondContact O-N 2.74Å; T101-E104 PolarHBondContact O-N 2.89Å; T101-E104 VanDerWaalsContact OG1-CG 3.3Å; T101-E104 WeakPolarHBondContact OG1-CG 3.39Å; T101-E104 PolarHBondContact OG1-N 2.91Å; T101-E104 PolarHBondContact OG1-OE1 3.21Å; T101-C105 PolarHBondContact O-N 3.25Å
102	P	94.6	Very high	87.8	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-56.1	-37.7	173	-29.8	39.4	0	0	0	113.1	C105 R106 Y112 L143 L150 I173	P102-C105 PolarHBondContact O-N 3.07Å; P102-R106 VanDerWaalsContact C-NH1 3.35Å; P102-R106 WeakPolarHBondContact O-CG 3.46Å; P102-R106 PolarHBondContact O-N 3.49Å; P102-R106 VanDerWaalsContact O-N 3.13Å; P102-R106 PolarHBondContact O-NH1 3.25Å; P102-Y112 HydrophobicContact CG-CD2 4.38Å; P102-Y112 HydrophobicContact CG-CE1 4.36Å; P102-Y112 HydrophobicContact CG-CE2 3.91Å; P102-L143 HydrophobicContact CB-CD1 4.38Å; P102-L143 HydrophobicContact CB-CD2 3.66Å; P102-L143 HydrophobicContact CG-CD2 3.4Å; P102-L150 HydrophobicContact CG-CD1 3.93Å; P102-L150 HydrophobicContact CG-CD2 4.38Å; P102-L150 HydrophobicContact CG-CG 4.06Å; P102-I173 HydrophobicContact CB-CD1 3.67Å
103	H	94.3	Very high	88.3	Confident	13 Å²	13	50 Å²	50	6%	0.06	29%	0.289	C	S	.	.	H	α-helix	trans	-57.9	-48.2	176.4	-170.3	67.1	0	0	0	112.1	T101 C105 R106 L107 E163 C692	T101-H103 PolarHBondContact O-N 2.74Å; H103-C105 PolarHBondContact O-N 2.87Å; H103-R106 PolarHBondContact O-N 3.45Å; H103-L107 WeakPolarHBondContact O-CG 3.32Å; H103-L107 PolarHBondContact O-N 2.89Å; H103-L107 VanDerWaalsContact O-N 3.1Å; H103-E163 WeakPolarHBondContact CA-OE1 3.42Å; H103-E163 WeakPolarHBondContact CB-OE1 3.46Å; H103-E163 PolarHBondContact N-OE1 3.36Å; H103-C692 PolarHBondContact CE1-O 3.2Å
104	E	92.5	Very high	89.2	Confident	79 Å²	79	44.9 Å²	44.9	37%	0.369	26%	0.262	S	S	.	.	H	α-helix	trans	-60.6	-42.6	176.1	-75.7	160.6	-136.4	0	0	112.1	I100 T101 R106 L107 R108	I100-E104 HydrophobicContact CD1-CB 4.24Å; I100-E104 HydrophobicContact CG1-CB 3.96Å; T101-E104 PolarHBondContact O-N 2.89Å; T101-E104 VanDerWaalsContact OG1-CG 3.3Å; T101-E104 WeakPolarHBondContact OG1-CG 3.39Å; T101-E104 PolarHBondContact OG1-N 2.91Å; T101-E104 PolarHBondContact OG1-OE1 3.21Å; E104-R106 VanDerWaalsContact C-N 3.29Å; E104-R106 PolarHBondContact O-N 3.46Å; E104-L107 PolarHBondContact O-N 3.14Å; E104-R108 WeakPolarHBondContact O-CB 3.41Å; E104-R108 WeakPolarHBondContact O-CG 3.42Å; E104-R108 PolarHBondContact O-N 3.26Å
105	C	93.2	Very high	90.1	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.4	-39.3	176.9	-70.2	0	0	0	0	112.8	I100 T101 P102 H103 D109 M110 I173	I100-C105 WeakPolarHBondContact CD1-SG 3.44Å; T101-C105 PolarHBondContact O-N 3.25Å; P102-C105 PolarHBondContact O-N 3.07Å; H103-C105 PolarHBondContact O-N 2.87Å; C105-D109 PolarHBondContact O-N 3.38Å; C105-M110 HydrophobicContact CB-CB 4.46Å; C105-M110 PolarHBondContact O-N 3.23Å; C105-I173 HydrophobicContact CB-CG2 3.98Å
106	R	93.3	Very high	91	Very high	12 Å²	12	33.2 Å²	33.2	5%	0.045	18%	0.184	C	C	.	.	H	α-helix	trans	-66.3	-42.8	176.3	-63.2	-175.3	-158.7	99.2	-18.1	111.7	P102 H103 E104 E163 Y171 I173 E178 R693 K874	P102-R106 VanDerWaalsContact C-NH1 3.35Å; P102-R106 WeakPolarHBondContact O-CG 3.46Å; P102-R106 PolarHBondContact O-N 3.49Å; P102-R106 VanDerWaalsContact O-N 3.13Å; P102-R106 PolarHBondContact O-NH1 3.25Å; H103-R106 PolarHBondContact O-N 3.45Å; E104-R106 VanDerWaalsContact C-N 3.29Å; E104-R106 PolarHBondContact O-N 3.46Å; R106-E163 IonicContact CZ-OE1 3.46Å; R106-E163 IonicContact CZ-OE2 3.94Å; R106-E163 IonicContact NH1-OE1 2.93Å; R106-E163 PolarHBondContact NH1-OE1 3.12Å; R106-E163 IonicContact NH1-OE2 3.82Å; R106-E163 PolarHBondContact NH1-OE2 3.34Å; R106-E163 IonicContact NH2-OE1 3.81Å; R106-E163 IonicContact NH2-OE2 2.7Å; R106-E163 PolarHBondContact NH2-OE2 2.65Å; R106-Y171 PolarHBondContact NH2-OH 3.46Å; R106-I173 HydrophobicContact CG-CD1 3.87Å; R106-I173 HydrophobicContact CG-CG1 4.35Å; R106-I173 HydrophobicContact CG-CG2 4.24Å; R106-E178 VanDerWaalsContact CD-OE1 3.3Å; R106-E178 WeakPolarHBondContact CD-OE1 3.34Å; R106-E178 IonicContact CZ-OE1 3.36Å; R106-E178 IonicContact NE-OE1 3.61Å; R106-E178 PolarHBondContact NE-OE1 3.01Å; R106-E178 IonicContact NH2-OE1 2.66Å; R106-R693 VanDerWaalsContact CZ-NH1 3.34Å; R106-K874 PolarHBondContact O-NZ 3.3Å
107	L	92.6	Very high	91.5	Very high	30 Å²	30	27.3 Å²	27.3	16%	0.157	16%	0.155	C	C	.	.	H	α-helix	trans	-69	-41.6	-179.6	-67.5	-173.4	0	0	0	112.3	H103 E104 D109 V694 L862 K874	H103-L107 WeakPolarHBondContact O-CG 3.32Å; H103-L107 PolarHBondContact O-N 2.89Å; H103-L107 VanDerWaalsContact O-N 3.1Å; E104-L107 PolarHBondContact O-N 3.14Å; L107-D109 PolarHBondContact O-N 2.87Å; L107-V694 HydrophobicContact CD2-CB 4.04Å; L107-V694 HydrophobicContact CD2-CG2 3.85Å; L107-L862 HydrophobicContact CB-CD2 3.89Å; L107-L862 HydrophobicContact CD2-CD2 4.09Å; L107-L862 HydrophobicContact CG-CD2 4.38Å; L107-K874 VanDerWaalsContact O-CE 3.24Å; L107-K874 WeakPolarHBondContact O-CE 3.22Å; L107-K874 PolarHBondContact O-NZ 2.89Å
108	R	90.9	Very high	91.9	Very high	43 Å²	43	22.7 Å²	22.7	16%	0.162	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	6.1	-176.8	-60.2	-176.9	65.2	-175.1	-0.2	115.2	E104 M110 T864 S865 N866	E104-R108 WeakPolarHBondContact O-CB 3.41Å; E104-R108 WeakPolarHBondContact O-CG 3.42Å; E104-R108 PolarHBondContact O-N 3.26Å; R108-M110 HydrophobicContact CB-CB 4.46Å; R108-M110 HydrophobicContact CB-CG 3.72Å; R108-M110 HydrophobicContact CB-SD 3.83Å; R108-M110 PolarHBondContact O-N 3Å; R108-M110 VanDerWaalsContact O-N 3.14Å; R108-T864 WeakPolarHBondContact CG-OG1 3.22Å; R108-S865 PolarHBondContact NE-O 3.44Å; R108-S865 PolarHBondContact NH2-O 2.59Å; R108-S865 VanDerWaalsContact NH2-O 3.09Å; R108-N866 PolarHBondContact O-OD1 2.95Å
109	D	89.8	Confident	92.2	Very high	32 Å²	32	21.4 Å²	21.4	17%	0.171	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	34.5	-172.8	-76.1	-3.1	0	0	0	113.3	C105 L107 R175 L872 K874	C105-D109 PolarHBondContact O-N 3.38Å; L107-D109 PolarHBondContact O-N 2.87Å; D109-R175 CarbonylContact O-C 3.48Å; D109-R175 VanDerWaalsContact O-CA 3.29Å; D109-R175 WeakPolarHBondContact O-CA 3.24Å; D109-L872 HydrophobicContact CB-CD2 3.99Å; D109-K874 VanDerWaalsContact OD1-CE 3.29Å; D109-K874 WeakPolarHBondContact OD1-CE 3.46Å; D109-K874 IonicContact OD1-NZ 3.09Å; D109-K874 PolarHBondContact OD1-NZ 3.3Å
110	M	89.7	Confident	92.1	Very high	13 Å²	13	16.4 Å²	16.4	6%	0.064	8%	0.084	C	C	.	.			trans	-96.6	162.5	180	-66.2	-178.3	59.8	0	0	111.8	V91 I100 C105 R108 R175 G176 V867	V91-M110 HydrophobicContact CB-CE 4.21Å; V91-M110 HydrophobicContact CG1-CE 3.73Å; V91-M110 HydrophobicContact CG2-CE 3.34Å; I100-M110 HydrophobicContact CD1-CE 4.15Å; I100-M110 HydrophobicContact CD1-SD 4.23Å; C105-M110 HydrophobicContact CB-CB 4.46Å; C105-M110 PolarHBondContact O-N 3.23Å; R108-M110 HydrophobicContact CB-CB 4.46Å; R108-M110 HydrophobicContact CB-CG 3.72Å; R108-M110 HydrophobicContact CB-SD 3.83Å; R108-M110 PolarHBondContact O-N 3Å; R108-M110 VanDerWaalsContact O-N 3.14Å; M110-R175 PolarHBondContact O-N 3.41Å; M110-G176 PolarHBondContact O-N 2.63Å; M110-V867 HydrophobicContact CE-CG2 3.38Å; M110-V867 HydrophobicContact CG-CG2 4.14Å; M110-V867 HydrophobicContact SD-CG2 4.06Å
111	T	91.3	Very high	92	Very high	34 Å²	34	17.3 Å²	17.3	21%	0.209	9%	0.088	C	C	.	.			trans	-94.1	125.2	172.5	-61.9	0	0	0	0	109.6	S113 P140 I173 R175	T111-S113 PolarHBondContact O-N 3.44Å; T111-S113 VanDerWaalsContact O-N 3.09Å; T111-S113 PolarHBondContact O-OG 3.22Å; T111-P140 HydrophobicContact CG2-CG 4.46Å; T111-I173 WeakPolarHBondContact CA-O 3.47Å; T111-R175 PolarHBondContact OG1-N 2.63Å
112	Y	93.9	Very high	91.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.081	C	C	.	.			trans	-73.5	101.4	175.3	-172.5	-111.7	0	0	0	109.1	P89 I100 P102 P140 I141 L143 C148 V149 I173	P89-Y112 HydrophobicContact CB-CD2 3.97Å; P89-Y112 HydrophobicContact CB-CE1 4.18Å; P89-Y112 HydrophobicContact CB-CE2 3.43Å; P89-Y112 VanDerWaalsContact CB-CE2 3.43Å; P89-Y112 HydrophobicContact CG-CD1 4.28Å; P89-Y112 HydrophobicContact CG-CD2 4.44Å; P89-Y112 HydrophobicContact CG-CE1 3.63Å; P89-Y112 HydrophobicContact CG-CE2 3.82Å; P89-Y112 WeakPolarHBondContact CG-OH 3.31Å; I100-Y112 HydrophobicContact CG2-CD2 4.16Å; I100-Y112 HydrophobicContact CG2-CE2 4.22Å; I100-Y112 WeakPolarHBondContact O-CE2 3.4Å; P102-Y112 HydrophobicContact CG-CD2 4.38Å; P102-Y112 HydrophobicContact CG-CE1 4.36Å; P102-Y112 HydrophobicContact CG-CE2 3.91Å; Y112-P140 WeakPolarHBondContact O-CA 3.44Å; Y112-I141 HydrophobicContact CD1-CB 4.06Å; Y112-I141 HydrophobicContact CD1-CG2 4.48Å; Y112-I141 WeakPolarHBondContact CD1-O 3.48Å; Y112-I141 HydrophobicContact CE1-CB 3.99Å; Y112-I141 HydrophobicContact CE1-CG2 3.96Å; Y112-I141 PolarHBondContact O-N 3.01Å; Y112-L143 HydrophobicContact CD1-CD2 3.85Å; Y112-L143 HydrophobicContact CE1-CD2 3.76Å; Y112-C148 PolarHBondContact OH-SG 3.25Å; Y112-C148 VanDerWaalsContact OH-SG 3.35Å; Y112-V149 PolarHBondContact OH-N 3.08Å; Y112-I173 PolarHBondContact N-O 3.12Å
113	S	93.2	Very high	91.4	Very high	13 Å²	13	16.7 Å²	16.7	9%	0.091	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	152.2	-170.8	59	0	0	0	0	111.7	P89 T111 R138 L139	P89-S113 WeakPolarHBondContact CA-O 3.06Å; T111-S113 PolarHBondContact O-N 3.44Å; T111-S113 VanDerWaalsContact O-N 3.09Å; T111-S113 PolarHBondContact O-OG 3.22Å; S113-R138 PolarHBondContact O-NH2 3.39Å; S113-R138 PolarHBondContact OG-NE 2.86Å; S113-L139 CarbonylContact C-O 3.5Å; S113-L139 WeakPolarHBondContact CA-O 3.32Å; S113-L139 WeakPolarHBondContact CB-O 3.43Å
114	A	93.1	Very high	90.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	149.8	174.2	0	0	0	0	0	111.1	V86 E87 P89 R138 L139 I141	V86-A114 HydrophobicContact CG1-CB 4.12Å; E87-A114 WeakPolarHBondContact O-CB 3.48Å; P89-A114 HydrophobicContact CG-CB 4.33Å; A114-R138 CarbonylContact O-C 3.58Å; A114-R138 VanDerWaalsContact O-CA 3.26Å; A114-R138 WeakPolarHBondContact O-CA 3.16Å; A114-L139 PolarHBondContact N-O 2.85Å; A114-L139 PolarHBondContact O-N 2.76Å; A114-I141 HydrophobicContact CB-CD1 3.96Å; A114-I141 HydrophobicContact CB-CG1 3.63Å
115	P	92.6	Very high	90	Very high	10 Å²	10	18.7 Å²	18.7	7%	0.065	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	139.5	175.6	30.7	-34	0	0	0	110.9	E87 N90 L117 G137	E87-P115 HydrophobicContact CB-CG 3.92Å; E87-P115 HydrophobicContact CG-CG 4.16Å; E87-P115 PolarHBondContact N-O 3.08Å; E87-P115 WeakPolarHBondContact OE2-CG 3.43Å; N90-P115 VanDerWaalsContact OD1-CD 3.3Å; N90-P115 WeakPolarHBondContact OD1-CD 3.29Å; P115-L117 HydrophobicContact CB-CD2 4.39Å; P115-G137 WeakPolarHBondContact CA-O 3.18Å
116	I	91.9	Very high	89.2	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	115.8	169.4	-52.1	174.6	0	0	0	106.7	V84 P135 L136 G137 L139 F366 I404	V84-I116 HydrophobicContact CG1-CG2 3.8Å; I116-P135 WeakPolarHBondContact O-CA 3.33Å; I116-L136 HydrophobicContact CB-CB 4.42Å; I116-L136 HydrophobicContact CG2-CB 4.39Å; I116-L136 HydrophobicContact CG2-CD2 4.46Å; I116-L136 PolarHBondContact O-N 3.29Å; I116-G137 PolarHBondContact N-O 2.94Å; I116-L139 HydrophobicContact CD1-CB 3.96Å; I116-L139 HydrophobicContact CG1-CB 3.87Å; I116-F366 HydrophobicContact CD1-CE2 3.86Å; I116-I404 HydrophobicContact CD1-CG2 4.16Å
117	L	91.7	Very high	88.7	Confident	13 Å²	13	31.2 Å²	31.2	7%	0.068	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	137.1	177.3	-55.7	-177.3	0	0	0	109.8	R85 E87 P115 N133 L134 P135	R85-L117 HydrophobicContact CG-CB 3.8Å; R85-L117 PolarHBondContact N-O 3.2Å; R85-L117 PolarHBondContact O-N 3.22Å; E87-L117 VanDerWaalsContact CD-CD1 3.47Å; E87-L117 HydrophobicContact CG-CD1 3.72Å; E87-L117 HydrophobicContact CG-CG 4.12Å; E87-L117 WeakPolarHBondContact OE1-CD1 3.34Å; P115-L117 HydrophobicContact CB-CD2 4.39Å; L117-N133 HydrophobicContact CD1-CB 4.3Å; L117-N133 WeakPolarHBondContact CD1-OD1 3.35Å; L117-L134 CarbonylContact C-O 3.58Å; L117-L134 WeakPolarHBondContact CA-O 3.4Å; L117-P135 HydrophobicContact CD2-CB 4.1Å
118	V	90.5	Very high	88.4	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	145	178.3	-62.9	0	0	0	0	111	Y81 D83 V84 V120 L134 L136	Y81-V118 HydrophobicContact CD1-CB 4.12Å; Y81-V118 HydrophobicContact CD1-CG1 4.32Å; Y81-V118 HydrophobicContact CD1-CG2 4.3Å; Y81-V118 HydrophobicContact CE1-CB 4.4Å; Y81-V118 HydrophobicContact CE1-CG1 4.46Å; Y81-V118 HydrophobicContact CE1-CG2 4.16Å; D83-V118 WeakPolarHBondContact O-CA 3.46Å; V84-V118 HydrophobicContact CB-CG1 4.37Å; V84-V118 HydrophobicContact CG1-CG1 4.02Å; V84-V118 HydrophobicContact CG2-CG1 3.98Å; V118-V120 HydrophobicContact CB-CG1 4.43Å; V118-V120 HydrophobicContact CG2-CG1 3.91Å; V118-L134 HydrophobicContact CG2-CB 4.08Å; V118-L134 WeakPolarHBondContact CG2-O 3.43Å; V118-L134 PolarHBondContact N-O 3.36Å; V118-L134 WeakPolarHBondContact O-CB 3.46Å; V118-L134 PolarHBondContact O-N 2.85Å; V118-L136 HydrophobicContact CG1-CB 4.1Å; V118-L136 HydrophobicContact CG1-CD2 4.05Å; V118-L136 HydrophobicContact CG1-CG 4.48Å; V118-L136 HydrophobicContact CG2-CB 4.27Å; V118-L136 HydrophobicContact CG2-CD1 4.29Å
119	D	91.2	Very high	88.3	Confident	23 Å²	23	38 Å²	38	12%	0.123	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	125.4	169.1	-63.2	-24.8	0	0	0	108.5	L82 D83 R85 R131 T132 N133	L82-D119 HydrophobicContact CB-CB 4.16Å; L82-D119 PolarHBondContact N-O 3.15Å; D83-D119 HydrophobicContact CB-CB 4.45Å; D83-D119 PolarHBondContact O-N 2.92Å; R85-D119 IonicContact CZ-OD1 3.53Å; R85-D119 IonicContact CZ-OD2 3.87Å; R85-D119 VanDerWaalsContact NH1-CG 3.33Å; R85-D119 IonicContact NH1-OD1 2.71Å; R85-D119 PolarHBondContact NH1-OD1 3.21Å; R85-D119 IonicContact NH1-OD2 3.08Å; R85-D119 PolarHBondContact NH1-OD2 3.45Å; R85-D119 IonicContact NH2-OD1 3.68Å; R85-D119 PolarHBondContact NH2-OD1 3.35Å; R85-D119 IonicContact NH2-OD2 3.75Å; R85-D119 PolarHBondContact NH2-OD2 3.46Å; D119-R131 WeakPolarHBondContact CA-O 3.37Å; D119-T132 WeakPolarHBondContact OD1-CA 3.26Å; D119-T132 WeakPolarHBondContact OD1-CB 3.39Å; D119-N133 PolarHBondContact OD1-N 2.97Å
120	V	89.4	Confident	88.3	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	143.3	-172.9	-62.4	0	0	0	0	111.8	F79 K80 Y81 V118 Y122 Q130 R131 L134	F79-V120 HydrophobicContact CE2-CB 3.87Å; F79-V120 HydrophobicContact CE2-CG1 3.89Å; F79-V120 HydrophobicContact CE2-CG2 4.25Å; F79-V120 HydrophobicContact CZ-CB 4.33Å; F79-V120 HydrophobicContact CZ-CG1 3.83Å; K80-V120 CarbonylContact O-C 3.48Å; K80-V120 WeakPolarHBondContact O-CA 3.18Å; Y81-V120 HydrophobicContact CD1-CG1 3.69Å; Y81-V120 HydrophobicContact CE1-CG1 3.93Å; V118-V120 HydrophobicContact CB-CG1 4.43Å; V118-V120 HydrophobicContact CG2-CG1 3.91Å; V120-Y122 HydrophobicContact CG2-CD1 4.42Å; V120-Q130 WeakPolarHBondContact O-CA 3.46Å; V120-R131 HydrophobicContact CG2-CB 3.93Å; V120-R131 PolarHBondContact N-O 3.33Å; V120-R131 PolarHBondContact O-N 2.93Å; V120-L134 HydrophobicContact CG2-CD2 4.23Å
121	E	89.7	Confident	88.3	Confident	22 Å²	22	47.7 Å²	47.7	10%	0.103	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	125.1	172.6	-177.7	-178.4	-164.2	0	0	108.6	Y78 K80 L82 Q130	Y78-E121 HydrophobicContact CE2-CG 4.04Å; Y78-E121 PolarHBondContact OH-OE1 2.98Å; K80-E121 HydrophobicContact CB-CB 4.4Å; K80-E121 PolarHBondContact N-O 3.27Å; K80-E121 IonicContact NZ-OE2 3.69Å; K80-E121 PolarHBondContact O-N 2.84Å; L82-E121 HydrophobicContact CD1-CB 4.27Å; L82-E121 HydrophobicContact CD2-CB 4.34Å; L82-E121 HydrophobicContact CG-CB 4.28Å; E121-Q130 HydrophobicContact CB-CG 4.21Å; E121-Q130 HydrophobicContact CG-CG 4.06Å
122	Y	87.9	Confident	88.3	Confident	1 Å²	1	50.9 Å²	50.9	0%	0.004	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	159.1	178.5	68.5	-77.1	0	0	0	112.2	Y78 V120 R124 V129 R131 D394 I395 V396	Y78-Y122 VanDerWaalsContact O-CA 3.28Å; Y78-Y122 WeakPolarHBondContact O-CA 3.35Å; Y78-Y122 WeakPolarHBondContact O-CB 3.32Å; V120-Y122 HydrophobicContact CG2-CD1 4.42Å; Y122-R124 HydrophobicContact CE2-CB 4.39Å; Y122-V129 HydrophobicContact CD1-CB 4.4Å; Y122-V129 HydrophobicContact CE1-CB 4Å; Y122-V129 HydrophobicContact CE1-CG1 3.84Å; Y122-V129 HydrophobicContact CE2-CB 4.37Å; Y122-V129 PolarHBondContact N-O 3.28Å; Y122-V129 PolarHBondContact O-N 3.13Å; Y122-R131 HydrophobicContact CE1-CG 3.92Å; Y122-D394 WeakPolarHBondContact CE2-OD1 3.41Å; Y122-D394 VanDerWaalsContact CZ-OD1 3.26Å; Y122-D394 PolarHBondContact OH-OD1 2.86Å; Y122-I395 HydrophobicContact CD1-CG2 4.41Å; Y122-I395 HydrophobicContact CD2-CG2 3.78Å; Y122-I395 HydrophobicContact CE2-CG2 4.17Å; Y122-I395 HydrophobicContact CG-CG2 3.9Å; Y122-V396 HydrophobicContact CD1-CG2 4.37Å; Y122-V396 HydrophobicContact CE1-CG2 3.57Å
123	T	85.9	Confident	88	Confident	12 Å²	12	55 Å²	55	7%	0.074	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	128.4	178.3	42.4	0	0	0	0	111.3	S76 F77 Y78 E127	S76-T123 PolarHBondContact O-OG1 3.45Å; F77-T123 VanDerWaalsContact CA-OG1 3.25Å; F77-T123 WeakPolarHBondContact CA-OG1 3.49Å; F77-T123 WeakPolarHBondContact CD2-O 3.24Å; F77-T123 WeakPolarHBondContact CE2-O 3.48Å; Y78-T123 HydrophobicContact CD1-CG2 3.58Å; Y78-T123 HydrophobicContact CE1-CG2 3.24Å; Y78-T123 PolarHBondContact N-OG1 3.33Å; Y78-T123 PolarHBondContact O-N 2.68Å; T123-E127 CarbonylContact C-O 3.56Å; T123-E127 WeakPolarHBondContact CA-O 3.49Å
124	R	81.5	Confident	87.8	Confident	86 Å²	86	55.8 Å²	55.8	33%	0.325	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	85.9	174.5	-172.1	177.5	-175.4	-154.7	-1.9	109.2	Y122 E127 V129 K392	Y122-R124 HydrophobicContact CE2-CB 4.39Å; R124-E127 PolarHBondContact N-O 2.88Å; R124-V129 HydrophobicContact CB-CG2 3.77Å; R124-K392 HydrophobicContact CG-CB 3.92Å; R124-K392 HydrophobicContact CG-CD 4.24Å
125	G	76.1	Confident	87.6	Confident	47 Å²	47	57.7 Å²	57.7	49%	0.485	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	68	-128	-162.8	0	0	0	0	0	109.1
126	N	76.5	Confident	87.4	Confident	171 Å²	171	57.2 Å²	57.2	91%	0.914	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-5	-179.8	-63.7	-7.2	0	0	0	114
127	E	83.9	Confident	87.3	Confident	105 Å²	105	57.3 Å²	57.3	49%	0.491	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	133.7	-177	-69.5	160.9	-137.1	0	0	110.9	T123 R124 K392	T123-E127 CarbonylContact C-O 3.56Å; T123-E127 WeakPolarHBondContact CA-O 3.49Å; R124-E127 PolarHBondContact N-O 2.88Å; E127-K392 IonicContact OE1-NZ 3.72Å; E127-K392 PolarHBondContact OE1-NZ 3.34Å
128	R	86.1	Confident	87.3	Confident	188 Å²	188	59.1 Å²	59.1	71%	0.709	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	118.7	167.2	-63.4	-176.7	-174.8	179.9	3.3	108.8	Y78	Y78-R128 WeakPolarHBondContact OH-CD 3.39Å
129	V	88.5	Confident	87.3	Confident	26 Å²	26	59.2 Å²	59.2	16%	0.158	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.8	179.9	-177.1	0	0	0	0	108.5	Y122 R124 R131	Y122-V129 HydrophobicContact CD1-CB 4.4Å; Y122-V129 HydrophobicContact CE1-CB 4Å; Y122-V129 HydrophobicContact CE1-CG1 3.84Å; Y122-V129 HydrophobicContact CE2-CB 4.37Å; Y122-V129 PolarHBondContact N-O 3.28Å; Y122-V129 PolarHBondContact O-N 3.13Å; R124-V129 HydrophobicContact CB-CG2 3.77Å; V129-R131 HydrophobicContact CG1-CG 4.27Å
130	Q	90.2	Very high	87.4	Confident	124 Å²	124	59 Å²	59	58%	0.579	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	134.4	169.7	-69.2	-178.7	-7.1	0	0	109.4	V120 E121	V120-Q130 WeakPolarHBondContact O-CA 3.46Å; E121-Q130 HydrophobicContact CB-CG 4.21Å; E121-Q130 HydrophobicContact CG-CG 4.06Å
131	R	89.4	Confident	87.7	Confident	125 Å²	125	59 Å²	59	47%	0.472	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	128.6	174.3	-68.7	-65.9	-168.5	173.8	0.4	108.6	D119 V120 Y122 V129 V396	D119-R131 WeakPolarHBondContact CA-O 3.37Å; V120-R131 HydrophobicContact CG2-CB 3.93Å; V120-R131 PolarHBondContact N-O 3.33Å; V120-R131 PolarHBondContact O-N 2.93Å; Y122-R131 HydrophobicContact CE1-CG 3.92Å; V129-R131 HydrophobicContact CG1-CG 4.27Å; R131-V396 HydrophobicContact CG-CG2 4.35Å
132	T	90.5	Very high	88	Confident	102 Å²	102	57.9 Å²	57.9	63%	0.626	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104	157.2	177	55.9	0	0	0	0	111.3	D119 L134	D119-T132 WeakPolarHBondContact OD1-CA 3.26Å; D119-T132 WeakPolarHBondContact OD1-CB 3.39Å; T132-L134 VanDerWaalsContact C-N 3.32Å; T132-L134 PolarHBondContact O-N 3.39Å
133	N	88.3	Confident	88.3	Confident	87 Å²	87	57.9 Å²	57.9	47%	0.465	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	57.8	37.3	176.3	-70.7	-52.7	0	0	0	114	R85 L117 D119 P135	R85-N133 VanDerWaalsContact CZ-OD1 3.24Å; R85-N133 PolarHBondContact NE-OD1 3.36Å; R85-N133 VanDerWaalsContact NH2-N 3.18Å; R85-N133 PolarHBondContact NH2-OD1 3.02Å; L117-N133 HydrophobicContact CD1-CB 4.3Å; L117-N133 WeakPolarHBondContact CD1-OD1 3.35Å; D119-N133 PolarHBondContact OD1-N 2.97Å; N133-P135 WeakPolarHBondContact O-CD 3.37Å
134	L	89.5	Confident	88.6	Confident	29 Å²	29	59.6 Å²	59.6	15%	0.152	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	123	179.2	-170.2	73.2	0	0	0	110.7	L117 V118 V120 T132 L136 V396 I399	L117-L134 CarbonylContact C-O 3.58Å; L117-L134 WeakPolarHBondContact CA-O 3.4Å; V118-L134 HydrophobicContact CG2-CB 4.08Å; V118-L134 WeakPolarHBondContact CG2-O 3.43Å; V118-L134 PolarHBondContact N-O 3.36Å; V118-L134 WeakPolarHBondContact O-CB 3.46Å; V118-L134 PolarHBondContact O-N 2.85Å; V120-L134 HydrophobicContact CG2-CD2 4.23Å; T132-L134 VanDerWaalsContact C-N 3.32Å; T132-L134 PolarHBondContact O-N 3.39Å; L134-L136 PolarHBondContact O-N 3.27Å; L134-V396 HydrophobicContact CD1-CG1 3.4Å; L134-V396 VanDerWaalsContact CD1-CG1 3.4Å; L134-V396 HydrophobicContact CD2-CG1 3.88Å; L134-V396 HydrophobicContact CD2-CG2 4.33Å; L134-V396 HydrophobicContact CG-CG1 4.31Å; L134-I399 HydrophobicContact CD2-CD1 3.42Å; L134-I399 VanDerWaalsContact CD2-CD1 3.42Å
135	P	88.9	Confident	89.2	Confident	40 Å²	40	55.5 Å²	55.5	26%	0.26	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	113.7	178.6	26.9	-33.4	0	0	0	111.7	I116 L117 N133	I116-P135 WeakPolarHBondContact O-CA 3.33Å; L117-P135 HydrophobicContact CD2-CB 4.1Å; N133-P135 WeakPolarHBondContact O-CD 3.37Å
136	L	88.7	Confident	90	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	-32.7	178.5	-167.5	73.8	0	0	0	112.6	Y81 I116 V118 L134 F370 L373 I399 K401 I404	Y81-L136 HydrophobicContact CE1-CD1 4.35Å; I116-L136 HydrophobicContact CB-CB 4.42Å; I116-L136 HydrophobicContact CG2-CB 4.39Å; I116-L136 HydrophobicContact CG2-CD2 4.46Å; I116-L136 PolarHBondContact O-N 3.29Å; V118-L136 HydrophobicContact CG1-CB 4.1Å; V118-L136 HydrophobicContact CG1-CD2 4.05Å; V118-L136 HydrophobicContact CG1-CG 4.48Å; V118-L136 HydrophobicContact CG2-CB 4.27Å; V118-L136 HydrophobicContact CG2-CD1 4.29Å; L134-L136 PolarHBondContact O-N 3.27Å; L136-F370 HydrophobicContact CD2-CD2 3.99Å; L136-F370 HydrophobicContact CD2-CE2 3.94Å; L136-L373 HydrophobicContact CD1-CD2 3.57Å; L136-L373 HydrophobicContact CG-CD2 4.09Å; L136-I399 HydrophobicContact CD1-CG2 4.2Å; L136-K401 WeakPolarHBondContact O-CA 3.48Å; L136-I404 HydrophobicContact CD2-CD1 3.54Å; L136-I404 HydrophobicContact CG-CD1 3.7Å
137	G	89	Confident	90.8	Very high	3 Å²	3	54.2 Å²	54.2	3%	0.031	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.3	-169.7	-175.2	0	0	0	0	0	110.8	P115 I116	P115-G137 WeakPolarHBondContact CA-O 3.18Å; I116-G137 PolarHBondContact N-O 2.94Å
138	R	91	Very high	91.3	Very high	51 Å²	51	49.6 Å²	49.6	19%	0.192	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.2	176	-54.2	-174.1	67.5	84	12	111.4	N90 S113 A114 T405	N90-R138 PolarHBondContact O-NH2 2.71Å; N90-R138 PolarHBondContact OD1-NH1 3Å; N90-R138 VanDerWaalsContact OD1-NH1 3.15Å; N90-R138 PolarHBondContact OD1-NH2 3.13Å; S113-R138 PolarHBondContact O-NH2 3.39Å; S113-R138 PolarHBondContact OG-NE 2.86Å; A114-R138 CarbonylContact O-C 3.58Å; A114-R138 VanDerWaalsContact O-CA 3.26Å; A114-R138 WeakPolarHBondContact O-CA 3.16Å; R138-T405 HydrophobicContact CB-CG2 4.13Å; R138-T405 PolarHBondContact N-OG1 3.09Å; R138-T405 VanDerWaalsContact N-OG1 3.08Å
139	L	91.9	Very high	91.7	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.7	176	-177.5	63.6	0	0	0	109.7	F54 F57 V58 V86 S113 A114 I116 I141 I362 L408	F54-L139 HydrophobicContact CZ-CD2 4.39Å; F57-L139 HydrophobicContact CE1-CD1 4.1Å; F57-L139 HydrophobicContact CE1-CD2 4.07Å; V58-L139 HydrophobicContact CG2-CD2 4.04Å; V86-L139 HydrophobicContact CG1-CD2 4.07Å; V86-L139 HydrophobicContact CG2-CD2 4.12Å; S113-L139 CarbonylContact C-O 3.5Å; S113-L139 WeakPolarHBondContact CA-O 3.32Å; S113-L139 WeakPolarHBondContact CB-O 3.43Å; A114-L139 PolarHBondContact N-O 2.85Å; A114-L139 PolarHBondContact O-N 2.76Å; I116-L139 HydrophobicContact CD1-CB 3.96Å; I116-L139 HydrophobicContact CG1-CB 3.87Å; L139-I141 HydrophobicContact CD2-CD1 4.19Å; L139-I141 HydrophobicContact CG-CD1 4.3Å; L139-I141 PolarHBondContact O-N 3.02Å; L139-I362 HydrophobicContact CD1-CG2 4.49Å; L139-L408 HydrophobicContact CD1-CD1 3.8Å
140	P	93.3	Very high	91.9	Very high	17 Å²	17	41.6 Å²	41.6	11%	0.11	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	126.1	168	-23.6	35	0	0	0	111	F54 T111 Y112 F172 L408	F54-P140 WeakPolarHBondContact CZ-O 3.45Å; T111-P140 HydrophobicContact CG2-CG 4.46Å; Y112-P140 WeakPolarHBondContact O-CA 3.44Å; P140-F172 HydrophobicContact CB-CD1 4.06Å; P140-L408 HydrophobicContact CG-CB 4.13Å
141	I	95.1	Very high	92	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-95.9	131.7	-178	-63.2	-53.6	0	0	0	109.8	F54 V86 P89 Y112 A114 L139 S145 R147 C148	F54-I141 HydrophobicContact CE1-CD1 4.42Å; F54-I141 HydrophobicContact CZ-CD1 4.2Å; V86-I141 HydrophobicContact CG1-CD1 4.01Å; P89-I141 HydrophobicContact CG-CB 3.87Å; P89-I141 HydrophobicContact CG-CG1 3.74Å; P89-I141 HydrophobicContact CG-CG2 4.08Å; Y112-I141 HydrophobicContact CD1-CB 4.06Å; Y112-I141 HydrophobicContact CD1-CG2 4.48Å; Y112-I141 WeakPolarHBondContact CD1-O 3.48Å; Y112-I141 HydrophobicContact CE1-CB 3.99Å; Y112-I141 HydrophobicContact CE1-CG2 3.96Å; Y112-I141 PolarHBondContact O-N 3.01Å; A114-I141 HydrophobicContact CB-CD1 3.96Å; A114-I141 HydrophobicContact CB-CG1 3.63Å; L139-I141 HydrophobicContact CD2-CD1 4.19Å; L139-I141 HydrophobicContact CG-CD1 4.3Å; L139-I141 PolarHBondContact O-N 3.02Å; I141-S145 WeakPolarHBondContact CG2-OG 3.34Å; I141-R147 HydrophobicContact CD1-CB 4.38Å; I141-R147 HydrophobicContact CG2-CB 4.41Å; I141-C148 HydrophobicContact CG2-CB 4.15Å
142	M	95.4	Very high	91.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-72	136.9	174.9	-174	-178.5	-75	0	0	110.1	H50 I51 F54 S145 G170 F172 A358	H50-M142 HydrophobicContact CB-CE 4.11Å; H50-M142 HydrophobicContact CB-SD 4.08Å; I51-M142 HydrophobicContact CG1-SD 4.09Å; F54-M142 HydrophobicContact CB-CB 4.46Å; F54-M142 HydrophobicContact CB-CE 3.81Å; F54-M142 HydrophobicContact CB-SD 3.94Å; F54-M142 HydrophobicContact CD1-CB 3.67Å; F54-M142 HydrophobicContact CD2-CB 4.33Å; F54-M142 HydrophobicContact CD2-CE 4.4Å; F54-M142 HydrophobicContact CE1-CB 3.91Å; F54-M142 HydrophobicContact CG-CB 3.88Å; F54-M142 HydrophobicContact CG-CE 4.19Å; F54-M142 HydrophobicContact CG-SD 4.37Å; F54-M142 HydrophobicContact CZ-CB 4.35Å; M142-S145 VanDerWaalsContact O-CB 3.31Å; M142-S145 WeakPolarHBondContact O-CB 2.88Å; M142-S145 PolarHBondContact O-N 3.48Å; M142-S145 PolarHBondContact O-OG 3.26Å; M142-G170 VanDerWaalsContact SD-CA 3.58Å; M142-F172 HydrophobicContact CB-CD1 4.27Å; M142-F172 HydrophobicContact CB-CE1 3.69Å; M142-F172 HydrophobicContact CB-CZ 3.85Å; M142-F172 HydrophobicContact CE-CE2 3.57Å; M142-F172 HydrophobicContact CE-CZ 3.51Å; M142-F172 HydrophobicContact CG-CZ 4.31Å; M142-A358 HydrophobicContact CE-CB 3.81Å
143	L	95.1	Very high	92	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	140	176.7	-61.9	-176.1	0	0	0	111.5	P102 Y112 S145 G170 Y171 I173	P102-L143 HydrophobicContact CB-CD1 4.38Å; P102-L143 HydrophobicContact CB-CD2 3.66Å; P102-L143 HydrophobicContact CG-CD2 3.4Å; Y112-L143 HydrophobicContact CD1-CD2 3.85Å; Y112-L143 HydrophobicContact CE1-CD2 3.76Å; L143-S145 PolarHBondContact O-N 3.18Å; L143-G170 PolarHBondContact O-N 3.38Å; L143-Y171 HydrophobicContact CD1-CD2 4.01Å; L143-Y171 HydrophobicContact CD1-CE1 4.08Å; L143-Y171 HydrophobicContact CD1-CE2 3.32Å; L143-Y171 WeakPolarHBondContact CD1-OH 3.44Å; L143-Y171 HydrophobicContact CG-CE2 4.39Å; L143-Y171 PolarHBondContact N-O 2.97Å; L143-I173 HydrophobicContact CD1-CD1 4.01Å; L143-I173 HydrophobicContact CD1-CG1 4.35Å; L143-I173 HydrophobicContact CD2-CD1 4.23Å
144	H	92.6	Very high	92.3	Very high	49 Å²	49	33.7 Å²	33.7	23%	0.227	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	7.2	-172.7	-66.3	-91.7	0	0	0	116.2	I51	I51-H144 HydrophobicContact CD1-CB 3.88Å
145	S	94.3	Very high	92.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-69.4	164.7	167.1	64.7	0	0	0	0	112.8	N55 I141 M142 L143 R147 C148 A151	N55-S145 WeakPolarHBondContact OD1-CA 3.29Å; N55-S145 WeakPolarHBondContact OD1-CB 3.48Å; I141-S145 WeakPolarHBondContact CG2-OG 3.34Å; M142-S145 VanDerWaalsContact O-CB 3.31Å; M142-S145 WeakPolarHBondContact O-CB 2.88Å; M142-S145 PolarHBondContact O-N 3.48Å; M142-S145 PolarHBondContact O-OG 3.26Å; L143-S145 PolarHBondContact O-N 3.18Å; S145-R147 PolarHBondContact O-N 2.99Å; S145-R147 VanDerWaalsContact O-N 3.08Å; S145-C148 WeakPolarHBondContact O-CB 3.43Å; S145-C148 PolarHBondContact O-N 3.06Å; S145-A151 WeakPolarHBondContact O-CB 3.36Å
146	N	93	Very high	92.7	Very high	95 Å²	95	45.1 Å²	45.1	51%	0.508	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-31.9	-177.8	-71	-7.6	0	0	0	113.3	N55 D59	N55-N146 VanDerWaalsContact CG-CG 3.44Å; N55-N146 VanDerWaalsContact ND2-CG 3.32Å; N55-N146 PolarHBondContact ND2-ND2 3.31Å; N55-N146 PolarHBondContact ND2-OD1 3.18Å; N55-N146 PolarHBondContact OD1-N 3.13Å; D59-N146 PolarHBondContact OD2-ND2 3.06Å
147	R	92.9	Very high	93	Very high	96 Å²	96	49.2 Å²	49.2	36%	0.362	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-4.4	179.1	-54.1	-60.3	171.7	175.7	-4.1	113.7	V58 D59 P89 I141 S145	V58-R147 HydrophobicContact CG1-CG 3.94Å; D59-R147 IonicContact OD1-CZ 3.57Å; D59-R147 IonicContact OD1-NE 3.32Å; D59-R147 IonicContact OD1-NH2 3.58Å; D59-R147 PolarHBondContact OD1-NH2 3.04Å; P89-R147 WeakPolarHBondContact CD-O 3.45Å; I141-R147 HydrophobicContact CD1-CB 4.38Å; I141-R147 HydrophobicContact CG2-CB 4.41Å; S145-R147 PolarHBondContact O-N 2.99Å; S145-R147 VanDerWaalsContact O-N 3.08Å
148	C	94.5	Very high	93.2	Very high	7 Å²	7	49.6 Å²	49.6	5%	0.047	27%	0.266	C	S	.	.	S	Bend	trans	-78.9	142.3	178.7	-175.2	0	0	0	0	111	Y112 I141 S145 L150 A151	Y112-C148 PolarHBondContact OH-SG 3.25Å; Y112-C148 VanDerWaalsContact OH-SG 3.35Å; I141-C148 HydrophobicContact CG2-CB 4.15Å; S145-C148 WeakPolarHBondContact O-CB 3.43Å; S145-C148 PolarHBondContact O-N 3.06Å; C148-L150 PolarHBondContact O-N 2.73Å; C148-L150 VanDerWaalsContact O-N 3.12Å; C148-A151 WeakPolarHBondContact O-CB 3.35Å; C148-A151 PolarHBondContact O-N 3.36Å; C148-A151 VanDerWaalsContact O-N 3.12Å
149	V	93.7	Very high	93.2	Very high	43 Å²	43	52.7 Å²	52.7	26%	0.261	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-21.6	177.4	-178.8	0	0	0	0	112.5	Y112 K153 M161	Y112-V149 PolarHBondContact OH-N 3.08Å; V149-K153 WeakPolarHBondContact O-CE 3.26Å; V149-K153 WeakPolarHBondContact O-CG 3.38Å; V149-M161 HydrophobicContact CG1-SD 3.98Å
150	L	93.2	Very high	93.2	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.021	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-11.9	179.7	-53.7	-176.1	0	0	0	113.9	P102 C148 L158 M161 E163	P102-L150 HydrophobicContact CG-CD1 3.93Å; P102-L150 HydrophobicContact CG-CD2 4.38Å; P102-L150 HydrophobicContact CG-CG 4.06Å; C148-L150 PolarHBondContact O-N 2.73Å; C148-L150 VanDerWaalsContact O-N 3.12Å; L150-L158 HydrophobicContact CB-CD2 4.13Å; L150-L158 HydrophobicContact CD2-CD2 3.88Å; L150-L158 HydrophobicContact CG-CD2 4.47Å; L150-M161 HydrophobicContact CD2-CE 3.59Å; L150-M161 HydrophobicContact CD2-SD 3.99Å; L150-E163 HydrophobicContact CD1-CG 4.17Å; L150-E163 HydrophobicContact CD2-CG 3.96Å
151	A	91.4	Very high	93.2	Very high	36 Å²	36	56.6 Å²	56.6	30%	0.298	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	133.8	-176.7	0	0	0	0	0	111.6	S145 C148 K153	S145-A151 WeakPolarHBondContact O-CB 3.36Å; C148-A151 WeakPolarHBondContact O-CB 3.35Å; C148-A151 PolarHBondContact O-N 3.36Å; C148-A151 VanDerWaalsContact O-N 3.12Å; A151-K153 PolarHBondContact O-N 2.91Å
152	G	88.1	Confident	93.1	Very high	88 Å²	88	62.1 Å²	62.1	91%	0.907	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	9.5	178.1	0	0	0	0	0	115.6
153	K	92.6	Very high	93	Very high	87 Å²	87	62.5 Å²	62.5	38%	0.378	35%	0.345	S	S	.	.			trans	-81.3	140.7	-178.9	-64.5	-64.9	-177.1	-174.8	0	112	V149 A151 E157 L158 M161	V149-K153 WeakPolarHBondContact O-CE 3.26Å; V149-K153 WeakPolarHBondContact O-CG 3.38Å; A151-K153 PolarHBondContact O-N 2.91Å; K153-E157 WeakPolarHBondContact CA-OE2 3.2Å; K153-E157 HydrophobicContact CB-CB 4.16Å; K153-E157 HydrophobicContact CD-CB 4.21Å; K153-E157 WeakPolarHBondContact CD-OE2 3.45Å; K153-E157 IonicContact NZ-OE1 3.26Å; K153-L158 HydrophobicContact CB-CD2 3.99Å; K153-L158 HydrophobicContact CB-CG 4.11Å; K153-M161 HydrophobicContact CB-CE 4.18Å; K153-M161 HydrophobicContact CD-CE 4.42Å; K153-M161 HydrophobicContact CG-CE 3.85Å
154	S	94.3	Very high	92.9	Very high	60 Å²	60	62.7 Å²	62.7	42%	0.42	35%	0.346	S	S	.	.			trans	-70.5	159.7	173.4	66.2	0	0	0	0	111.4	K156 E157 L158	S154-K156 PolarHBondContact O-N 3.03Å; S154-E157 PolarHBondContact N-OE2 3.09Å; S154-E157 PolarHBondContact O-N 2.81Å; S154-E157 WeakPolarHBondContact OG-CG 3.24Å; S154-E157 PolarHBondContact OG-N 3.42Å; S154-E157 PolarHBondContact OG-OE2 2.95Å; S154-L158 WeakPolarHBondContact O-CG 3.4Å; S154-L158 PolarHBondContact O-N 2.72Å
155	E	92.2	Very high	92.9	Very high	128 Å²	128	61.8 Å²	61.8	60%	0.598	34%	0.344	S	S	*	.	H	α-helix	trans	-55.1	-37.7	178.4	-59	-171.6	163.3	0	0	112.6	L158 M159 P165	E155-L158 PolarHBondContact O-N 3.34Å; E155-M159 VanDerWaalsContact O-CG 3.31Å; E155-M159 WeakPolarHBondContact O-CG 3.41Å; E155-M159 PolarHBondContact O-N 2.96Å; E155-P165 HydrophobicContact CB-CB 4.28Å; E155-P165 HydrophobicContact CB-CG 4.08Å; E155-P165 HydrophobicContact CG-CB 4.06Å; E155-P165 HydrophobicContact CG-CG 4.41Å
156	K	94.3	Very high	92.7	Very high	182 Å²	182	63.8 Å²	63.8	79%	0.791	36%	0.355	S	S	*	.	H	α-helix	trans	-65.5	-41.1	177.6	-68.4	-176.1	-179.4	178.1	0	112.2	S154 M159 G160	S154-K156 PolarHBondContact O-N 3.03Å; K156-M159 PolarHBondContact O-N 3.25Å; K156-G160 PolarHBondContact O-N 3.21Å
157	E	94.5	Very high	92.6	Very high	86 Å²	86	59.9 Å²	59.9	40%	0.402	33%	0.334	S	S	.	.	H	α-helix	trans	-67.6	-39.7	176.5	-69.8	173.3	125.8	0	0	111.4	K153 S154 M159 G160 M161	K153-E157 WeakPolarHBondContact CA-OE2 3.2Å; K153-E157 HydrophobicContact CB-CB 4.16Å; K153-E157 HydrophobicContact CD-CB 4.21Å; K153-E157 WeakPolarHBondContact CD-OE2 3.45Å; K153-E157 IonicContact NZ-OE1 3.26Å; S154-E157 PolarHBondContact N-OE2 3.09Å; S154-E157 PolarHBondContact O-N 2.81Å; S154-E157 WeakPolarHBondContact OG-CG 3.24Å; S154-E157 PolarHBondContact OG-N 3.42Å; S154-E157 PolarHBondContact OG-OE2 2.95Å; E157-M159 VanDerWaalsContact C-N 3.35Å; E157-M159 PolarHBondContact O-N 3.41Å; E157-G160 WeakPolarHBondContact O-CA 3.44Å; E157-G160 PolarHBondContact O-N 3.39Å; E157-G160 VanDerWaalsContact O-N 3.16Å; E157-M161 WeakPolarHBondContact O-CG 3.4Å; E157-M161 PolarHBondContact O-N 3.45Å
158	L	93.2	Very high	92.4	Very high	11 Å²	11	56.3 Å²	56.3	6%	0.058	32%	0.323	C	S	.	.	H	α-helix	trans	-60.7	-43.7	174.5	-67.8	173.7	0	0	0	111.6	L150 K153 S154 E155 G160 M161 K162 E163 P165	L150-L158 HydrophobicContact CB-CD2 4.13Å; L150-L158 HydrophobicContact CD2-CD2 3.88Å; L150-L158 HydrophobicContact CG-CD2 4.47Å; K153-L158 HydrophobicContact CB-CD2 3.99Å; K153-L158 HydrophobicContact CB-CG 4.11Å; S154-L158 WeakPolarHBondContact O-CG 3.4Å; S154-L158 PolarHBondContact O-N 2.72Å; E155-L158 PolarHBondContact O-N 3.34Å; L158-G160 VanDerWaalsContact C-N 3.33Å; L158-G160 PolarHBondContact O-N 3.12Å; L158-M161 HydrophobicContact CD2-CE 3.88Å; L158-M161 CarbonylContact O-C 3.52Å; L158-M161 PolarHBondContact O-N 3.31Å; L158-M161 VanDerWaalsContact O-N 3.16Å; L158-K162 PolarHBondContact O-N 3.25Å; L158-K162 VanDerWaalsContact O-N 3.16Å; L158-E163 PolarHBondContact O-N 3.42Å; L158-P165 HydrophobicContact CB-CG 4.44Å; L158-P165 HydrophobicContact CD1-CB 4.25Å
159	M	91.8	Very high	92.3	Very high	115 Å²	115	56 Å²	56	57%	0.567	32%	0.321	S	S	*	.	H	α-helix	trans	-62.4	-39.9	173.3	-69.9	-178.9	-169.7	0	0	111.9	E155 K156 E157 M161 K162 P165	E155-M159 VanDerWaalsContact O-CG 3.31Å; E155-M159 WeakPolarHBondContact O-CG 3.41Å; E155-M159 PolarHBondContact O-N 2.96Å; K156-M159 PolarHBondContact O-N 3.25Å; E157-M159 VanDerWaalsContact C-N 3.35Å; E157-M159 PolarHBondContact O-N 3.41Å; M159-M161 PolarHBondContact O-N 3.11Å; M159-K162 WeakPolarHBondContact O-CA 3.41Å; M159-K162 PolarHBondContact O-N 2.97Å; M159-P165 HydrophobicContact CE-CG 4.09Å; M159-P165 HydrophobicContact CG-CG 4.41Å
160	G	92.5	Very high	92.2	Very high	66 Å²	66	54 Å²	54	68%	0.68	31%	0.309	S	S	*	.	H	α-helix	trans	-59.1	-35.7	173.2	0	0	0	0	0	113	K156 E157 L158 K162	K156-G160 PolarHBondContact O-N 3.21Å; E157-G160 WeakPolarHBondContact O-CA 3.44Å; E157-G160 PolarHBondContact O-N 3.39Å; E157-G160 VanDerWaalsContact O-N 3.16Å; L158-G160 VanDerWaalsContact C-N 3.33Å; L158-G160 PolarHBondContact O-N 3.12Å; G160-K162 VanDerWaalsContact C-N 3.27Å; G160-K162 PolarHBondContact O-N 3.38Å
161	M	92.1	Very high	92.3	Very high	36 Å²	36	53.8 Å²	53.8	18%	0.177	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	6	173.4	-64	-175.9	-72.3	0	0	114	V149 L150 K153 E157 L158 M159 E163	V149-M161 HydrophobicContact CG1-SD 3.98Å; L150-M161 HydrophobicContact CD2-CE 3.59Å; L150-M161 HydrophobicContact CD2-SD 3.99Å; K153-M161 HydrophobicContact CB-CE 4.18Å; K153-M161 HydrophobicContact CD-CE 4.42Å; K153-M161 HydrophobicContact CG-CE 3.85Å; E157-M161 WeakPolarHBondContact O-CG 3.4Å; E157-M161 PolarHBondContact O-N 3.45Å; L158-M161 HydrophobicContact CD2-CE 3.88Å; L158-M161 CarbonylContact O-C 3.52Å; L158-M161 PolarHBondContact O-N 3.31Å; L158-M161 VanDerWaalsContact O-N 3.16Å; M159-M161 PolarHBondContact O-N 3.11Å; M161-E163 PolarHBondContact O-N 2.97Å
162	K	93.4	Very high	92.5	Very high	116 Å²	116	52.9 Å²	52.9	50%	0.504	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	27.4	-177.5	-54.3	177.4	-178	172.3	0	114.2	L158 M159 G160 N689	L158-K162 PolarHBondContact O-N 3.25Å; L158-K162 VanDerWaalsContact O-N 3.16Å; M159-K162 WeakPolarHBondContact O-CA 3.41Å; M159-K162 PolarHBondContact O-N 2.97Å; G160-K162 VanDerWaalsContact C-N 3.27Å; G160-K162 PolarHBondContact O-N 3.38Å; K162-N689 VanDerWaalsContact O-CB 3.3Å; K162-N689 WeakPolarHBondContact O-CB 3.46Å; K162-N689 PolarHBondContact O-ND2 3.17Å
163	E	94	Very high	92.7	Very high	8 Å²	8	48.7 Å²	48.7	4%	0.037	25%	0.254	C	S	.	.			trans	-99.3	158.2	172.4	-67.1	-60.9	159.9	0	0	111.5	H103 R106 L150 L158 M161	H103-E163 WeakPolarHBondContact CA-OE1 3.42Å; H103-E163 WeakPolarHBondContact CB-OE1 3.46Å; H103-E163 PolarHBondContact N-OE1 3.36Å; R106-E163 IonicContact CZ-OE1 3.46Å; R106-E163 IonicContact CZ-OE2 3.94Å; R106-E163 IonicContact NH1-OE1 2.93Å; R106-E163 PolarHBondContact NH1-OE1 3.12Å; R106-E163 IonicContact NH1-OE2 3.82Å; R106-E163 PolarHBondContact NH1-OE2 3.34Å; R106-E163 IonicContact NH2-OE1 3.81Å; R106-E163 IonicContact NH2-OE2 2.7Å; R106-E163 PolarHBondContact NH2-OE2 2.65Å; L150-E163 HydrophobicContact CD1-CG 4.17Å; L150-E163 HydrophobicContact CD2-CG 3.96Å; L158-E163 PolarHBondContact O-N 3.42Å; M161-E163 PolarHBondContact O-N 2.97Å
164	C	92.9	Very high	92.6	Very high	3 Å²	3	45 Å²	45	2%	0.02	24%	0.24	C	C	.	.			trans	-89.3	127.2	177	-179.9	0	0	0	0	109.9	L166 D167 A687 C688	C164-L166 PolarHBondContact O-N 3.39Å; C164-D167 HydrophobicContact CB-CB 4.36Å; C164-D167 PolarHBondContact O-N 3.27Å; C164-A687 HydrophobicContact CB-CB 3.87Å; C164-C688 HydrophobicContact CB-CB 4.34Å; C164-C688 PolarHBondContact SG-N 3.01Å; C164-C688 VanDerWaalsContact SG-SG 3.63Å
165	P	91.8	Very high	92.3	Very high	30 Å²	30	50.4 Å²	50.4	20%	0.195	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-26.2	177	-25.7	34.8	0	0	0	114.7	E155 L158 M159	E155-P165 HydrophobicContact CB-CB 4.28Å; E155-P165 HydrophobicContact CB-CG 4.08Å; E155-P165 HydrophobicContact CG-CB 4.06Å; E155-P165 HydrophobicContact CG-CG 4.41Å; L158-P165 HydrophobicContact CB-CG 4.44Å; L158-P165 HydrophobicContact CD1-CB 4.25Å; M159-P165 HydrophobicContact CE-CG 4.09Å; M159-P165 HydrophobicContact CG-CG 4.41Å
166	L	90.4	Very high	92	Very high	43 Å²	43	45 Å²	45	23%	0.225	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-5	-177.5	-60.5	173	0	0	0	113.5	C164 Y434 T721 L722	C164-L166 PolarHBondContact O-N 3.39Å; L166-Y434 HydrophobicContact CB-CE2 4.42Å; L166-Y434 WeakPolarHBondContact O-CE2 3.4Å; L166-Y434 PolarHBondContact O-OH 2.92Å; L166-T721 WeakPolarHBondContact CD1-OG1 3.18Å; L166-L722 HydrophobicContact CB-CD1 4.3Å; L166-L722 HydrophobicContact CD1-CD1 3.82Å; L166-L722 HydrophobicContact CD1-CD2 4.45Å; L166-L722 HydrophobicContact CD1-CG 3.91Å
167	D	91.4	Very high	91.8	Very high	13 Å²	13	38 Å²	38	7%	0.07	20%	0.204	C	C	.	.			trans	-62.9	127.3	-179	-166.5	29.5	0	0	0	110	C164 G169 Y171 R431	C164-D167 HydrophobicContact CB-CB 4.36Å; C164-D167 PolarHBondContact O-N 3.27Å; D167-G169 PolarHBondContact O-N 3.2Å; D167-Y171 WeakPolarHBondContact OD2-CE1 3.38Å; D167-Y171 PolarHBondContact OD2-OH 3.25Å; D167-R431 IonicContact OD1-CZ 3.87Å; D167-R431 VanDerWaalsContact OD1-CZ 3.25Å; D167-R431 IonicContact OD1-NH1 3.61Å; D167-R431 PolarHBondContact OD1-NH1 2.9Å; D167-R431 IonicContact OD1-NH2 3.66Å; D167-R431 PolarHBondContact OD1-NH2 3.23Å; D167-R431 IonicContact OD2-NH2 3.56Å; D167-R431 PolarHBondContact OD2-NH2 3.32Å; D167-R431 VanDerWaalsContact OD2-NH2 3.17Å
168	P	88.8	Confident	91.8	Very high	21 Å²	21	34.4 Å²	34.4	14%	0.136	19%	0.188	C	C	.	.			trans	-58.8	-21.8	-176.7	15.3	-32.5	0	0	0	116.3	V47 L438 M441	V47-P168 HydrophobicContact CB-CB 4.37Å; V47-P168 HydrophobicContact CG1-CB 4.42Å; V47-P168 HydrophobicContact CG2-CB 3.77Å; P168-L438 HydrophobicContact CB-CD2 3.69Å; P168-L438 HydrophobicContact CG-CD2 3.84Å; P168-M441 HydrophobicContact CB-CG 4.48Å; P168-M441 HydrophobicContact CG-CG 4.4Å
169	G	91.6	Very high	91.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.198	C	C	.	.			trans	63.9	-159.1	-167.5	0	0	0	0	0	112.6	D167 Y171 M441	D167-G169 PolarHBondContact O-N 3.2Å; G169-Y171 VanDerWaalsContact C-N 3.34Å; G169-Y171 WeakPolarHBondContact O-CD1 3.39Å; G169-Y171 PolarHBondContact O-N 3.48Å; G169-M441 WeakPolarHBondContact O-CE 3.46Å
170	G	92.5	Very high	91.7	Very high	1 Å²	1	32 Å²	32	1%	0.01	17%	0.171	C	C	.	.			trans	80.3	7.5	174.7	0	0	0	0	0	115.9	M142 L143 M441	M142-G170 VanDerWaalsContact SD-CA 3.58Å; L143-G170 PolarHBondContact O-N 3.38Å; G170-M441 VanDerWaalsContact C-CE 3.47Å; G170-M441 VanDerWaalsContact O-CE 3.26Å; G170-M441 WeakPolarHBondContact O-CE 3.32Å
171	Y	94.8	Very high	91.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.141	C	C	.	.			trans	-121.8	166.5	178.2	64.6	-91.7	0	0	0	111.6	R106 L143 D167 G169 I173 E178 L429 R431	R106-Y171 PolarHBondContact NH2-OH 3.46Å; L143-Y171 HydrophobicContact CD1-CD2 4.01Å; L143-Y171 HydrophobicContact CD1-CE1 4.08Å; L143-Y171 HydrophobicContact CD1-CE2 3.32Å; L143-Y171 WeakPolarHBondContact CD1-OH 3.44Å; L143-Y171 HydrophobicContact CG-CE2 4.39Å; L143-Y171 PolarHBondContact N-O 2.97Å; D167-Y171 WeakPolarHBondContact OD2-CE1 3.38Å; D167-Y171 PolarHBondContact OD2-OH 3.25Å; G169-Y171 VanDerWaalsContact C-N 3.34Å; G169-Y171 WeakPolarHBondContact O-CD1 3.39Å; G169-Y171 PolarHBondContact O-N 3.48Å; Y171-I173 HydrophobicContact CE2-CG1 4.41Å; Y171-E178 HydrophobicContact CD2-CB 3.87Å; Y171-E178 HydrophobicContact CD2-CG 4.11Å; Y171-E178 HydrophobicContact CE2-CB 3.9Å; Y171-E178 VanDerWaalsContact CE2-CD 3.48Å; Y171-E178 HydrophobicContact CE2-CG 3.61Å; Y171-E178 PolarHBondContact OH-OE1 2.94Å; Y171-L429 HydrophobicContact CD1-CD2 3.87Å; Y171-L429 HydrophobicContact CD2-CD2 4.48Å; Y171-L429 HydrophobicContact CE1-CD2 4.05Å; Y171-L429 HydrophobicContact CG-CD2 4.12Å; Y171-R431 VanDerWaalsContact CZ-NH2 3.26Å; Y171-R431 PolarHBondContact OH-NH2 3.36Å
172	F	94.3	Very high	91.7	Very high	16 Å²	16	27.6 Å²	27.6	7%	0.07	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	150.9	-178.8	-61.3	-87.5	0	0	0	111.1	F54 P140 M142 E178 R179 I181 I362	F54-F172 HydrophobicContact CD2-CE1 4.17Å; F54-F172 AromaticContact CD2-CZ 3.9Å; F54-F172 HydrophobicContact CD2-CZ 3.9Å; F54-F172 AromaticContact CE2-CE1 3.76Å; F54-F172 HydrophobicContact CE2-CE1 3.76Å; F54-F172 AromaticContact CE2-CZ 3.95Å; F54-F172 HydrophobicContact CE2-CZ 3.95Å; F54-F172 HydrophobicContact CZ-CE1 4.2Å; P140-F172 HydrophobicContact CB-CD1 4.06Å; M142-F172 HydrophobicContact CB-CD1 4.27Å; M142-F172 HydrophobicContact CB-CE1 3.69Å; M142-F172 HydrophobicContact CB-CZ 3.85Å; M142-F172 HydrophobicContact CE-CE2 3.57Å; M142-F172 HydrophobicContact CE-CZ 3.51Å; M142-F172 HydrophobicContact CG-CZ 4.31Å; F172-E178 CarbonylContact O-C 3.58Å; F172-E178 WeakPolarHBondContact O-CA 3.29Å; F172-R179 PolarHBondContact N-O 3.41Å; F172-R179 PolarHBondContact O-N 3.28Å; F172-I181 HydrophobicContact CD2-CD1 4.24Å; F172-I181 HydrophobicContact CD2-CG1 4.33Å; F172-I181 HydrophobicContact CE2-CD1 3.65Å; F172-I181 HydrophobicContact CE2-CG1 4.08Å; F172-I181 HydrophobicContact CZ-CD1 4.36Å; F172-I362 HydrophobicContact CE1-CD1 4.17Å; F172-I362 HydrophobicContact CE2-CD1 4.11Å; F172-I362 HydrophobicContact CZ-CD1 3.45Å; F172-I362 VanDerWaalsContact CZ-CD1 3.45Å
173	I	93.5	Very high	91.7	Very high	1 Å²	1	22 Å²	22	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	111.3	169.5	-60.7	165.8	0	0	0	108.2	P102 C105 R106 T111 Y112 L143 Y171 S177	P102-I173 HydrophobicContact CB-CD1 3.67Å; C105-I173 HydrophobicContact CB-CG2 3.98Å; R106-I173 HydrophobicContact CG-CD1 3.87Å; R106-I173 HydrophobicContact CG-CG1 4.35Å; R106-I173 HydrophobicContact CG-CG2 4.24Å; T111-I173 WeakPolarHBondContact CA-O 3.47Å; Y112-I173 PolarHBondContact N-O 3.12Å; L143-I173 HydrophobicContact CD1-CD1 4.01Å; L143-I173 HydrophobicContact CD1-CG1 4.35Å; L143-I173 HydrophobicContact CD2-CD1 4.23Å; Y171-I173 HydrophobicContact CE2-CG1 4.41Å; I173-S177 WeakPolarHBondContact CA-O 3.43Å
174	A	89.5	Confident	91.5	Very high	10 Å²	10	22.3 Å²	22.3	8%	0.083	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	118.6	178	0	0	0	0	0	110	G176 S177	A174-G176 VanDerWaalsContact C-N 3.27Å; A174-G176 PolarHBondContact O-N 2.83Å; A174-S177 PolarHBondContact N-O 3.15Å; A174-S177 PolarHBondContact O-N 3.3Å; A174-S177 PolarHBondContact O-OG 3.29Å
175	R	87.7	Confident	91.4	Very high	172 Å²	172	22.6 Å²	22.6	65%	0.649	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.1	46.5	-177.1	-58	-179.2	179.3	176.9	-1.5	112.8	D109 M110 T111 S177	D109-R175 CarbonylContact O-C 3.48Å; D109-R175 VanDerWaalsContact O-CA 3.29Å; D109-R175 WeakPolarHBondContact O-CA 3.24Å; M110-R175 PolarHBondContact O-N 3.41Å; T111-R175 PolarHBondContact OG1-N 2.63Å; R175-S177 PolarHBondContact O-N 3.32Å; R175-S177 VanDerWaalsContact O-N 3.14Å
176	G	87.8	Confident	91.2	Very high	16 Å²	16	22.1 Å²	22.1	17%	0.165	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	-10.9	-176	0	0	0	0	0	116.4	M110 A174	M110-G176 PolarHBondContact O-N 2.63Å; A174-G176 VanDerWaalsContact C-N 3.27Å; A174-G176 PolarHBondContact O-N 2.83Å
177	S	90.3	Very high	91.1	Very high	34 Å²	34	23.9 Å²	23.9	24%	0.238	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	132.7	178.5	67.7	0	0	0	0	112.1	I173 A174 R175 R179	I173-S177 WeakPolarHBondContact CA-O 3.43Å; A174-S177 PolarHBondContact N-O 3.15Å; A174-S177 PolarHBondContact O-N 3.3Å; A174-S177 PolarHBondContact O-OG 3.29Å; R175-S177 PolarHBondContact O-N 3.32Å; R175-S177 VanDerWaalsContact O-N 3.14Å; S177-R179 PolarHBondContact O-N 3.24Å; S177-R179 PolarHBondContact OG-NE 3.03Å
178	E	92.7	Very high	90.8	Very high	11 Å²	11	24 Å²	24	5%	0.051	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	118.9	171.9	-60.1	-174.9	168.6	0	0	109.6	R106 Y171 F172 V428 L429 R431 R693	R106-E178 VanDerWaalsContact CD-OE1 3.3Å; R106-E178 WeakPolarHBondContact CD-OE1 3.34Å; R106-E178 IonicContact CZ-OE1 3.36Å; R106-E178 IonicContact NE-OE1 3.61Å; R106-E178 PolarHBondContact NE-OE1 3.01Å; R106-E178 IonicContact NH2-OE1 2.66Å; Y171-E178 HydrophobicContact CD2-CB 3.87Å; Y171-E178 HydrophobicContact CD2-CG 4.11Å; Y171-E178 HydrophobicContact CE2-CB 3.9Å; Y171-E178 VanDerWaalsContact CE2-CD 3.48Å; Y171-E178 HydrophobicContact CE2-CG 3.61Å; Y171-E178 PolarHBondContact OH-OE1 2.94Å; F172-E178 CarbonylContact O-C 3.58Å; F172-E178 WeakPolarHBondContact O-CA 3.29Å; E178-V428 WeakPolarHBondContact O-CA 3.35Å; E178-L429 HydrophobicContact CB-CB 4.05Å; E178-L429 PolarHBondContact O-N 3.26Å; E178-R431 IonicContact OE1-NH2 2.65Å; E178-R431 IonicContact OE2-CZ 3.63Å; E178-R431 IonicContact OE2-NE 3.65Å; E178-R431 PolarHBondContact OE2-NE 3.4Å; E178-R431 IonicContact OE2-NH2 3.06Å; E178-R431 PolarHBondContact OE2-NH2 3.19Å; E178-R693 IonicContact OE1-CZ 3.36Å; E178-R693 VanDerWaalsContact OE1-CZ 3.26Å; E178-R693 IonicContact OE1-NH1 3.48Å; E178-R693 PolarHBondContact OE1-NH1 3.46Å; E178-R693 IonicContact OE1-NH2 2.96Å; E178-R693 PolarHBondContact OE1-NH2 3.48Å; E178-R693 IonicContact OE2-NH2 3.55Å
179	R	91.9	Very high	90.3	Very high	74 Å²	74	28 Å²	28	28%	0.279	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	132.6	-177.6	-63.6	-168.7	178.8	-160.5	-0.3	111.3	F172 S177 T410 Q427	F172-R179 PolarHBondContact N-O 3.41Å; F172-R179 PolarHBondContact O-N 3.28Å; S177-R179 PolarHBondContact O-N 3.24Å; S177-R179 PolarHBondContact OG-NE 3.03Å; R179-T410 PolarHBondContact NH1-O 2.83Å; R179-Q427 CarbonylContact C-O 3.54Å; R179-Q427 WeakPolarHBondContact CA-O 3.28Å
180	V	92.6	Very high	89.9	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	139.2	175.3	-170.1	0	0	0	0	108.8	L182 T426 Q427 L429 M440 M441	V180-L182 HydrophobicContact CG1-CD2 4.46Å; V180-T426 WeakPolarHBondContact O-CA 3.42Å; V180-Q427 PolarHBondContact N-O 3.32Å; V180-Q427 PolarHBondContact O-N 3.09Å; V180-L429 HydrophobicContact CG2-CB 3.86Å; V180-L429 HydrophobicContact CG2-CD1 3.61Å; V180-L429 HydrophobicContact CG2-CG 4.22Å; V180-M440 HydrophobicContact CB-CE 4.5Å; V180-M441 HydrophobicContact CB-SD 4.48Å; V180-M441 HydrophobicContact CG1-CE 3.99Å; V180-M441 HydrophobicContact CG1-SD 3.81Å; V180-M441 HydrophobicContact CG2-SD 3.77Å
181	I	91.7	Very high	89.4	Confident	8 Å²	8	32.9 Å²	32.9	4%	0.041	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	115.6	165.4	-64.8	177	0	0	0	107	H50 F172 A358 L361 I362 W413 V425 T426	H50-I181 PolarHBondContact CE1-O 3.41Å; F172-I181 HydrophobicContact CD2-CD1 4.24Å; F172-I181 HydrophobicContact CD2-CG1 4.33Å; F172-I181 HydrophobicContact CE2-CD1 3.65Å; F172-I181 HydrophobicContact CE2-CG1 4.08Å; F172-I181 HydrophobicContact CZ-CD1 4.36Å; I181-A358 HydrophobicContact CB-CB 3.91Å; I181-A358 HydrophobicContact CD1-CB 4.17Å; I181-A358 HydrophobicContact CG2-CB 4.01Å; I181-L361 HydrophobicContact CG2-CD1 3.63Å; I181-I362 HydrophobicContact CD1-CD1 3.81Å; I181-I362 HydrophobicContact CD1-CG1 3.9Å; I181-W413 HydrophobicContact CD1-CH2 4.41Å; I181-W413 HydrophobicContact CD1-CZ2 4.02Å; I181-V425 HydrophobicContact CG2-CG1 3.87Å; I181-T426 HydrophobicContact CG1-CG2 4.09Å
182	L	90.9	Very high	89.1	Confident	2 Å²	2	33.3 Å²	33.3	1%	0.01	16%	0.157	C	C	.	.			trans	-74.3	142.3	177.8	-63.2	-173.8	0	0	0	110.7	V180 Q184 V425 Q427 M440 R443 N445	V180-L182 HydrophobicContact CG1-CD2 4.46Å; L182-Q184 PolarHBondContact O-N 2.71Å; L182-Q184 PolarHBondContact O-NE2 3.18Å; L182-V425 PolarHBondContact N-O 2.98Å; L182-Q427 VanDerWaalsContact CD1-CD 3.42Å; L182-Q427 HydrophobicContact CD1-CG 4.2Å; L182-Q427 VanDerWaalsContact CD1-NE2 3.3Å; L182-M440 HydrophobicContact CD2-CE 4.45Å; L182-M440 HydrophobicContact CD2-CG 4.43Å; L182-R443 HydrophobicContact CD2-CB 4.32Å; L182-N445 HydrophobicContact CD1-CB 4.44Å
183	I	93.6	Very high	88.8	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	130.7	174.7	-54.4	175.8	0	0	0	108.7	H50 L355 L357 I444 N445 L485 I491	H50-I183 VanDerWaalsContact CE1-CG1 3.49Å; H50-I183 WeakPolarHBondContact CE1-CG1 3.32Å; I183-L355 HydrophobicContact CG2-CB 3.71Å; I183-L355 HydrophobicContact CG2-CD1 4.07Å; I183-L355 HydrophobicContact CG2-CD2 4.26Å; I183-L355 HydrophobicContact CG2-CG 4.23Å; I183-L357 HydrophobicContact CD1-CD2 3.95Å; I183-L357 HydrophobicContact CG1-CD2 3.9Å; I183-L357 HydrophobicContact CG2-CD2 4.09Å; I183-I444 HydrophobicContact CB-CG1 4.24Å; I183-I444 HydrophobicContact CD1-CG1 4.45Å; I183-I444 HydrophobicContact CG2-CG1 4.28Å; I183-I444 HydrophobicContact CG2-CG2 4.44Å; I183-N445 PolarHBondContact O-N 2.99Å; I183-L485 HydrophobicContact CD1-CD1 3.95Å; I183-I491 HydrophobicContact CD1-CD1 3.98Å
184	Q	90.9	Very high	88.6	Confident	14 Å²	14	33.7 Å²	33.7	7%	0.065	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.2	-179.2	-59	-58.7	-53.3	0	0	110.8	L182 L355 E356 L361 N445	L182-Q184 PolarHBondContact O-N 2.71Å; L182-Q184 PolarHBondContact O-NE2 3.18Å; Q184-L355 WeakPolarHBondContact O-CA 3.44Å; Q184-E356 HydrophobicContact CB-CB 4.48Å; Q184-E356 PolarHBondContact N-O 2.88Å; Q184-E356 PolarHBondContact O-N 2.87Å; Q184-L361 HydrophobicContact CG-CD1 4.16Å; Q184-N445 PolarHBondContact OE1-ND2 3.35Å
185	E	91.3	Very high	88.4	Confident	8 Å²	8	33.9 Å²	33.9	4%	0.037	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	129.5	173.1	-179.4	-172.5	148.8	0	0	110.4	K353 L355 I444 N445 K483	E185-K353 HydrophobicContact CG-CB 4.45Å; E185-K353 HydrophobicContact CG-CD 4.02Å; E185-K353 WeakPolarHBondContact OE1-CD 3.48Å; E185-K353 WeakPolarHBondContact OE1-CE 3.5Å; E185-K353 IonicContact OE1-NZ 3.41Å; E185-K353 PolarHBondContact OE1-NZ 3.26Å; E185-L355 HydrophobicContact CB-CD2 4.03Å; E185-L355 HydrophobicContact CG-CD2 4.37Å; E185-I444 HydrophobicContact CB-CG2 4.05Å; E185-N445 PolarHBondContact N-O 3.29Å; E185-K483 IonicContact OE1-NZ 2.63Å; E185-K483 PolarHBondContact OE1-NZ 3.38Å; E185-K483 WeakPolarHBondContact OE2-CE 3.48Å; E185-K483 IonicContact OE2-NZ 2.83Å; E185-K483 PolarHBondContact OE2-NZ 3.42Å
186	Q	87.6	Confident	88.3	Confident	20 Å²	20	31.3 Å²	31.3	9%	0.093	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	161.2	173.1	-64.7	-155.7	-0.8	0	0	111.5	K353 R354 E356 R422	Q186-K353 CarbonylContact O-C 3.59Å; Q186-K353 WeakPolarHBondContact O-CA 3.24Å; Q186-R354 PolarHBondContact N-O 3.37Å; Q186-R354 PolarHBondContact O-N 3.27Å; Q186-E356 HydrophobicContact CG-CG 4.36Å; Q186-E356 PolarHBondContact NE2-OE1 2.88Å; Q186-E356 VanDerWaalsContact NE2-OE1 3.17Å; Q186-E356 PolarHBondContact NE2-OE2 3.27Å; Q186-E356 PolarHBondContact OE1-OE1 3.17Å; Q186-E356 VanDerWaalsContact OE1-OE1 3.04Å; Q186-R422 VanDerWaalsContact NE2-CZ 3.29Å
187	L	87.5	Confident	88	Confident	80 Å²	80	33.3 Å²	33.3	42%	0.419	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	147.9	163.9	-65.1	171.2	0	0	0	109.7	K189 P347 K353	L187-K189 PolarHBondContact O-N 3.1Å; L187-P347 HydrophobicContact CD2-CB 4.15Å; L187-P347 WeakPolarHBondContact CD2-O 3.12Å; L187-K353 HydrophobicContact CD2-CG 4.29Å
188	S	85.8	Confident	87.5	Confident	16 Å²	16	38.4 Å²	38.4	11%	0.112	19%	0.191	C	C	.	.			trans	-60.3	134.7	174	-177.8	0	0	0	0	110.3	N352	S188-N352 WeakPolarHBondContact CB-O 3.11Å; S188-N352 PolarHBondContact N-O 2.85Å
189	K	78.4	Confident	87	Confident	104 Å²	104	42 Å²	42	45%	0.452	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-38.3	-171.7	-73.1	174.7	-170.8	157.3	0	111.6	L187 L207 E356	L187-K189 PolarHBondContact O-N 3.1Å; K189-L207 HydrophobicContact CB-CD2 3.73Å; K189-L207 VanDerWaalsContact O-CA 3.24Å; K189-L207 WeakPolarHBondContact O-CA 3.38Å; K189-L207 WeakPolarHBondContact O-CG 3.36Å; K189-L207 PolarHBondContact O-N 3.45Å; K189-E356 IonicContact NZ-OE1 2.63Å; K189-E356 PolarHBondContact NZ-OE1 3.01Å
190	N	81.6	Confident	86.5	Confident	52 Å²	52	40 Å²	40	28%	0.278	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	31.5	-171.5	-64.2	-7	0	0	0	114.2	L207 P312 N531 G532	N190-L207 VanDerWaalsContact OD1-CD1 3.27Å; N190-L207 WeakPolarHBondContact OD1-CD1 3.37Å; N190-L207 WeakPolarHBondContact OD1-CD2 3.41Å; N190-L207 WeakPolarHBondContact OD1-CG 3.31Å; N190-P312 HydrophobicContact CB-CB 4.46Å; N190-P312 HydrophobicContact CB-CG 4.47Å; N190-N531 WeakPolarHBondContact CB-O 3.31Å; N190-N531 PolarHBondContact ND2-O 3.42Å; N190-G532 WeakPolarHBondContact O-CA 3.35Å
191	R	83.7	Confident	85.7	Confident	53 Å²	53	43.8 Å²	43.8	20%	0.2	24%	0.238	C	C	.	.			trans	-112.9	136.7	179.1	-164.7	168.3	-178	159.6	-0.5	109.9	L193 E205 G351 N352 N625	R191-L193 HydrophobicContact CG-CD2 4.26Å; R191-L193 PolarHBondContact O-N 2.88Å; R191-E205 VanDerWaalsContact O-O 3.11Å; R191-G351 PolarHBondContact NH1-O 3.07Å; R191-N352 VanDerWaalsContact CD-OD1 3.31Å; R191-N352 WeakPolarHBondContact CD-OD1 3.39Å; R191-N352 PolarHBondContact NE-OD1 2.8Å; R191-N352 PolarHBondContact NH1-OD1 3.33Å; R191-N625 PolarHBondContact NH1-OD1 2.9Å
192	M	87.2	Confident	85.4	Confident	8 Å²	8	43.6 Å²	43.6	4%	0.039	24%	0.237	C	C	.	.			trans	-70	116.3	166.9	-63.8	175.5	-166.2	0	0	107.7	V206 Y326 L329 M330 R333 F529	M192-V206 HydrophobicContact CB-CG2 4.13Å; M192-V206 HydrophobicContact CG-CG2 3.69Å; M192-Y326 HydrophobicContact CE-CD1 3.78Å; M192-Y326 HydrophobicContact CE-CD2 3.63Å; M192-Y326 HydrophobicContact CE-CE1 3.5Å; M192-Y326 VanDerWaalsContact CE-CE1 3.5Å; M192-Y326 HydrophobicContact CE-CE2 3.3Å; M192-Y326 HydrophobicContact CE-CG 3.85Å; M192-Y326 HydrophobicContact CG-CE1 4.23Å; M192-Y326 WeakPolarHBondContact CG-OH 3.26Å; M192-L329 HydrophobicContact CE-CB 4Å; M192-M330 HydrophobicContact CE-CG 3.93Å; M192-M330 HydrophobicContact CG-CG 4.07Å; M192-M330 HydrophobicContact SD-CG 3.9Å; M192-R333 PolarHBondContact O-NH1 3.5Å; M192-F529 HydrophobicContact CE-CE1 4.26Å; M192-F529 HydrophobicContact CE-CZ 4.47Å
193	L	87.7	Confident	85.1	Confident	24 Å²	24	45.2 Å²	45.2	13%	0.126	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.3	174.4	-65.1	176	0	0	0	109.2	R191 C204 E205 D345 N352	R191-L193 HydrophobicContact CG-CD2 4.26Å; R191-L193 PolarHBondContact O-N 2.88Å; L193-C204 CarbonylContact O-C 3.47Å; L193-C204 VanDerWaalsContact O-CA 3.32Å; L193-C204 WeakPolarHBondContact O-CA 3.4Å; L193-E205 PolarHBondContact N-O 3.45Å; L193-E205 PolarHBondContact O-N 3.46Å; L193-D345 WeakPolarHBondContact CA-OD2 3.46Å; L193-D345 HydrophobicContact CD2-CB 4.2Å; L193-N352 HydrophobicContact CD2-CB 4.27Å
194	V	89.2	Confident	84.6	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	114.1	177.3	-171.8	0	0	0	0	110.2	F203 C204 R333 T337 Y344 D345	V194-F203 CarbonylContact C-O 3.58Å; V194-F203 VanDerWaalsContact CA-O 3.28Å; V194-F203 WeakPolarHBondContact CA-O 3.32Å; V194-C204 HydrophobicContact CG2-CB 4.35Å; V194-R333 HydrophobicContact CG2-CB 3.97Å; V194-T337 HydrophobicContact CB-CG2 4.23Å; V194-T337 HydrophobicContact CG1-CG2 3.83Å; V194-T337 WeakPolarHBondContact CG1-OG1 3.23Å; V194-Y344 HydrophobicContact CG1-CD1 4.28Å; V194-D345 PolarHBondContact N-OD2 2.9Å; V194-D345 PolarHBondContact O-N 3.28Å
195	G	87	Confident	84	Confident	15 Å²	15	48 Å²	48	16%	0.155	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	-176.8	178.6	0	0	0	0	0	112.6	P202 F203	G195-P202 CarbonylContact O-C 3.49Å; G195-P202 WeakPolarHBondContact O-CA 3.3Å; G195-F203 PolarHBondContact N-O 3.08Å; G195-F203 PolarHBondContact O-N 3.36Å
196	K	85.2	Confident	83.1	Confident	118 Å²	118	47.9 Å²	47.9	51%	0.513	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	130.6	178.4	-168.5	175.5	-177.9	159.6	0	110.1	G200 Y344	K196-G200 VanDerWaalsContact CE-CA 3.4Å; K196-G200 WeakPolarHBondContact CE-O 3.4Å; K196-Y344 HydrophobicContact CB-CD1 4.18Å; K196-Y344 HydrophobicContact CB-CE1 3.83Å; K196-Y344 HydrophobicContact CB-CE2 4.49Å; K196-Y344 HydrophobicContact CD-CE2 4.02Å; K196-Y344 HydrophobicContact CG-CE1 4.39Å
197	Y	80.3	Confident	81.8	Confident	58 Å²	58	49.8 Å²	49.8	23%	0.227	27%	0.268	C	S	.	.			trans	-70.7	159.4	172	-78.9	-70.6	0	0	0	111.3	S199 G200 E201 F203 C210 K212	Y197-S199 WeakPolarHBondContact CB-OG 3.32Å; Y197-S199 PolarHBondContact O-N 3.39Å; Y197-S199 VanDerWaalsContact O-N 3.13Å; Y197-G200 PolarHBondContact O-N 2.96Å; Y197-E201 HydrophobicContact CD2-CB 4.4Å; Y197-E201 PolarHBondContact N-O 2.91Å; Y197-F203 HydrophobicContact CD1-CD1 4.29Å; Y197-F203 HydrophobicContact CD1-CE1 4.37Å; Y197-F203 HydrophobicContact CD2-CB 4.04Å; Y197-F203 AromaticContact CD2-CD1 3.5Å; Y197-F203 HydrophobicContact CD2-CD1 3.5Å; Y197-F203 HydrophobicContact CD2-CE1 4.33Å; Y197-F203 HydrophobicContact CD2-CG 4.11Å; Y197-F203 HydrophobicContact CE1-CD1 4.34Å; Y197-F203 HydrophobicContact CE1-CE1 4.48Å; Y197-F203 HydrophobicContact CE2-CB 3.52Å; Y197-F203 AromaticContact CE2-CD1 3.53Å; Y197-F203 HydrophobicContact CE2-CD1 3.53Å; Y197-F203 HydrophobicContact CE2-CE1 4.42Å; Y197-F203 AromaticContact CE2-CG 3.71Å; Y197-F203 HydrophobicContact CE2-CG 3.71Å; Y197-F203 AromaticContact CG-CD1 3.9Å; Y197-F203 HydrophobicContact CG-CD1 3.9Å; Y197-F203 HydrophobicContact CG-CE1 4.29Å; Y197-F203 AromaticContact CZ-CD1 3.97Å; Y197-C210 PolarHBondContact OH-SG 3.13Å; Y197-K212 HydrophobicContact CE2-CB 4.31Å; Y197-K212 HydrophobicContact CE2-CD 4.5Å; Y197-K212 HydrophobicContact CE2-CG 3.84Å; Y197-K212 VanDerWaalsContact OH-CE 3.26Å; Y197-K212 WeakPolarHBondContact OH-CE 3.35Å; Y197-K212 WeakPolarHBondContact OH-CG 3.49Å
198	P	80.9	Confident	80	Confident	141 Å²	141	52.1 Å²	52.1	92%	0.916	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-24.3	169.9	-24.5	34.6	0	0	0	113.8	G200	P198-G200 PolarHBondContact O-N 3.27Å
199	S	81.8	Confident	78.1	Confident	85 Å²	85	53.3 Å²	53.3	59%	0.594	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-19.5	173.2	53.4	0	0	0	0	113.5	Y197 E201	Y197-S199 WeakPolarHBondContact CB-OG 3.32Å; Y197-S199 PolarHBondContact O-N 3.39Å; Y197-S199 VanDerWaalsContact O-N 3.13Å; S199-E201 PolarHBondContact OG-OE2 3.46Å
200	G	80.7	Confident	76.2	Confident	33 Å²	33	48.9 Å²	48.9	34%	0.34	26%	0.257	S	S	.	.	S	Bend	trans	101.5	-8.4	-174.9	0	0	0	0	0	114.5	K196 Y197 P198	K196-G200 VanDerWaalsContact CE-CA 3.4Å; K196-G200 WeakPolarHBondContact CE-O 3.4Å; Y197-G200 PolarHBondContact O-N 2.96Å; P198-G200 PolarHBondContact O-N 3.27Å
201	E	77.7	Confident	74.4	Confident	79 Å²	79	46.9 Å²	46.9	37%	0.369	25%	0.246	S	C	.	.			trans	-76.5	132.1	-178.2	-68.7	168	144.4	0	0	111.4	Y197 S199 N213	Y197-E201 HydrophobicContact CD2-CB 4.4Å; Y197-E201 PolarHBondContact N-O 2.91Å; S199-E201 PolarHBondContact OG-OE2 3.46Å; E201-N213 VanDerWaalsContact CB-OD1 3.27Å; E201-N213 WeakPolarHBondContact CB-OD1 3.3Å; E201-N213 VanDerWaalsContact CG-OD1 3.29Å; E201-N213 WeakPolarHBondContact CG-OD1 2.95Å; E201-N213 PolarHBondContact OE1-ND2 3.19Å
202	P	84.3	Confident	72.5	Confident	5 Å²	5	48.1 Å²	48.1	3%	0.032	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	149	175.3	31.9	-33	0	0	0	111	G195 I334 E338 Y344	G195-P202 CarbonylContact O-C 3.49Å; G195-P202 WeakPolarHBondContact O-CA 3.3Å; P202-I334 HydrophobicContact CB-CG2 4.26Å; P202-I334 HydrophobicContact CG-CG2 3.96Å; P202-E338 WeakPolarHBondContact CD-OE1 3.49Å; P202-E338 HydrophobicContact CG-CG 3.64Å; P202-E338 WeakPolarHBondContact CG-OE1 3.47Å; P202-Y344 HydrophobicContact CB-CE1 3.97Å
203	F	84	Confident	70.7	Confident	35 Å²	35	50.2 Å²	50.2	15%	0.154	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	147.1	175.3	69.3	-93.6	0	0	0	111.1	V194 G195 Y197 E205 C210 W211	V194-F203 CarbonylContact C-O 3.58Å; V194-F203 VanDerWaalsContact CA-O 3.28Å; V194-F203 WeakPolarHBondContact CA-O 3.32Å; G195-F203 PolarHBondContact N-O 3.08Å; G195-F203 PolarHBondContact O-N 3.36Å; Y197-F203 HydrophobicContact CD1-CD1 4.29Å; Y197-F203 HydrophobicContact CD1-CE1 4.37Å; Y197-F203 HydrophobicContact CD2-CB 4.04Å; Y197-F203 AromaticContact CD2-CD1 3.5Å; Y197-F203 HydrophobicContact CD2-CD1 3.5Å; Y197-F203 HydrophobicContact CD2-CE1 4.33Å; Y197-F203 HydrophobicContact CD2-CG 4.11Å; Y197-F203 HydrophobicContact CE1-CD1 4.34Å; Y197-F203 HydrophobicContact CE1-CE1 4.48Å; Y197-F203 HydrophobicContact CE2-CB 3.52Å; Y197-F203 AromaticContact CE2-CD1 3.53Å; Y197-F203 HydrophobicContact CE2-CD1 3.53Å; Y197-F203 HydrophobicContact CE2-CE1 4.42Å; Y197-F203 AromaticContact CE2-CG 3.71Å; Y197-F203 HydrophobicContact CE2-CG 3.71Å; Y197-F203 AromaticContact CG-CD1 3.9Å; Y197-F203 HydrophobicContact CG-CD1 3.9Å; Y197-F203 HydrophobicContact CG-CE1 4.29Å; Y197-F203 AromaticContact CZ-CD1 3.97Å; F203-E205 HydrophobicContact CD2-CB 4.33Å; F203-E205 HydrophobicContact CE2-CB 4.24Å; F203-C210 VanDerWaalsContact CD2-SG 3.55Å; F203-W211 WeakPolarHBondContact CA-O 3.44Å; F203-W211 WeakPolarHBondContact CB-O 3.44Å
204	C	83.6	Confident	69	Low	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	135.9	165.9	-169	0	0	0	0	109.2	L193 V194 W211 M330 I334	L193-C204 CarbonylContact O-C 3.47Å; L193-C204 VanDerWaalsContact O-CA 3.32Å; L193-C204 WeakPolarHBondContact O-CA 3.4Å; V194-C204 HydrophobicContact CG2-CB 4.35Å; C204-W211 HydrophobicContact CB-CB 4.41Å; C204-W211 PolarHBondContact N-O 3.27Å; C204-W211 WeakPolarHBondContact O-CB 3.44Å; C204-W211 PolarHBondContact O-N 3.2Å; C204-M330 HydrophobicContact CB-CE 4.04Å; C204-I334 HydrophobicContact CB-CD1 3.72Å; C204-I334 HydrophobicContact CB-CG1 3.77Å
205	E	77.5	Confident	67.1	Low	72 Å²	72	57.4 Å²	57.4	34%	0.336	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.3	174.3	-169.3	178.6	171.9	0	0	110.9	R191 L193 F203 R208 Q209	R191-E205 VanDerWaalsContact O-O 3.11Å; L193-E205 PolarHBondContact N-O 3.45Å; L193-E205 PolarHBondContact O-N 3.46Å; F203-E205 HydrophobicContact CD2-CB 4.33Å; F203-E205 HydrophobicContact CE2-CB 4.24Å; E205-R208 WeakPolarHBondContact OE1-CA 3.34Å; E205-Q209 WeakPolarHBondContact CA-O 3.46Å; E205-Q209 WeakPolarHBondContact CG-O 3.38Å
206	V	73.4	Confident	65.3	Low	6 Å²	6	58.3 Å²	58.3	4%	0.036	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	130.3	171	178	0	0	0	0	108	M192 R208 Q209 P312 Y326 M330	M192-V206 HydrophobicContact CB-CG2 4.13Å; M192-V206 HydrophobicContact CG-CG2 3.69Å; V206-R208 PolarHBondContact O-N 3.45Å; V206-R208 VanDerWaalsContact O-N 3.07Å; V206-Q209 PolarHBondContact N-O 2.98Å; V206-Q209 WeakPolarHBondContact O-CA 3.49Å; V206-Q209 WeakPolarHBondContact O-CB 3.46Å; V206-Q209 PolarHBondContact O-N 2.75Å; V206-P312 HydrophobicContact CG1-CG 4.22Å; V206-Y326 HydrophobicContact CG1-CE1 4.28Å; V206-Y326 HydrophobicContact CG2-CE1 4.13Å; V206-M330 HydrophobicContact CB-CE 4.25Å; V206-M330 HydrophobicContact CG2-CE 3.57Å; V206-M330 HydrophobicContact CG2-SD 4.04Å
207	L	60.3	Low	63.7	Low	61 Å²	61	52.8 Å²	52.8	32%	0.319	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	33.9	173.2	-83.4	168.9	0	0	0	115.5	K189 N190 Q209 N310	K189-L207 HydrophobicContact CB-CD2 3.73Å; K189-L207 VanDerWaalsContact O-CA 3.24Å; K189-L207 WeakPolarHBondContact O-CA 3.38Å; K189-L207 WeakPolarHBondContact O-CG 3.36Å; K189-L207 PolarHBondContact O-N 3.45Å; N190-L207 VanDerWaalsContact OD1-CD1 3.27Å; N190-L207 WeakPolarHBondContact OD1-CD1 3.37Å; N190-L207 WeakPolarHBondContact OD1-CD2 3.41Å; N190-L207 WeakPolarHBondContact OD1-CG 3.31Å; L207-Q209 VanDerWaalsContact C-N 3.26Å; L207-Q209 PolarHBondContact O-N 3.25Å; L207-N310 WeakPolarHBondContact CD1-O 3.29Å
208	R	48.9	Very low	62.2	Low	129 Å²	129	50.9 Å²	50.9	49%	0.487	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	13.4	-172.4	-51.8	178.7	175.7	175.6	-0.8	115.7	E205 V206	E205-R208 WeakPolarHBondContact OE1-CA 3.34Å; V206-R208 PolarHBondContact O-N 3.45Å; V206-R208 VanDerWaalsContact O-N 3.07Å
209	Q	46.7	Very low	60.8	Low	40 Å²	40	44.8 Å²	44.8	19%	0.187	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	121.1	165.7	-58.8	-178.3	13.6	0	0	107.9	E205 V206 L207	E205-Q209 WeakPolarHBondContact CA-O 3.46Å; E205-Q209 WeakPolarHBondContact CG-O 3.38Å; V206-Q209 PolarHBondContact N-O 2.98Å; V206-Q209 WeakPolarHBondContact O-CA 3.49Å; V206-Q209 WeakPolarHBondContact O-CB 3.46Å; V206-Q209 PolarHBondContact O-N 2.75Å; L207-Q209 VanDerWaalsContact C-N 3.26Å; L207-Q209 PolarHBondContact O-N 3.25Å
210	C	37.8	Very low	59.4	Low	12 Å²	12	43.6 Å²	43.6	8%	0.081	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	140.3	-175.5	-169.8	0	0	0	0	110.1	Y197 F203 V220	Y197-C210 PolarHBondContact OH-SG 3.13Å; F203-C210 VanDerWaalsContact CD2-SG 3.55Å; C210-V220 HydrophobicContact CB-CG2 3.83Å
211	W	44.9	Very low	58.4	Low	10 Å²	10	46.6 Å²	46.6	4%	0.038	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	109.2	-176.4	-67.9	68.3	0	0	0	108.8	F203 C204 L217 I229 F311 M327 M330 I334	F203-W211 WeakPolarHBondContact CA-O 3.44Å; F203-W211 WeakPolarHBondContact CB-O 3.44Å; C204-W211 HydrophobicContact CB-CB 4.41Å; C204-W211 PolarHBondContact N-O 3.27Å; C204-W211 WeakPolarHBondContact O-CB 3.44Å; C204-W211 PolarHBondContact O-N 3.2Å; W211-L217 HydrophobicContact CD2-CD2 3.96Å; W211-L217 HydrophobicContact CD2-CG 4.3Å; W211-L217 HydrophobicContact CE3-CD1 4.16Å; W211-L217 HydrophobicContact CE3-CD2 3.64Å; W211-L217 HydrophobicContact CE3-CG 3.48Å; W211-L217 VanDerWaalsContact CE3-CG 3.48Å; W211-L217 HydrophobicContact CH2-CD1 3.44Å; W211-L217 VanDerWaalsContact CH2-CD1 3.44Å; W211-L217 HydrophobicContact CH2-CD2 3.24Å; W211-L217 HydrophobicContact CH2-CG 3.46Å; W211-L217 VanDerWaalsContact CH2-CG 3.46Å; W211-L217 HydrophobicContact CZ2-CD2 3.6Å; W211-L217 HydrophobicContact CZ2-CG 4.28Å; W211-L217 HydrophobicContact CZ3-CB 4.43Å; W211-L217 HydrophobicContact CZ3-CD1 3.22Å; W211-L217 HydrophobicContact CZ3-CD2 3.32Å; W211-L217 HydrophobicContact CZ3-CG 3.04Å; W211-I229 HydrophobicContact CZ3-CD1 3.91Å; W211-F311 HydrophobicContact CZ2-CE1 4.02Å; W211-F311 HydrophobicContact CZ2-CZ 4.01Å; W211-M327 HydrophobicContact CH2-CE 3.81Å; W211-M327 HydrophobicContact CH2-CG 3.5Å; W211-M327 VanDerWaalsContact CH2-CG 3.5Å; W211-M327 HydrophobicContact CH2-SD 3.7Å; W211-M327 HydrophobicContact CZ2-CE 4.48Å; W211-M327 HydrophobicContact CZ2-CG 4.41Å; W211-M327 HydrophobicContact CZ3-CG 3.95Å; W211-M327 HydrophobicContact CZ3-SD 4.23Å; W211-M330 HydrophobicContact CD2-CE 4.1Å; W211-M330 HydrophobicContact CG-CE 3.94Å; W211-M330 HydrophobicContact CZ2-CE 4.36Å; W211-M330 HydrophobicContact CZ2-SD 4.13Å; W211-I334 HydrophobicContact CB-CD1 4.26Å
212	K	43.9	Very low	57.9	Low	79 Å²	79	45 Å²	45	34%	0.343	22%	0.22	S	C	.	.			trans	-85	-21.2	-161.7	-75	-167.1	164.8	-174.9	0	116.6	Y197 T218	Y197-K212 HydrophobicContact CE2-CB 4.31Å; Y197-K212 HydrophobicContact CE2-CD 4.5Å; Y197-K212 HydrophobicContact CE2-CG 3.84Å; Y197-K212 VanDerWaalsContact OH-CE 3.26Å; Y197-K212 WeakPolarHBondContact OH-CE 3.35Å; Y197-K212 WeakPolarHBondContact OH-CG 3.49Å; K212-T218 WeakPolarHBondContact CB-OG1 3.42Å; K212-T218 HydrophobicContact CD-CG2 4.4Å
213	N	49.4	Very low	57.3	Low	51 Å²	51	45.4 Å²	45.4	27%	0.273	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-169.7	157.7	-177.4	-89.5	-37.7	0	0	0	110.9	E201 R215 C216	E201-N213 VanDerWaalsContact CB-OD1 3.27Å; E201-N213 WeakPolarHBondContact CB-OD1 3.3Å; E201-N213 VanDerWaalsContact CG-OD1 3.29Å; E201-N213 WeakPolarHBondContact CG-OD1 2.95Å; E201-N213 PolarHBondContact OE1-ND2 3.19Å; N213-R215 PolarHBondContact O-N 3.19Å; N213-R215 VanDerWaalsContact O-N 3.09Å; N213-C216 PolarHBondContact O-N 3.21Å
214	L	51.2	Low	56.7	Low	25 Å²	25	50.6 Å²	50.6	13%	0.131	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-21.6	173.6	-74.7	165.1	0	0	0	114.9	H257 I334 I335 E338	L214-H257 HydrophobicContact CD1-CB 3.97Å; L214-H257 VanDerWaalsContact CD1-CD2 3.41Å; L214-H257 WeakPolarHBondContact CD1-CD2 3.35Å; L214-H257 HydrophobicContact CD2-CB 4.32Å; L214-I334 HydrophobicContact CD2-CB 4.41Å; L214-I334 HydrophobicContact CD2-CG2 3.84Å; L214-I334 HydrophobicContact CG-CG2 3.95Å; L214-I335 HydrophobicContact CD2-CD1 4.1Å; L214-I335 HydrophobicContact CD2-CG1 3.32Å; L214-E338 HydrophobicContact CD1-CG 4.33Å; L214-E338 WeakPolarHBondContact CD1-OE1 3.35Å; L214-E338 WeakPolarHBondContact CD1-OE2 3.3Å
215	R	49.1	Very low	56.3	Low	152 Å²	152	57.1 Å²	57.1	57%	0.574	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-32	-178.6	-62.5	-176.2	-177.7	-177.1	0.2	113.3	N213	N213-R215 PolarHBondContact O-N 3.19Å; N213-R215 VanDerWaalsContact O-N 3.09Å
216	C	49.1	Very low	56.3	Low	33 Å²	33	57.1 Å²	57.1	22%	0.223	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-152.3	131.1	-160.5	-93.8	0	0	0	0	112.4	N213 T218 D226	N213-C216 PolarHBondContact O-N 3.21Å; C216-T218 PolarHBondContact O-N 2.98Å; C216-D226 HydrophobicContact CB-CB 3.78Å
217	L	52.4	Low	56.7	Low	2 Å²	2	56.8 Å²	56.8	1%	0.01	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-87	103.5	178.7	-131.2	159.9	0	0	0	108.6	W211 C219 D226 I227 I229 M232 M327	W211-L217 HydrophobicContact CD2-CD2 3.96Å; W211-L217 HydrophobicContact CD2-CG 4.3Å; W211-L217 HydrophobicContact CE3-CD1 4.16Å; W211-L217 HydrophobicContact CE3-CD2 3.64Å; W211-L217 HydrophobicContact CE3-CG 3.48Å; W211-L217 VanDerWaalsContact CE3-CG 3.48Å; W211-L217 HydrophobicContact CH2-CD1 3.44Å; W211-L217 VanDerWaalsContact CH2-CD1 3.44Å; W211-L217 HydrophobicContact CH2-CD2 3.24Å; W211-L217 HydrophobicContact CH2-CG 3.46Å; W211-L217 VanDerWaalsContact CH2-CG 3.46Å; W211-L217 HydrophobicContact CZ2-CD2 3.6Å; W211-L217 HydrophobicContact CZ2-CG 4.28Å; W211-L217 HydrophobicContact CZ3-CB 4.43Å; W211-L217 HydrophobicContact CZ3-CD1 3.22Å; W211-L217 HydrophobicContact CZ3-CD2 3.32Å; W211-L217 HydrophobicContact CZ3-CG 3.04Å; L217-C219 VanDerWaalsContact CD2-SG 3.57Å; L217-D226 WeakPolarHBondContact O-CA 3.38Å; L217-I227 WeakPolarHBondContact CA-O 3.48Å; L217-I227 HydrophobicContact CB-CB 4.5Å; L217-I227 WeakPolarHBondContact CB-O 3.45Å; L217-I227 PolarHBondContact N-O 3.3Å; L217-I227 PolarHBondContact O-N 2.87Å; L217-I229 HydrophobicContact CD1-CB 4.13Å; L217-I229 HydrophobicContact CD1-CD1 4.37Å; L217-I229 HydrophobicContact CD1-CG1 3.95Å; L217-M232 HydrophobicContact CD1-CB 3.82Å; L217-M232 HydrophobicContact CD1-CG 3.55Å; L217-M327 HydrophobicContact CD1-SD 4.06Å
218	T	49	Very low	57.8	Low	18 Å²	18	54.2 Å²	54.2	11%	0.11	26%	0.26	C	S	.	.			trans	-99.9	85	172.7	-24.7	0	0	0	0	109.3	K212 C216 V220 D226	K212-T218 WeakPolarHBondContact CB-OG1 3.42Å; K212-T218 HydrophobicContact CD-CG2 4.4Å; C216-T218 PolarHBondContact O-N 2.98Å; T218-V220 VanDerWaalsContact C-N 3.3Å; T218-V220 HydrophobicContact CG2-CG2 4.43Å; T218-V220 VanDerWaalsContact O-CG2 3.25Å; T218-V220 WeakPolarHBondContact O-CG2 3.32Å; T218-V220 PolarHBondContact O-N 3.4Å; T218-D226 VanDerWaalsContact CG2-CG 3.48Å; T218-D226 WeakPolarHBondContact CG2-OD1 3.44Å; T218-D226 PolarHBondContact OG1-OD2 3.16Å
219	C	51.1	Low	59.4	Low	13 Å²	13	48.6 Å²	48.6	9%	0.088	24%	0.239	C	C	.	.			trans	-66.5	96.3	167.8	-54	0	0	0	0	108.4	L217 N221 S222 F223	L217-C219 VanDerWaalsContact CD2-SG 3.57Å; C219-N221 PolarHBondContact O-N 3.41Å; C219-S222 PolarHBondContact O-N 3.3Å; C219-F223 HydrophobicContact CB-CD2 3.68Å; C219-F223 HydrophobicContact CB-CE2 3.82Å
220	V	53.1	Low	61.4	Low	60 Å²	60	46.7 Å²	46.7	36%	0.364	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-10.3	-155	169	0	0	0	0	116.6	C210 T218	C210-V220 HydrophobicContact CB-CG2 3.83Å; T218-V220 VanDerWaalsContact C-N 3.3Å; T218-V220 HydrophobicContact CG2-CG2 4.43Å; T218-V220 VanDerWaalsContact O-CG2 3.25Å; T218-V220 WeakPolarHBondContact O-CG2 3.32Å; T218-V220 PolarHBondContact O-N 3.4Å
221	N	59.3	Low	63.8	Low	97 Å²	97	46.1 Å²	46.1	52%	0.519	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.9	-11.4	-178.4	-68.7	-45.2	0	0	0	116.3	C219	C219-N221 PolarHBondContact O-N 3.41Å
222	S	67.4	Low	65.7	Low	46 Å²	46	45.9 Å²	45.9	32%	0.322	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-10.4	-168.8	-56.4	0	0	0	0	114.8	C219 K285	C219-S222 PolarHBondContact O-N 3.3Å; S222-K285 VanDerWaalsContact O-CB 3.25Å; S222-K285 WeakPolarHBondContact O-CB 3.36Å; S222-K285 WeakPolarHBondContact O-CG 3.13Å; S222-K285 PolarHBondContact O-N 3.19Å
223	F	71.4	Confident	67.8	Low	12 Å²	12	42.1 Å²	42.1	5%	0.053	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-110.8	151.8	175.2	-65.1	-70.1	0	0	0	112.2	C219 K225 I227 M232 L280 R283 V284 K285 F305	C219-F223 HydrophobicContact CB-CD2 3.68Å; C219-F223 HydrophobicContact CB-CE2 3.82Å; F223-K225 WeakPolarHBondContact CB-O 3.44Å; F223-I227 HydrophobicContact CB-CD1 4.28Å; F223-I227 HydrophobicContact CD1-CD1 3.38Å; F223-I227 HydrophobicContact CD2-CD1 3.58Å; F223-I227 HydrophobicContact CE1-CD1 3.36Å; F223-I227 HydrophobicContact CE2-CD1 3.58Å; F223-I227 HydrophobicContact CG-CD1 3.48Å; F223-I227 VanDerWaalsContact CG-CD1 3.48Å; F223-I227 HydrophobicContact CZ-CD1 3.46Å; F223-I227 VanDerWaalsContact CZ-CD1 3.46Å; F223-M232 HydrophobicContact CE2-CE 3.66Å; F223-M232 HydrophobicContact CZ-CE 3.53Å; F223-L280 HydrophobicContact CE1-CD2 4.18Å; F223-L280 HydrophobicContact CZ-CD2 4.17Å; F223-R283 WeakPolarHBondContact CA-O 2.95Å; F223-R283 HydrophobicContact CD1-CB 4.08Å; F223-V284 HydrophobicContact CD1-CG2 4.13Å; F223-V284 HydrophobicContact CE1-CB 4.35Å; F223-V284 HydrophobicContact CE1-CG2 3.48Å; F223-V284 VanDerWaalsContact CE1-CG2 3.48Å; F223-V284 HydrophobicContact CZ-CG2 4.33Å; F223-K285 WeakPolarHBondContact O-CE 3.4Å; F223-K285 PolarHBondContact O-NZ 2.99Å; F223-F305 HydrophobicContact CD2-CZ 4.22Å; F223-F305 HydrophobicContact CE1-CD1 4.35Å; F223-F305 HydrophobicContact CE1-CE1 4.13Å; F223-F305 HydrophobicContact CE1-CZ 4.44Å; F223-F305 HydrophobicContact CE2-CD1 4.29Å; F223-F305 AromaticContact CE2-CE1 3.32Å; F223-F305 HydrophobicContact CE2-CE1 3.32Å; F223-F305 HydrophobicContact CE2-CE2 4.32Å; F223-F305 AromaticContact CE2-CZ 3.31Å; F223-F305 HydrophobicContact CE2-CZ 3.31Å; F223-F305 AromaticContact CZ-CD1 3.6Å; F223-F305 HydrophobicContact CZ-CD1 3.6Å; F223-F305 AromaticContact CZ-CE1 3.06Å; F223-F305 HydrophobicContact CZ-CE1 3.06Å; F223-F305 HydrophobicContact CZ-CE2 4.32Å; F223-F305 HydrophobicContact CZ-CG 4.4Å; F223-F305 AromaticContact CZ-CZ 3.46Å; F223-F305 HydrophobicContact CZ-CZ 3.46Å; F223-F305 VanDerWaalsContact CZ-CZ 3.46Å
224	F	71.5	Confident	69.8	Low	145 Å²	145	40 Å²	40	64%	0.636	20%	0.198	S	C	*	.	S	Bend	trans	-78	-30.4	171.5	-70.6	-75.4	0	0	0	113.3	R283 K285	F224-R283 VanDerWaalsContact CD2-O 3.29Å; F224-R283 WeakPolarHBondContact CD2-O 3.28Å; F224-R283 PolarHBondContact N-O 3.16Å; F224-K285 HydrophobicContact CD1-CD 4.38Å; F224-K285 HydrophobicContact CD1-CG 3.95Å; F224-K285 HydrophobicContact CD2-CG 3.75Å; F224-K285 HydrophobicContact CE1-CD 4.37Å; F224-K285 HydrophobicContact CE1-CG 3.79Å; F224-K285 HydrophobicContact CE2-CB 4.26Å; F224-K285 HydrophobicContact CE2-CG 3.58Å; F224-K285 HydrophobicContact CG-CG 3.93Å; F224-K285 HydrophobicContact CZ-CB 4.36Å; F224-K285 HydrophobicContact CZ-CG 3.61Å
225	K	75.3	Confident	71.5	Confident	137 Å²	137	38.8 Å²	38.8	60%	0.596	19%	0.191	S	C	*	.	S	Bend	trans	-140.2	155	-178	-67.5	-175.3	177.9	-177.4	0	109.2	F223	F223-K225 WeakPolarHBondContact CB-O 3.44Å
226	D	76.5	Confident	73.3	Confident	71 Å²	71	32 Å²	32	38%	0.38	17%	0.166	S	C	.	.			trans	-66.1	148.6	175.8	-53.2	14.5	0	0	0	109.7	C216 L217 T218	C216-D226 HydrophobicContact CB-CB 3.78Å; L217-D226 WeakPolarHBondContact O-CA 3.38Å; T218-D226 VanDerWaalsContact CG2-CG 3.48Å; T218-D226 WeakPolarHBondContact CG2-OD1 3.44Å; T218-D226 PolarHBondContact OG1-OD2 3.16Å
227	I	81.4	Confident	75.1	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-118.1	132.8	-174.4	-70.4	152.1	0	0	0	108.3	L217 F223 V231 M232 L280	L217-I227 WeakPolarHBondContact CA-O 3.48Å; L217-I227 HydrophobicContact CB-CB 4.5Å; L217-I227 WeakPolarHBondContact CB-O 3.45Å; L217-I227 PolarHBondContact N-O 3.3Å; L217-I227 PolarHBondContact O-N 2.87Å; F223-I227 HydrophobicContact CB-CD1 4.28Å; F223-I227 HydrophobicContact CD1-CD1 3.38Å; F223-I227 HydrophobicContact CD2-CD1 3.58Å; F223-I227 HydrophobicContact CE1-CD1 3.36Å; F223-I227 HydrophobicContact CE2-CD1 3.58Å; F223-I227 HydrophobicContact CG-CD1 3.48Å; F223-I227 VanDerWaalsContact CG-CD1 3.48Å; F223-I227 HydrophobicContact CZ-CD1 3.46Å; F223-I227 VanDerWaalsContact CZ-CD1 3.46Å; I227-V231 HydrophobicContact CG2-CB 4.02Å; I227-V231 HydrophobicContact CG2-CG1 4.1Å; I227-M232 HydrophobicContact CD1-CE 4.16Å; I227-M232 HydrophobicContact CG2-CG 4.12Å; I227-L280 HydrophobicContact CB-CD2 4.48Å; I227-L280 HydrophobicContact CD1-CD2 3.38Å; I227-L280 HydrophobicContact CG1-CD2 4.01Å; I227-L280 HydrophobicContact CG2-CD2 3.8Å
228	P	84.3	Confident	76.8	Confident	7 Å²	7	32.9 Å²	32.9	5%	0.045	18%	0.178	C	C	.	.			trans	-62.5	145.1	175.1	-21.1	32.1	0	0	0	111.3	C230 V231 E264	P228-C230 PolarHBondContact O-N 3.01Å; P228-V231 HydrophobicContact CB-CG2 4.07Å; P228-V231 HydrophobicContact CG-CG2 4.2Å; P228-V231 WeakPolarHBondContact O-CB 3.49Å; P228-V231 PolarHBondContact O-N 3.39Å; P228-V231 VanDerWaalsContact O-N 3.11Å; P228-E264 HydrophobicContact CB-CB 4.27Å; P228-E264 HydrophobicContact CG-CB 4.16Å
229	I	82.7	Confident	78.8	Confident	11 Å²	11	36.4 Å²	36.4	6%	0.056	19%	0.193	C	C	.	.	H	α-helix	trans	-66	-37.6	-171.6	-174.5	156	0	0	0	113.5	W211 L217 V231 M232 F233 M248 S261 M327 V331	W211-I229 HydrophobicContact CZ3-CD1 3.91Å; L217-I229 HydrophobicContact CD1-CB 4.13Å; L217-I229 HydrophobicContact CD1-CD1 4.37Å; L217-I229 HydrophobicContact CD1-CG1 3.95Å; I229-V231 PolarHBondContact O-N 3.23Å; I229-M232 WeakPolarHBondContact O-CA 3.19Å; I229-M232 WeakPolarHBondContact O-CB 3.42Å; I229-M232 PolarHBondContact O-N 3.49Å; I229-F233 HydrophobicContact CD1-CE2 4.03Å; I229-F233 HydrophobicContact CG1-CD2 3.84Å; I229-F233 HydrophobicContact CG1-CE2 3.67Å; I229-F233 WeakPolarHBondContact O-CD2 3.35Å; I229-F233 PolarHBondContact O-N 2.99Å; I229-F233 VanDerWaalsContact O-N 3.08Å; I229-M248 HydrophobicContact CG2-SD 4.25Å; I229-S261 WeakPolarHBondContact CG2-OG 3.33Å; I229-S261 PolarHBondContact N-OG 3.44Å; I229-S261 VanDerWaalsContact N-OG 3.09Å; I229-M327 HydrophobicContact CD1-CG 4.22Å; I229-M327 HydrophobicContact CD1-SD 4.35Å; I229-M327 HydrophobicContact CG1-SD 4.12Å; I229-V331 HydrophobicContact CD1-CB 4.37Å; I229-V331 HydrophobicContact CD1-CG2 2.98Å; I229-V331 HydrophobicContact CG1-CG2 4.39Å
230	C	87.7	Confident	80.7	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.6	-30.1	176.9	-57.8	0	0	0	0	111.9	P228 M232 F233 R234 M244 S261 L262	P228-C230 PolarHBondContact O-N 3.01Å; C230-M232 VanDerWaalsContact C-N 3.33Å; C230-M232 PolarHBondContact O-N 3.41Å; C230-F233 PolarHBondContact O-N 3.21Å; C230-R234 WeakPolarHBondContact O-CG 3.5Å; C230-R234 PolarHBondContact O-N 2.94Å; C230-M244 HydrophobicContact CB-SD 4.06Å; C230-S261 PolarHBondContact N-OG 3.28Å; C230-L262 HydrophobicContact CB-CD2 4Å; C230-L262 WeakPolarHBondContact SG-CD2 3.05Å; C230-L262 VanDerWaalsContact SG-CG 3.52Å
231	V	88	Confident	82.4	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-66.5	-36.7	174.2	178.1	0	0	0	0	111.2	I227 P228 I229 A235 I270 A276 Y279	I227-V231 HydrophobicContact CG2-CB 4.02Å; I227-V231 HydrophobicContact CG2-CG1 4.1Å; P228-V231 HydrophobicContact CB-CG2 4.07Å; P228-V231 HydrophobicContact CG-CG2 4.2Å; P228-V231 WeakPolarHBondContact O-CB 3.49Å; P228-V231 PolarHBondContact O-N 3.39Å; P228-V231 VanDerWaalsContact O-N 3.11Å; I229-V231 PolarHBondContact O-N 3.23Å; V231-A235 WeakPolarHBondContact O-CB 3.41Å; V231-A235 PolarHBondContact O-N 3.31Å; V231-I270 HydrophobicContact CB-CD1 4.43Å; V231-I270 HydrophobicContact CG1-CD1 3.94Å; V231-I270 HydrophobicContact CG1-CG2 4.32Å; V231-I270 HydrophobicContact CG2-CB 4.5Å; V231-I270 HydrophobicContact CG2-CD1 3.57Å; V231-I270 HydrophobicContact CG2-CG2 4.42Å; V231-A276 HydrophobicContact CG1-CB 4.18Å; V231-Y279 HydrophobicContact CG1-CD1 3.7Å; V231-Y279 HydrophobicContact CG1-CE1 4.18Å; V231-Y279 HydrophobicContact CG1-CG 4.45Å
232	M	85.7	Confident	83.9	Confident	5 Å²	5	39.8 Å²	39.8	3%	0.025	21%	0.209	C	C	.	.	H	α-helix	trans	-68.6	-42.7	174.3	-84.2	-56.1	-163.2	0	0	112.6	L217 F223 I227 I229 C230 R234 A235 M236 L280 F305 L306 M327	L217-M232 HydrophobicContact CD1-CB 3.82Å; L217-M232 HydrophobicContact CD1-CG 3.55Å; F223-M232 HydrophobicContact CE2-CE 3.66Å; F223-M232 HydrophobicContact CZ-CE 3.53Å; I227-M232 HydrophobicContact CD1-CE 4.16Å; I227-M232 HydrophobicContact CG2-CG 4.12Å; I229-M232 WeakPolarHBondContact O-CA 3.19Å; I229-M232 WeakPolarHBondContact O-CB 3.42Å; I229-M232 PolarHBondContact O-N 3.49Å; C230-M232 VanDerWaalsContact C-N 3.33Å; C230-M232 PolarHBondContact O-N 3.41Å; M232-R234 VanDerWaalsContact C-N 3.33Å; M232-R234 PolarHBondContact O-N 3.43Å; M232-A235 PolarHBondContact O-N 3.48Å; M232-M236 WeakPolarHBondContact O-CG 3.41Å; M232-M236 PolarHBondContact O-N 2.96Å; M232-L280 HydrophobicContact CE-CD1 4.24Å; M232-L280 HydrophobicContact CE-CD2 3.64Å; M232-L280 HydrophobicContact SD-CD1 3.61Å; M232-L280 HydrophobicContact SD-CD2 3.72Å; M232-L280 HydrophobicContact SD-CG 4.31Å; M232-F305 HydrophobicContact CE-CE1 4.21Å; M232-L306 HydrophobicContact CE-CD2 4.34Å; M232-L306 HydrophobicContact SD-CD2 3.92Å; M232-M327 HydrophobicContact CB-CE 4.12Å; M232-M327 HydrophobicContact CB-SD 3.93Å
233	F	88.5	Confident	85	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-57.6	-45.6	173.8	-82.6	-69.1	0	0	0	112	I229 C230 A235 M236 G237 I238 M244 L247 M248 A324 M327	I229-F233 HydrophobicContact CD1-CE2 4.03Å; I229-F233 HydrophobicContact CG1-CD2 3.84Å; I229-F233 HydrophobicContact CG1-CE2 3.67Å; I229-F233 WeakPolarHBondContact O-CD2 3.35Å; I229-F233 PolarHBondContact O-N 2.99Å; I229-F233 VanDerWaalsContact O-N 3.08Å; C230-F233 PolarHBondContact O-N 3.21Å; F233-A235 PolarHBondContact O-N 3.47Å; F233-M236 PolarHBondContact O-N 3.34Å; F233-G237 PolarHBondContact O-N 3.41Å; F233-I238 CarbonylContact C-O 3.25Å; F233-I238 HydrophobicContact CD1-CD1 4.1Å; F233-I238 PolarHBondContact O-N 3.07Å; F233-M244 HydrophobicContact CB-CE 4.13Å; F233-M244 HydrophobicContact CB-CG 3.89Å; F233-M244 HydrophobicContact CB-SD 3.78Å; F233-M244 HydrophobicContact CG-CG 4.23Å; F233-M244 HydrophobicContact CG-SD 4.49Å; F233-L247 HydrophobicContact CE1-CD1 4.09Å; F233-M248 HydrophobicContact CD2-SD 4.41Å; F233-M248 HydrophobicContact CE2-CG 3.89Å; F233-M248 HydrophobicContact CE2-SD 3.77Å; F233-M248 HydrophobicContact CZ-CG 4.14Å; F233-A324 HydrophobicContact CD1-CB 4.04Å; F233-A324 HydrophobicContact CE1-CB 4.05Å; F233-A324 VanDerWaalsContact CE1-O 3.24Å; F233-A324 WeakPolarHBondContact CE1-O 3.24Å; F233-M327 HydrophobicContact CD2-SD 4.49Å; F233-M327 HydrophobicContact CE2-CG 4.37Å; F233-M327 HydrophobicContact CE2-SD 4.28Å; F233-M327 HydrophobicContact CZ-CB 4.32Å; F233-M327 HydrophobicContact CZ-CG 4.12Å; F233-M327 HydrophobicContact CZ-SD 4.39Å
234	R	90.2	Very high	85.8	Confident	5 Å²	5	38.6 Å²	38.6	2%	0.019	20%	0.199	C	C	.	.	H	α-helix	trans	-60.4	-44.1	174.4	-68.5	-175.6	-164.9	-70	-1.8	111.9	C230 M232 M236 G237 I238 E239 D241 M244 I270 T271 Q273 A276	C230-R234 WeakPolarHBondContact O-CG 3.5Å; C230-R234 PolarHBondContact O-N 2.94Å; M232-R234 VanDerWaalsContact C-N 3.33Å; M232-R234 PolarHBondContact O-N 3.43Å; R234-M236 VanDerWaalsContact C-N 3.26Å; R234-M236 PolarHBondContact O-N 3.35Å; R234-G237 PolarHBondContact O-N 3.09Å; R234-I238 WeakPolarHBondContact CA-O 3.47Å; R234-I238 PolarHBondContact N-O 2.89Å; R234-E239 PolarHBondContact NH1-O 3.01Å; R234-D241 IonicContact CZ-OD1 3.95Å; R234-D241 IonicContact NH1-OD1 2.94Å; R234-D241 PolarHBondContact NH1-OD1 2.92Å; R234-D241 VanDerWaalsContact NH2-CG 3.29Å; R234-D241 IonicContact NH2-OD1 2.67Å; R234-D241 PolarHBondContact NH2-OD1 2.87Å; R234-D241 IonicContact NH2-OD2 3.73Å; R234-D241 PolarHBondContact NH2-OD2 2.8Å; R234-M244 HydrophobicContact CB-CE 4.43Å; R234-M244 HydrophobicContact CG-CE 3.29Å; R234-I270 WeakPolarHBondContact CD-O 3.21Å; R234-I270 PolarHBondContact NE-O 2.95Å; R234-T271 PolarHBondContact NH1-O 3.48Å; R234-T271 VanDerWaalsContact NH1-O 3.13Å; R234-Q273 WeakPolarHBondContact O-CA 3.46Å; R234-Q273 WeakPolarHBondContact O-CB 3.47Å; R234-Q273 WeakPolarHBondContact O-CG 3.42Å; R234-A276 HydrophobicContact CB-CB 3.78Å
235	A	87.9	Confident	86.6	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.8	-31.3	178.1	0	0	0	0	0	113.2	V231 M232 F233 G237 Q273 A276 L277 L280 L306	V231-A235 WeakPolarHBondContact O-CB 3.41Å; V231-A235 PolarHBondContact O-N 3.31Å; M232-A235 PolarHBondContact O-N 3.48Å; F233-A235 PolarHBondContact O-N 3.47Å; A235-G237 PolarHBondContact O-N 3.36Å; A235-Q273 PolarHBondContact O-NE2 3.16Å; A235-A276 HydrophobicContact CB-CB 3.93Å; A235-L277 HydrophobicContact CB-CD2 4.1Å; A235-L280 HydrophobicContact CB-CD1 3.31Å; A235-L280 HydrophobicContact CB-CG 4.38Å; A235-L306 HydrophobicContact CB-CD1 3.97Å
236	M	86.1	Confident	87.3	Confident	10 Å²	10	28.7 Å²	28.7	5%	0.049	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-3	173	-69.4	-175	179.5	0	0	113.9	M232 F233 R234 L306 F311 M320 K323 A324 M327	M232-M236 WeakPolarHBondContact O-CG 3.41Å; M232-M236 PolarHBondContact O-N 2.96Å; F233-M236 PolarHBondContact O-N 3.34Å; R234-M236 VanDerWaalsContact C-N 3.26Å; R234-M236 PolarHBondContact O-N 3.35Å; M236-L306 HydrophobicContact CE-CD2 4.04Å; M236-F311 HydrophobicContact CE-CD2 4.43Å; M236-F311 HydrophobicContact CE-CE2 3.74Å; M236-F311 HydrophobicContact CE-CZ 4.44Å; M236-M320 HydrophobicContact CB-CB 3.95Å; M236-M320 HydrophobicContact CG-CB 4.27Å; M236-M320 WeakPolarHBondContact O-CB 3.36Å; M236-K323 HydrophobicContact CE-CB 4.34Å; M236-K323 HydrophobicContact SD-CB 4.17Å; M236-A324 HydrophobicContact CB-CB 4.37Å; M236-A324 HydrophobicContact SD-CB 4Å; M236-M327 HydrophobicContact CE-CE 3.21Å; M236-M327 HydrophobicContact SD-CE 3.79Å
237	G	87.3	Confident	87.9	Confident	39 Å²	39	25.6 Å²	25.6	40%	0.402	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.8	7.8	176.9	0	0	0	0	0	115	F233 R234 A235 E239	F233-G237 PolarHBondContact O-N 3.41Å; R234-G237 PolarHBondContact O-N 3.09Å; A235-G237 PolarHBondContact O-N 3.36Å; G237-E239 PolarHBondContact O-N 3.01Å
238	I	89	Confident	88.2	Confident	14 Å²	14	25.6 Å²	25.6	7%	0.072	14%	0.142	C	C	.	.			trans	-92	94.6	170.3	-54.2	-169.1	0	0	0	107.4	F233 R234 E243 M244 L247 R321 A324	F233-I238 CarbonylContact C-O 3.25Å; F233-I238 HydrophobicContact CD1-CD1 4.1Å; F233-I238 PolarHBondContact O-N 3.07Å; R234-I238 WeakPolarHBondContact CA-O 3.47Å; R234-I238 PolarHBondContact N-O 2.89Å; I238-E243 HydrophobicContact CG2-CB 4.12Å; I238-E243 HydrophobicContact CG2-CG 3.88Å; I238-M244 HydrophobicContact CG2-CG 3.79Å; I238-M244 WeakPolarHBondContact O-CE 3.44Å; I238-L247 HydrophobicContact CD1-CD1 3.36Å; I238-R321 VanDerWaalsContact CD1-NH1 3.3Å; I238-A324 HydrophobicContact CD1-CB 3.43Å; I238-A324 VanDerWaalsContact CD1-CB 3.43Å; I238-A324 HydrophobicContact CG1-CB 4.18Å
239	E	89.8	Confident	88.1	Confident	93 Å²	93	25.5 Å²	25.5	44%	0.435	14%	0.141	S	C	.	.			trans	-90.1	-23.3	-178.8	-60.9	-172.9	156.6	0	0	113.1	R234 G237 D241 Q273	R234-E239 PolarHBondContact NH1-O 3.01Å; G237-E239 PolarHBondContact O-N 3.01Å; E239-D241 PolarHBondContact O-N 3.22Å; E239-Q273 WeakPolarHBondContact OE1-CB 3.27Å; E239-Q273 PolarHBondContact OE1-N 3.09Å
240	C	91	Very high	88.1	Confident	71 Å²	71	27.7 Å²	27.7	48%	0.48	16%	0.157	S	C	.	.			trans	-77	114.8	-178.5	-174.7	0	0	0	0	110.9	Q242 E243 M244	C240-Q242 PolarHBondContact O-N 3.42Å; C240-E243 HydrophobicContact CB-CB 4.01Å; C240-E243 WeakPolarHBondContact O-CB 3.48Å; C240-E243 PolarHBondContact O-N 2.89Å; C240-M244 PolarHBondContact O-N 2.73Å; C240-M244 VanDerWaalsContact O-N 3.08Å
241	D	89.9	Confident	88	Confident	54 Å²	54	32.8 Å²	32.8	29%	0.289	18%	0.181	S	C	.	.	H	α-helix	trans	-60.3	-36.1	-178.5	-62.5	6.1	0	0	0	112	R234 E239 E243 M244 A245 L262	R234-D241 IonicContact CZ-OD1 3.95Å; R234-D241 IonicContact NH1-OD1 2.94Å; R234-D241 PolarHBondContact NH1-OD1 2.92Å; R234-D241 VanDerWaalsContact NH2-CG 3.29Å; R234-D241 IonicContact NH2-OD1 2.67Å; R234-D241 PolarHBondContact NH2-OD1 2.87Å; R234-D241 IonicContact NH2-OD2 3.73Å; R234-D241 PolarHBondContact NH2-OD2 2.8Å; E239-D241 PolarHBondContact O-N 3.22Å; D241-E243 VanDerWaalsContact C-N 3.32Å; D241-E243 PolarHBondContact O-N 3.28Å; D241-M244 WeakPolarHBondContact O-CB 3.5Å; D241-M244 PolarHBondContact O-N 2.89Å; D241-A245 PolarHBondContact O-N 3.05Å; D241-L262 HydrophobicContact CB-CD2 4.27Å
242	Q	89.7	Confident	87.8	Confident	116 Å²	116	40.1 Å²	40.1	54%	0.542	22%	0.215	S	C	.	.	H	α-helix	trans	-62.1	-41.4	176	-174.1	-177.8	1.8	0	0	111.4	C240 A245 Y246	C240-Q242 PolarHBondContact O-N 3.42Å; Q242-A245 PolarHBondContact O-N 2.86Å; Q242-Y246 HydrophobicContact CG-CD2 4.05Å; Q242-Y246 HydrophobicContact CG-CE2 3.43Å; Q242-Y246 VanDerWaalsContact CG-CE2 3.43Å; Q242-Y246 PolarHBondContact NE2-OH 3.19Å; Q242-Y246 WeakPolarHBondContact O-CD2 3.43Å; Q242-Y246 PolarHBondContact O-N 3.31Å
243	E	90.4	Very high	87.8	Confident	32 Å²	32	41.5 Å²	41.5	15%	0.15	23%	0.228	C	C	.	.	H	α-helix	trans	-68.6	-37.7	177	-179	59.3	-164.2	0	0	111.4	I238 C240 D241 Y246 L247 R321 G517	I238-E243 HydrophobicContact CG2-CB 4.12Å; I238-E243 HydrophobicContact CG2-CG 3.88Å; C240-E243 HydrophobicContact CB-CB 4.01Å; C240-E243 WeakPolarHBondContact O-CB 3.48Å; C240-E243 PolarHBondContact O-N 2.89Å; D241-E243 VanDerWaalsContact C-N 3.32Å; D241-E243 PolarHBondContact O-N 3.28Å; E243-Y246 PolarHBondContact O-N 3.33Å; E243-L247 HydrophobicContact CG-CD1 4.48Å; E243-L247 VanDerWaalsContact O-CG 3.31Å; E243-L247 WeakPolarHBondContact O-CG 3.41Å; E243-L247 PolarHBondContact O-N 3.32Å; E243-L247 VanDerWaalsContact O-N 3.08Å; E243-R321 IonicContact OE1-CZ 2.79Å; E243-R321 IonicContact OE1-NH1 3.29Å; E243-R321 PolarHBondContact OE1-NH1 3.07Å; E243-R321 IonicContact OE1-NH2 3.96Å; E243-R321 PolarHBondContact OE1-NH2 2.86Å; E243-G517 WeakPolarHBondContact OE1-CA 3.12Å; E243-G517 PolarHBondContact OE1-N 3.4Å; E243-G517 PolarHBondContact OE2-N 3.2Å
244	M	89.4	Confident	87.6	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.6	-45.9	172.8	-59.6	-178.7	-160	0	0	111.7	C230 F233 R234 I238 C240 D241 Y246 L247 M248 L262	C230-M244 HydrophobicContact CB-SD 4.06Å; F233-M244 HydrophobicContact CB-CE 4.13Å; F233-M244 HydrophobicContact CB-CG 3.89Å; F233-M244 HydrophobicContact CB-SD 3.78Å; F233-M244 HydrophobicContact CG-CG 4.23Å; F233-M244 HydrophobicContact CG-SD 4.49Å; R234-M244 HydrophobicContact CB-CE 4.43Å; R234-M244 HydrophobicContact CG-CE 3.29Å; I238-M244 HydrophobicContact CG2-CG 3.79Å; I238-M244 WeakPolarHBondContact O-CE 3.44Å; C240-M244 PolarHBondContact O-N 2.73Å; C240-M244 VanDerWaalsContact O-N 3.08Å; D241-M244 WeakPolarHBondContact O-CB 3.5Å; D241-M244 PolarHBondContact O-N 2.89Å; M244-Y246 VanDerWaalsContact C-N 3.31Å; M244-Y246 PolarHBondContact O-N 2.79Å; M244-L247 PolarHBondContact O-N 2.83Å; M244-M248 HydrophobicContact CB-CE 4.03Å; M244-M248 WeakPolarHBondContact O-CE 3.37Å; M244-M248 WeakPolarHBondContact O-CG 3.4Å; M244-M248 PolarHBondContact O-N 2.96Å; M244-L262 HydrophobicContact SD-CD2 4.23Å
245	A	88.3	Confident	87.4	Confident	19 Å²	19	44.2 Å²	44.2	16%	0.157	24%	0.243	C	C	.	.	H	α-helix	trans	-59.4	-43.8	178.3	0	0	0	0	0	110.7	D241 Q242 L247 M248 G249	D241-A245 PolarHBondContact O-N 3.05Å; Q242-A245 PolarHBondContact O-N 2.86Å; A245-L247 PolarHBondContact O-N 2.96Å; A245-M248 CarbonylContact O-C 3.59Å; A245-M248 PolarHBondContact O-N 2.66Å; A245-G249 CarbonylContact O-C 3.22Å; A245-G249 VanDerWaalsContact O-C 3.25Å; A245-G249 PolarHBondContact O-N 2.76Å
246	Y	90.3	Very high	87.3	Confident	55 Å²	55	50.1 Å²	50.1	22%	0.216	27%	0.271	C	S	.	.	H	α-helix	trans	-62.7	-39.2	176.5	-68.3	-44.3	0	0	0	113.9	Q242 E243 M244 M248 G249 C250 N518	Q242-Y246 HydrophobicContact CG-CD2 4.05Å; Q242-Y246 HydrophobicContact CG-CE2 3.43Å; Q242-Y246 VanDerWaalsContact CG-CE2 3.43Å; Q242-Y246 PolarHBondContact NE2-OH 3.19Å; Q242-Y246 WeakPolarHBondContact O-CD2 3.43Å; Q242-Y246 PolarHBondContact O-N 3.31Å; E243-Y246 PolarHBondContact O-N 3.33Å; M244-Y246 VanDerWaalsContact C-N 3.31Å; M244-Y246 PolarHBondContact O-N 2.79Å; Y246-M248 VanDerWaalsContact C-N 3.34Å; Y246-G249 PolarHBondContact O-N 2.99Å; Y246-C250 HydrophobicContact CD1-CB 3.79Å; Y246-C250 HydrophobicContact CE1-CB 4.1Å; Y246-N518 HydrophobicContact CD1-CB 4.28Å; Y246-N518 HydrophobicContact CD2-CB 3.79Å; Y246-N518 HydrophobicContact CE1-CB 4.34Å; Y246-N518 HydrophobicContact CE2-CB 3.8Å; Y246-N518 HydrophobicContact CG-CB 4.05Å
247	L	88.4	Confident	87.1	Confident	7 Å²	7	51.9 Å²	51.9	4%	0.037	28%	0.279	C	S	.	.	H	α-helix	trans	-69.4	-30.5	176.4	-66.7	169.1	0	0	0	113.2	F233 I238 E243 M244 A245 R321 I325 G328 Q332 L520	F233-L247 HydrophobicContact CE1-CD1 4.09Å; I238-L247 HydrophobicContact CD1-CD1 3.36Å; E243-L247 HydrophobicContact CG-CD1 4.48Å; E243-L247 VanDerWaalsContact O-CG 3.31Å; E243-L247 WeakPolarHBondContact O-CG 3.41Å; E243-L247 PolarHBondContact O-N 3.32Å; E243-L247 VanDerWaalsContact O-N 3.08Å; M244-L247 PolarHBondContact O-N 2.83Å; A245-L247 PolarHBondContact O-N 2.96Å; L247-R321 VanDerWaalsContact CD1-NH1 3.34Å; L247-I325 HydrophobicContact CD2-CG1 3.86Å; L247-G328 CarbonylContact O-C 3.42Å; L247-Q332 PolarHBondContact O-NE2 3.21Å; L247-L520 HydrophobicContact CD2-CD1 4.32Å
248	M	86.9	Confident	86.9	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-86.8	-13.2	176.7	-66.6	-175.4	-68.3	0	0	113	I229 F233 M244 A245 Y246 Y254 H258 V331 Q332	I229-M248 HydrophobicContact CG2-SD 4.25Å; F233-M248 HydrophobicContact CD2-SD 4.41Å; F233-M248 HydrophobicContact CE2-CG 3.89Å; F233-M248 HydrophobicContact CE2-SD 3.77Å; F233-M248 HydrophobicContact CZ-CG 4.14Å; M244-M248 HydrophobicContact CB-CE 4.03Å; M244-M248 WeakPolarHBondContact O-CE 3.37Å; M244-M248 WeakPolarHBondContact O-CG 3.4Å; M244-M248 PolarHBondContact O-N 2.96Å; A245-M248 CarbonylContact O-C 3.59Å; A245-M248 PolarHBondContact O-N 2.66Å; Y246-M248 VanDerWaalsContact C-N 3.34Å; M248-Y254 WeakPolarHBondContact O-CD1 3.49Å; M248-H258 HydrophobicContact CE-CB 4.05Å; M248-H258 WeakPolarHBondContact CE-CD2 3.43Å; M248-H258 HydrophobicContact SD-CB 3.98Å; M248-V331 HydrophobicContact CB-CG1 4.37Å; M248-V331 HydrophobicContact CG-CB 4.4Å; M248-V331 HydrophobicContact CG-CG1 4.21Å; M248-V331 HydrophobicContact SD-CG1 4.31Å; M248-Q332 WeakPolarHBondContact O-CG 3.38Å
249	G	84.1	Confident	86.7	Confident	4 Å²	4	53.9 Å²	53.9	4%	0.041	28%	0.279	C	S	.	.			trans	118.4	130.3	179.4	0	0	0	0	0	112.3	A245 Y246 H258	A245-G249 CarbonylContact O-C 3.22Å; A245-G249 VanDerWaalsContact O-C 3.25Å; A245-G249 PolarHBondContact O-N 2.76Å; Y246-G249 PolarHBondContact O-N 2.99Å; G249-H258 PolarHBondContact O-CE1 3Å
250	C	82.8	Confident	86.4	Confident	57 Å²	57	53.2 Å²	53.2	39%	0.385	28%	0.278	S	S	.	.			trans	-89.3	-14.4	-175.5	73.3	0	0	0	0	115.4	Y246 S521	Y246-C250 HydrophobicContact CD1-CB 3.79Å; Y246-C250 HydrophobicContact CE1-CB 4.1Å; C250-S521 PolarHBondContact N-OG 2.84Å; C250-S521 PolarHBondContact SG-OG 2.89Å
251	E	83.7	Confident	86.1	Confident	107 Å²	107	49.9 Å²	49.9	50%	0.5	26%	0.256	S	S	.	.	S	Bend	trans	-68	146.7	-179.5	-67.2	172.6	-170	0	0	110.6	A253 Y254 V255	E251-A253 PolarHBondContact O-N 3.07Å; E251-A253 VanDerWaalsContact O-N 3.16Å; E251-Y254 HydrophobicContact CB-CD2 3.79Å; E251-Y254 HydrophobicContact CB-CE2 4.27Å; E251-Y254 PolarHBondContact O-N 3.34Å; E251-Y254 WeakPolarHBondContact OE2-CE2 3.17Å; E251-V255 PolarHBondContact O-N 3.12Å; E251-V255 VanDerWaalsContact O-N 3.07Å
252	E	85.1	Confident	85.9	Confident	154 Å²	154	48.5 Å²	48.5	72%	0.72	25%	0.248	S	C	*	.	H	α-helix	trans	-50.5	-45.2	-175.6	-175.2	172.1	-161.9	0	0	112.2	Y254 V255 E256	E252-Y254 VanDerWaalsContact C-N 3.28Å; E252-Y254 PolarHBondContact O-N 2.88Å; E252-V255 PolarHBondContact O-N 3.05Å; E252-V255 VanDerWaalsContact O-N 3.15Å; E252-E256 WeakPolarHBondContact O-CG 3.3Å; E252-E256 PolarHBondContact O-N 2.79Å
253	A	84.8	Confident	85.8	Confident	35 Å²	35	46 Å²	46	29%	0.289	24%	0.239	S	C	.	.	H	α-helix	trans	-58.9	-37.2	177.8	0	0	0	0	0	112.6	E251 H257 I339	E251-A253 PolarHBondContact O-N 3.07Å; E251-A253 VanDerWaalsContact O-N 3.16Å; A253-H257 PolarHBondContact O-CE1 3.28Å; A253-H257 PolarHBondContact O-ND1 3.19Å; A253-I339 HydrophobicContact CB-CD1 3.6Å; A253-I339 HydrophobicContact CB-CG1 4.41Å
254	Y	85.1	Confident	85.6	Confident	14 Å²	14	47.8 Å²	47.8	6%	0.055	25%	0.247	C	C	.	.	H	α-helix	trans	-73.7	-41.6	177.6	-68.7	-108.4	0	0	0	111.2	M248 E251 E252 E256 H257 H258 Q332 I335 Q336 I339	M248-Y254 WeakPolarHBondContact O-CD1 3.49Å; E251-Y254 HydrophobicContact CB-CD2 3.79Å; E251-Y254 HydrophobicContact CB-CE2 4.27Å; E251-Y254 PolarHBondContact O-N 3.34Å; E251-Y254 WeakPolarHBondContact OE2-CE2 3.17Å; E252-Y254 VanDerWaalsContact C-N 3.28Å; E252-Y254 PolarHBondContact O-N 2.88Å; Y254-E256 VanDerWaalsContact C-N 3.33Å; Y254-E256 PolarHBondContact O-N 3.49Å; Y254-H257 PolarHBondContact O-N 3.02Å; Y254-H257 VanDerWaalsContact O-N 3.15Å; Y254-H258 VanDerWaalsContact C-ND1 3.35Å; Y254-H258 PolarHBondContact O-CE1 3.06Å; Y254-H258 PolarHBondContact O-N 3.43Å; Y254-H258 PolarHBondContact O-ND1 3.33Å; Y254-Q332 HydrophobicContact CD1-CG 4.4Å; Y254-Q332 HydrophobicContact CE1-CB 4.27Å; Y254-Q332 HydrophobicContact CE1-CG 4.24Å; Y254-I335 HydrophobicContact CD1-CB 3.87Å; Y254-I335 HydrophobicContact CD1-CD1 3.96Å; Y254-I335 HydrophobicContact CD1-CG2 3.45Å; Y254-I335 VanDerWaalsContact CD1-CG2 3.45Å; Y254-I335 HydrophobicContact CD2-CG2 4.43Å; Y254-I335 HydrophobicContact CE1-CB 4.12Å; Y254-I335 HydrophobicContact CE1-CG2 3.83Å; Y254-I335 HydrophobicContact CG-CG2 3.81Å; Y254-Q336 HydrophobicContact CE1-CG 4.01Å; Y254-Q336 WeakPolarHBondContact OH-CG 3.48Å; Y254-Q336 PolarHBondContact OH-NE2 3.03Å; Y254-Q336 VanDerWaalsContact OH-NE2 3.14Å; Y254-I339 HydrophobicContact CD2-CD1 4.33Å; Y254-I339 HydrophobicContact CE2-CD1 4.29Å
255	V	85.5	Confident	85.4	Confident	48 Å²	48	47.8 Å²	47.8	29%	0.291	25%	0.247	S	C	.	.	H	α-helix	trans	-58.7	-43.9	178.9	179.3	0	0	0	0	111.3	E251 E252 H257 H258 I259	E251-V255 PolarHBondContact O-N 3.12Å; E251-V255 VanDerWaalsContact O-N 3.07Å; E252-V255 PolarHBondContact O-N 3.05Å; E252-V255 VanDerWaalsContact O-N 3.15Å; V255-H257 PolarHBondContact O-N 3.12Å; V255-H258 WeakPolarHBondContact CA-CE1 3.29Å; V255-H258 PolarHBondContact O-N 3.06Å; V255-I259 VanDerWaalsContact O-CB 3.26Å; V255-I259 WeakPolarHBondContact O-CB 3.21Å; V255-I259 PolarHBondContact O-N 3.39Å
256	E	85.8	Confident	85.4	Confident	123 Å²	123	50.7 Å²	50.7	58%	0.575	26%	0.259	S	S	*	.	H	α-helix	trans	-55.5	-36.3	176.4	-73.7	-176.3	163.8	0	0	113.4	E252 Y254 I259	E252-E256 WeakPolarHBondContact O-CG 3.3Å; E252-E256 PolarHBondContact O-N 2.79Å; Y254-E256 VanDerWaalsContact C-N 3.33Å; Y254-E256 PolarHBondContact O-N 3.49Å; E256-I259 WeakPolarHBondContact O-CG2 3.32Å
257	H	82.3	Confident	85.3	Confident	48 Å²	48	55.1 Å²	55.1	22%	0.222	28%	0.28	C	S	.	.	H	α-helix	trans	-78.4	-34.7	-178	-69.5	79.6	0	0	0	112.7	L214 A253 Y254 V255 I335 E338	L214-H257 HydrophobicContact CD1-CB 3.97Å; L214-H257 VanDerWaalsContact CD1-CD2 3.41Å; L214-H257 WeakPolarHBondContact CD1-CD2 3.35Å; L214-H257 HydrophobicContact CD2-CB 4.32Å; A253-H257 PolarHBondContact O-CE1 3.28Å; A253-H257 PolarHBondContact O-ND1 3.19Å; Y254-H257 PolarHBondContact O-N 3.02Å; Y254-H257 VanDerWaalsContact O-N 3.15Å; V255-H257 PolarHBondContact O-N 3.12Å; H257-I335 HydrophobicContact CB-CD1 4.01Å; H257-I335 HydrophobicContact CB-CG1 3.98Å; H257-E338 IonicContact CD2-OE2 2.89Å; H257-E338 PolarHBondContact CD2-OE2 3.33Å; H257-E338 VanDerWaalsContact CD2-OE2 3.32Å; H257-E338 IonicContact NE2-OE2 2.65Å
258	H	82.5	Confident	85.2	Confident	3 Å²	3	56.7 Å²	56.7	1%	0.014	29%	0.294	C	S	.	.	H	α-helix	trans	-100.3	-12.1	-175.8	69.8	-103.3	0	0	0	115.2	M248 G249 Y254 V255 L260 S261 L262	M248-H258 HydrophobicContact CE-CB 4.05Å; M248-H258 WeakPolarHBondContact CE-CD2 3.43Å; M248-H258 HydrophobicContact SD-CB 3.98Å; G249-H258 PolarHBondContact O-CE1 3Å; Y254-H258 VanDerWaalsContact C-ND1 3.35Å; Y254-H258 PolarHBondContact O-CE1 3.06Å; Y254-H258 PolarHBondContact O-N 3.43Å; Y254-H258 PolarHBondContact O-ND1 3.33Å; V255-H258 WeakPolarHBondContact CA-CE1 3.29Å; V255-H258 PolarHBondContact O-N 3.06Å; H258-L260 PolarHBondContact O-N 3.43Å; H258-S261 PolarHBondContact O-N 3.33Å; H258-L262 PolarHBondContact O-N 2.99Å
259	I	85.7	Confident	85.2	Confident	92 Å²	92	63.2 Å²	63.2	47%	0.472	33%	0.329	S	S	.	.	H	α-helix	trans	-58.7	-33.9	178.5	-163.1	165.5	0	0	0	112.6	V255 E256 S261 L262 D263	V255-I259 VanDerWaalsContact O-CB 3.26Å; V255-I259 WeakPolarHBondContact O-CB 3.21Å; V255-I259 PolarHBondContact O-N 3.39Å; E256-I259 WeakPolarHBondContact O-CG2 3.32Å; I259-S261 VanDerWaalsContact C-N 3.3Å; I259-S261 PolarHBondContact O-N 2.95Å; I259-L262 WeakPolarHBondContact O-CB 2.87Å; I259-L262 PolarHBondContact O-N 3.17Å; I259-D263 PolarHBondContact O-N 3.48Å
260	L	83.4	Confident	85.4	Confident	79 Å²	79	63.2 Å²	63.2	41%	0.414	33%	0.328	S	S	.	.	H	α-helix	trans	-62.4	-37.3	175.9	-66.1	174.8	0	0	0	111.9	H258 D263 E264	H258-L260 PolarHBondContact O-N 3.43Å; L260-D263 PolarHBondContact O-N 3.37Å; L260-E264 WeakPolarHBondContact O-CG 3.25Å; L260-E264 PolarHBondContact O-N 3.05Å
261	S	84.5	Confident	85.6	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.007	33%	0.331	C	S	.	.	H	α-helix	trans	-73.1	-30.4	176.8	-177.2	0	0	0	0	112.5	I229 C230 H258 I259 S265	I229-S261 WeakPolarHBondContact CG2-OG 3.33Å; I229-S261 PolarHBondContact N-OG 3.44Å; I229-S261 VanDerWaalsContact N-OG 3.09Å; C230-S261 PolarHBondContact N-OG 3.28Å; H258-S261 PolarHBondContact O-N 3.33Å; I259-S261 VanDerWaalsContact C-N 3.3Å; I259-S261 PolarHBondContact O-N 2.95Å; S261-S265 PolarHBondContact O-N 3.41Å; S261-S265 VanDerWaalsContact O-N 3.16Å
262	L	85.6	Confident	85.9	Confident	25 Å²	25	61.9 Å²	61.9	13%	0.131	33%	0.325	C	S	.	.	H	α-helix	trans	-65.1	-47.7	173	-77	168	0	0	0	109.8	C230 D241 M244 H258 I259 E264 S265 L266	C230-L262 HydrophobicContact CB-CD2 4Å; C230-L262 WeakPolarHBondContact SG-CD2 3.05Å; C230-L262 VanDerWaalsContact SG-CG 3.52Å; D241-L262 HydrophobicContact CB-CD2 4.27Å; M244-L262 HydrophobicContact SD-CD2 4.23Å; H258-L262 PolarHBondContact O-N 2.99Å; I259-L262 WeakPolarHBondContact O-CB 2.87Å; I259-L262 PolarHBondContact O-N 3.17Å; L262-E264 VanDerWaalsContact C-N 3.35Å; L262-E264 PolarHBondContact O-N 3.27Å; L262-S265 PolarHBondContact O-N 3.32Å; L262-S265 VanDerWaalsContact O-N 3.09Å; L262-S265 PolarHBondContact O-OG 2.97Å; L262-L266 WeakPolarHBondContact O-CG 3.19Å; L262-L266 PolarHBondContact O-N 2.84Å
263	D	87.3	Confident	86.2	Confident	64 Å²	64	57.8 Å²	57.8	34%	0.342	31%	0.306	S	S	.	.	H	α-helix	trans	-58.7	-42.2	176.7	-178.5	44.2	0	0	0	112.2	I259 L260 S265 L266 K267	I259-D263 PolarHBondContact O-N 3.48Å; L260-D263 PolarHBondContact O-N 3.37Å; D263-S265 VanDerWaalsContact C-N 3.34Å; D263-S265 PolarHBondContact O-N 3.39Å; D263-L266 PolarHBondContact O-N 3.36Å; D263-K267 WeakPolarHBondContact O-CB 3.37Å; D263-K267 VanDerWaalsContact O-CG 3.3Å; D263-K267 WeakPolarHBondContact O-CG 3.3Å; D263-K267 PolarHBondContact O-N 2.9Å; D263-K267 WeakPolarHBondContact OD1-CE 3.34Å; D263-K267 IonicContact OD1-NZ 3.61Å; D263-K267 WeakPolarHBondContact OD2-CE 3.4Å; D263-K267 IonicContact OD2-NZ 2.84Å; D263-K267 PolarHBondContact OD2-NZ 3.29Å
264	E	85.4	Confident	86.4	Confident	68 Å²	68	60.2 Å²	60.2	32%	0.318	31%	0.311	S	S	.	.	H	α-helix	trans	-61	-39.3	173.5	-76.2	-177.2	-173.6	0	0	113.1	P228 L260 L262 A268	P228-E264 HydrophobicContact CB-CB 4.27Å; P228-E264 HydrophobicContact CG-CB 4.16Å; L260-E264 WeakPolarHBondContact O-CG 3.25Å; L260-E264 PolarHBondContact O-N 3.05Å; L262-E264 VanDerWaalsContact C-N 3.35Å; L262-E264 PolarHBondContact O-N 3.27Å; E264-A268 WeakPolarHBondContact O-CB 3.45Å; E264-A268 PolarHBondContact O-N 2.94Å; E264-A268 VanDerWaalsContact O-N 3.07Å
265	S	86.4	Confident	86.7	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-67.4	-38.5	177.9	78.3	0	0	0	0	112.4	S261 L262 D263 A268 N269 I270	S261-S265 PolarHBondContact O-N 3.41Å; S261-S265 VanDerWaalsContact O-N 3.16Å; L262-S265 PolarHBondContact O-N 3.32Å; L262-S265 VanDerWaalsContact O-N 3.09Å; L262-S265 PolarHBondContact O-OG 2.97Å; D263-S265 VanDerWaalsContact C-N 3.34Å; D263-S265 PolarHBondContact O-N 3.39Å; S265-A268 PolarHBondContact O-N 3.01Å; S265-N269 PolarHBondContact O-N 3.42Å; S265-I270 PolarHBondContact O-N 2.88Å; S265-I270 VanDerWaalsContact O-N 3.1Å
266	L	87.4	Confident	86.9	Confident	80 Å²	80	58.7 Å²	58.7	42%	0.419	31%	0.305	S	S	.	.	H	α-helix	trans	-70.2	-42.9	177	-68.4	172.5	0	0	0	111.2	L262 D263 A268 N269 T271	L262-L266 WeakPolarHBondContact O-CG 3.19Å; L262-L266 PolarHBondContact O-N 2.84Å; D263-L266 PolarHBondContact O-N 3.36Å; L266-A268 PolarHBondContact O-N 3.03Å; L266-N269 WeakPolarHBondContact O-CA 3.45Å; L266-N269 PolarHBondContact O-N 3.16Å; L266-T271 HydrophobicContact CD2-CG2 4.39Å
267	K	89.5	Confident	87	Confident	148 Å²	148	53.2 Å²	53.2	64%	0.643	28%	0.28	S	S	*	.	H	α-helix	trans	-59.4	-31	172.9	-77	170.7	175.5	166.5	0	112.8	D263 N269	D263-K267 WeakPolarHBondContact O-CB 3.37Å; D263-K267 VanDerWaalsContact O-CG 3.3Å; D263-K267 WeakPolarHBondContact O-CG 3.3Å; D263-K267 PolarHBondContact O-N 2.9Å; D263-K267 WeakPolarHBondContact OD1-CE 3.34Å; D263-K267 IonicContact OD1-NZ 3.61Å; D263-K267 WeakPolarHBondContact OD2-CE 3.4Å; D263-K267 IonicContact OD2-NZ 2.84Å; D263-K267 PolarHBondContact OD2-NZ 3.29Å; K267-N269 PolarHBondContact O-N 3.07Å
268	A	85.7	Confident	87.3	Confident	40 Å²	40	57.2 Å²	57.2	33%	0.331	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	0.1	174.6	0	0	0	0	0	113.9	E264 S265 L266 I270 Y279	E264-A268 WeakPolarHBondContact O-CB 3.45Å; E264-A268 PolarHBondContact O-N 2.94Å; E264-A268 VanDerWaalsContact O-N 3.07Å; S265-A268 PolarHBondContact O-N 3.01Å; L266-A268 PolarHBondContact O-N 3.03Å; A268-I270 VanDerWaalsContact C-N 3.26Å; A268-I270 HydrophobicContact CB-CD1 3.6Å; A268-I270 HydrophobicContact CB-CG1 3.84Å; A268-I270 PolarHBondContact O-N 3.45Å; A268-Y279 HydrophobicContact CB-CE2 4.42Å
269	N	87.5	Confident	87.6	Confident	137 Å²	137	59.5 Å²	59.5	73%	0.733	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	35	-173.6	-63.8	-44.4	0	0	0	113.6	S265 L266 K267	S265-N269 PolarHBondContact O-N 3.42Å; L266-N269 WeakPolarHBondContact O-CA 3.45Å; L266-N269 PolarHBondContact O-N 3.16Å; K267-N269 PolarHBondContact O-N 3.07Å
270	I	87.7	Confident	87.6	Confident	4 Å²	4	55.1 Å²	55.1	2%	0.021	28%	0.279	C	S	.	.			trans	-103.6	100.5	-179.6	-55.6	168.1	0	0	0	108.1	V231 R234 S265 A268 S275 A276 Y279	V231-I270 HydrophobicContact CB-CD1 4.43Å; V231-I270 HydrophobicContact CG1-CD1 3.94Å; V231-I270 HydrophobicContact CG1-CG2 4.32Å; V231-I270 HydrophobicContact CG2-CB 4.5Å; V231-I270 HydrophobicContact CG2-CD1 3.57Å; V231-I270 HydrophobicContact CG2-CG2 4.42Å; R234-I270 WeakPolarHBondContact CD-O 3.21Å; R234-I270 PolarHBondContact NE-O 2.95Å; S265-I270 PolarHBondContact O-N 2.88Å; S265-I270 VanDerWaalsContact O-N 3.1Å; A268-I270 VanDerWaalsContact C-N 3.26Å; A268-I270 HydrophobicContact CB-CD1 3.6Å; A268-I270 HydrophobicContact CB-CG1 3.84Å; A268-I270 PolarHBondContact O-N 3.45Å; I270-S275 WeakPolarHBondContact CG2-OG 3.49Å; I270-A276 HydrophobicContact CG2-CB 3.61Å; I270-Y279 HydrophobicContact CD1-CD1 3.83Å; I270-Y279 HydrophobicContact CD1-CD2 3.47Å; I270-Y279 VanDerWaalsContact CD1-CD2 3.47Å; I270-Y279 HydrophobicContact CD1-CE1 4.13Å; I270-Y279 HydrophobicContact CD1-CE2 3.79Å; I270-Y279 HydrophobicContact CD1-CG 3.44Å; I270-Y279 VanDerWaalsContact CD1-CG 3.44Å; I270-Y279 HydrophobicContact CG1-CD2 4.37Å; I270-Y279 HydrophobicContact CG1-CG 4.48Å
271	T	86.6	Confident	87.6	Confident	76 Å²	76	51.3 Å²	51.3	47%	0.466	26%	0.259	S	S	.	.			trans	-116.5	-33.4	179	53.3	0	0	0	0	112.4	R234 L266 S275	R234-T271 PolarHBondContact NH1-O 3.48Å; R234-T271 VanDerWaalsContact NH1-O 3.13Å; L266-T271 HydrophobicContact CD2-CG2 4.39Å; T271-S275 PolarHBondContact N-OG 2.91Å
272	T	90.8	Very high	87.6	Confident	61 Å²	61	55 Å²	55	37%	0.374	28%	0.282	S	S	.	.	S	Bend	trans	-100.5	155.3	-178.5	62.3	0	0	0	0	112.3	H274 S275 A276	T272-H274 PolarHBondContact O-N 3.35Å; T272-S275 PolarHBondContact N-OG 3.27Å; T272-S275 PolarHBondContact O-N 3Å; T272-S275 PolarHBondContact O-OG 3.39Å; T272-S275 WeakPolarHBondContact OG1-CB 3.47Å; T272-S275 PolarHBondContact OG1-N 2.7Å; T272-S275 PolarHBondContact OG1-OG 3.31Å; T272-A276 PolarHBondContact O-N 3.37Å
273	Q	90.2	Very high	87.4	Confident	67 Å²	67	56.1 Å²	56.1	31%	0.313	28%	0.284	S	S	.	.	H	α-helix	trans	-55.2	-41.1	173.6	-179.1	176.8	31	0	0	111.4	R234 A235 E239 S275 A276 L277	R234-Q273 WeakPolarHBondContact O-CA 3.46Å; R234-Q273 WeakPolarHBondContact O-CB 3.47Å; R234-Q273 WeakPolarHBondContact O-CG 3.42Å; A235-Q273 PolarHBondContact O-NE2 3.16Å; E239-Q273 WeakPolarHBondContact OE1-CB 3.27Å; E239-Q273 PolarHBondContact OE1-N 3.09Å; Q273-S275 PolarHBondContact O-N 3.08Å; Q273-A276 WeakPolarHBondContact O-CB 3.19Å; Q273-A276 PolarHBondContact O-N 2.98Å; Q273-L277 HydrophobicContact CG-CD1 3.96Å; Q273-L277 HydrophobicContact CG-CG 4.25Å; Q273-L277 WeakPolarHBondContact O-CG 3.04Å; Q273-L277 PolarHBondContact O-N 3.11Å
274	H	90	Very high	86.9	Confident	86 Å²	86	53.4 Å²	53.4	40%	0.398	27%	0.27	S	S	.	.	H	α-helix	trans	-60.7	-46.2	179.7	-160.2	66.6	0	0	0	112.6	T272 A276 L277 R278 E299	T272-H274 PolarHBondContact O-N 3.35Å; H274-A276 VanDerWaalsContact C-N 3.3Å; H274-A276 PolarHBondContact O-N 3.23Å; H274-L277 PolarHBondContact O-N 3.09Å; H274-R278 VanDerWaalsContact NE2-CZ 3.33Å; H274-R278 PolarHBondContact NE2-NH2 3.4Å; H274-R278 WeakPolarHBondContact O-CG 3.46Å; H274-R278 PolarHBondContact O-N 3.45Å; H274-R278 VanDerWaalsContact O-N 3.08Å; H274-E299 IonicContact CD2-OE1 3.04Å; H274-E299 IonicContact CE1-OE1 3.65Å; H274-E299 PolarHBondContact CE1-OE1 3.1Å; H274-E299 IonicContact CE1-OE2 3.73Å; H274-E299 PolarHBondContact CE1-OE2 3.18Å; H274-E299 IonicContact ND1-OE1 3.48Å; H274-E299 IonicContact ND1-OE2 3.13Å; H274-E299 PolarHBondContact ND1-OE2 3.4Å; H274-E299 IonicContact NE2-OE1 3.26Å; H274-E299 PolarHBondContact NE2-OE1 3.16Å; H274-E299 IonicContact NE2-OE2 3.74Å
275	S	91.1	Very high	86.2	Confident	30 Å²	30	54.6 Å²	54.6	21%	0.21	27%	0.274	C	S	.	.	H	α-helix	trans	-63.5	-38.4	176	69	0	0	0	0	111.6	I270 T271 T272 Q273 Y279	I270-S275 WeakPolarHBondContact CG2-OG 3.49Å; T271-S275 PolarHBondContact N-OG 2.91Å; T272-S275 PolarHBondContact N-OG 3.27Å; T272-S275 PolarHBondContact O-N 3Å; T272-S275 PolarHBondContact O-OG 3.39Å; T272-S275 WeakPolarHBondContact OG1-CB 3.47Å; T272-S275 PolarHBondContact OG1-N 2.7Å; T272-S275 PolarHBondContact OG1-OG 3.31Å; Q273-S275 PolarHBondContact O-N 3.08Å; S275-Y279 WeakPolarHBondContact O-CB 3.47Å; S275-Y279 PolarHBondContact O-N 2.7Å
276	A	89.3	Confident	84.9	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-67.8	-44.2	178	0	0	0	0	0	112.1	V231 R234 A235 I270 T272 Q273 H274 R278 Y279 L280	V231-A276 HydrophobicContact CG1-CB 4.18Å; R234-A276 HydrophobicContact CB-CB 3.78Å; A235-A276 HydrophobicContact CB-CB 3.93Å; I270-A276 HydrophobicContact CG2-CB 3.61Å; T272-A276 PolarHBondContact O-N 3.37Å; Q273-A276 WeakPolarHBondContact O-CB 3.19Å; Q273-A276 PolarHBondContact O-N 2.98Å; H274-A276 VanDerWaalsContact C-N 3.3Å; H274-A276 PolarHBondContact O-N 3.23Å; A276-R278 PolarHBondContact O-N 2.96Å; A276-Y279 WeakPolarHBondContact O-CB 3.35Å; A276-Y279 PolarHBondContact O-N 3.28Å; A276-L280 WeakPolarHBondContact O-CG 3.45Å; A276-L280 PolarHBondContact O-N 3.47Å
277	L	88.8	Confident	83.4	Confident	9 Å²	9	61.7 Å²	61.7	5%	0.047	31%	0.307	C	S	.	.	H	α-helix	trans	-62.9	-42	177	-72.6	173	0	0	0	112	A235 Q273 H274 L280 G281 E299 A302 L303 L306	A235-L277 HydrophobicContact CB-CD2 4.1Å; Q273-L277 HydrophobicContact CG-CD1 3.96Å; Q273-L277 HydrophobicContact CG-CG 4.25Å; Q273-L277 WeakPolarHBondContact O-CG 3.04Å; Q273-L277 PolarHBondContact O-N 3.11Å; H274-L277 PolarHBondContact O-N 3.09Å; L277-L280 PolarHBondContact O-N 3.08Å; L277-G281 PolarHBondContact O-N 3.49Å; L277-E299 HydrophobicContact CB-CB 4.34Å; L277-E299 HydrophobicContact CB-CG 4.2Å; L277-A302 HydrophobicContact CB-CB 4.38Å; L277-A302 HydrophobicContact CD2-CB 3.97Å; L277-A302 VanDerWaalsContact O-CB 3.24Å; L277-A302 WeakPolarHBondContact O-CB 3.33Å; L277-L303 HydrophobicContact CD1-CD1 4.22Å; L277-L303 HydrophobicContact CD1-CD2 3.86Å; L277-L303 HydrophobicContact CD1-CG 3.91Å; L277-L303 HydrophobicContact CD2-CD2 3.79Å; L277-L303 HydrophobicContact CD2-CG 3.93Å; L277-L306 HydrophobicContact CD2-CD1 3.88Å
278	R	88.6	Confident	81.3	Confident	131 Å²	131	62.5 Å²	62.5	49%	0.494	32%	0.318	S	S	.	.	H	α-helix	trans	-61	-46.2	172.1	-74.2	-177.9	-179.1	177	-2.4	111.8	H274 A276 L280 G281 T282 E299	H274-R278 VanDerWaalsContact NE2-CZ 3.33Å; H274-R278 PolarHBondContact NE2-NH2 3.4Å; H274-R278 WeakPolarHBondContact O-CG 3.46Å; H274-R278 PolarHBondContact O-N 3.45Å; H274-R278 VanDerWaalsContact O-N 3.08Å; A276-R278 PolarHBondContact O-N 2.96Å; R278-L280 VanDerWaalsContact C-N 3.29Å; R278-L280 PolarHBondContact O-N 3.44Å; R278-G281 PolarHBondContact O-N 3.06Å; R278-T282 WeakPolarHBondContact O-CG2 3.23Å; R278-T282 PolarHBondContact O-N 3.18Å; R278-T282 VanDerWaalsContact O-N 3.12Å; R278-E299 HydrophobicContact CG-CG 3.68Å; R278-E299 WeakPolarHBondContact CG-OE1 3.42Å; R278-E299 IonicContact CZ-OE1 2.73Å; R278-E299 IonicContact NE-OE1 3.82Å; R278-E299 PolarHBondContact NE-OE1 3.46Å; R278-E299 IonicContact NH2-OE1 3.61Å; R278-E299 PolarHBondContact NH2-OE1 3.5Å; R278-E299 VanDerWaalsContact NH2-OE1 3.09Å
279	Y	87.8	Confident	79.5	Confident	51 Å²	51	68.4 Å²	68.4	20%	0.2	34%	0.338	C	S	.	.	H	α-helix	trans	-60.1	-39.7	178.6	-176.9	-90.7	0	0	0	112.1	V231 A268 I270 S275 A276 T282 R283	V231-Y279 HydrophobicContact CG1-CD1 3.7Å; V231-Y279 HydrophobicContact CG1-CE1 4.18Å; V231-Y279 HydrophobicContact CG1-CG 4.45Å; A268-Y279 HydrophobicContact CB-CE2 4.42Å; I270-Y279 HydrophobicContact CD1-CD1 3.83Å; I270-Y279 HydrophobicContact CD1-CD2 3.47Å; I270-Y279 VanDerWaalsContact CD1-CD2 3.47Å; I270-Y279 HydrophobicContact CD1-CE1 4.13Å; I270-Y279 HydrophobicContact CD1-CE2 3.79Å; I270-Y279 HydrophobicContact CD1-CG 3.44Å; I270-Y279 VanDerWaalsContact CD1-CG 3.44Å; I270-Y279 HydrophobicContact CG1-CD2 4.37Å; I270-Y279 HydrophobicContact CG1-CG 4.48Å; S275-Y279 WeakPolarHBondContact O-CB 3.47Å; S275-Y279 PolarHBondContact O-N 2.7Å; A276-Y279 WeakPolarHBondContact O-CB 3.35Å; A276-Y279 PolarHBondContact O-N 3.28Å; Y279-T282 PolarHBondContact O-OG1 3.19Å; Y279-R283 VanDerWaalsContact CE1-NH1 3.29Å; Y279-R283 VanDerWaalsContact CE2-CZ 3.44Å; Y279-R283 VanDerWaalsContact CE2-NH2 3.31Å; Y279-R283 PolarHBondContact O-NH1 2.95Å; Y279-R283 VanDerWaalsContact OH-CZ 3.25Å; Y279-R283 PolarHBondContact OH-NH2 3.22Å
280	L	85.3	Confident	77.6	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-65.5	-51.1	172.8	-72.7	179.2	0	0	0	111.7	F223 I227 M232 A235 A276 L277 R278 T282 R283 V284 A302 L306	F223-L280 HydrophobicContact CE1-CD2 4.18Å; F223-L280 HydrophobicContact CZ-CD2 4.17Å; I227-L280 HydrophobicContact CB-CD2 4.48Å; I227-L280 HydrophobicContact CD1-CD2 3.38Å; I227-L280 HydrophobicContact CG1-CD2 4.01Å; I227-L280 HydrophobicContact CG2-CD2 3.8Å; M232-L280 HydrophobicContact CE-CD1 4.24Å; M232-L280 HydrophobicContact CE-CD2 3.64Å; M232-L280 HydrophobicContact SD-CD1 3.61Å; M232-L280 HydrophobicContact SD-CD2 3.72Å; M232-L280 HydrophobicContact SD-CG 4.31Å; A235-L280 HydrophobicContact CB-CD1 3.31Å; A235-L280 HydrophobicContact CB-CG 4.38Å; A276-L280 WeakPolarHBondContact O-CG 3.45Å; A276-L280 PolarHBondContact O-N 3.47Å; L277-L280 PolarHBondContact O-N 3.08Å; R278-L280 VanDerWaalsContact C-N 3.29Å; R278-L280 PolarHBondContact O-N 3.44Å; L280-T282 PolarHBondContact O-N 2.89Å; L280-T282 VanDerWaalsContact O-N 3.16Å; L280-R283 CarbonylContact O-C 3.52Å; L280-R283 WeakPolarHBondContact O-CA 3.35Å; L280-R283 PolarHBondContact O-N 2.69Å; L280-V284 WeakPolarHBondContact O-CG2 3.38Å; L280-V284 PolarHBondContact O-N 3.02Å; L280-A302 HydrophobicContact CB-CB 3.79Å; L280-L306 HydrophobicContact CD1-CD1 4.2Å
281	G	83.5	Confident	75.4	Confident	0 Å²	0	80 Å²	80	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-55.8	-35.4	-176.4	0	0	0	0	0	113.3	L277 R278 R283 R296 L298	L277-G281 PolarHBondContact O-N 3.49Å; R278-G281 PolarHBondContact O-N 3.06Å; G281-R283 PolarHBondContact O-N 3.06Å; G281-R296 PolarHBondContact O-NH2 2.74Å; G281-L298 VanDerWaalsContact CA-O 3.31Å; G281-L298 WeakPolarHBondContact CA-O 3.29Å
282	T	84.6	Confident	73.6	Confident	77 Å²	77	79.7 Å²	79.7	47%	0.472	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-25.1	173.9	61.9	0	0	0	0	113.9	R278 Y279 L280 L298	R278-T282 WeakPolarHBondContact O-CG2 3.23Å; R278-T282 PolarHBondContact O-N 3.18Å; R278-T282 VanDerWaalsContact O-N 3.12Å; Y279-T282 PolarHBondContact O-OG1 3.19Å; L280-T282 PolarHBondContact O-N 2.89Å; L280-T282 VanDerWaalsContact O-N 3.16Å; T282-L298 HydrophobicContact CG2-CD1 3.95Å
283	R	82.3	Confident	71.6	Confident	50 Å²	50	85.2 Å²	85.2	19%	0.189	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-15.2	-176.7	-71.7	-179.6	175.6	71.3	-2.1	114.1	F223 F224 Y279 L280 G281 K285	F223-R283 WeakPolarHBondContact CA-O 2.95Å; F223-R283 HydrophobicContact CD1-CB 4.08Å; F224-R283 VanDerWaalsContact CD2-O 3.29Å; F224-R283 WeakPolarHBondContact CD2-O 3.28Å; F224-R283 PolarHBondContact N-O 3.16Å; Y279-R283 VanDerWaalsContact CE1-NH1 3.29Å; Y279-R283 VanDerWaalsContact CE2-CZ 3.44Å; Y279-R283 VanDerWaalsContact CE2-NH2 3.31Å; Y279-R283 PolarHBondContact O-NH1 2.95Å; Y279-R283 VanDerWaalsContact OH-CZ 3.25Å; Y279-R283 PolarHBondContact OH-NH2 3.22Å; L280-R283 CarbonylContact O-C 3.52Å; L280-R283 WeakPolarHBondContact O-CA 3.35Å; L280-R283 PolarHBondContact O-N 2.69Å; G281-R283 PolarHBondContact O-N 3.06Å; R283-K285 PolarHBondContact O-N 2.92Å
284	V	76.3	Confident	70	Confident	7 Å²	7	87.5 Å²	87.5	4%	0.042	43%	0.428	C	S	.	.	B	Isolated β-bridge	trans	-64.7	127.3	176.2	-178.1	0	0	0	0	108.9	F223 L280 T286 R296 F305	F223-V284 HydrophobicContact CD1-CG2 4.13Å; F223-V284 HydrophobicContact CE1-CB 4.35Å; F223-V284 HydrophobicContact CE1-CG2 3.48Å; F223-V284 VanDerWaalsContact CE1-CG2 3.48Å; F223-V284 HydrophobicContact CZ-CG2 4.33Å; L280-V284 WeakPolarHBondContact O-CG2 3.38Å; L280-V284 PolarHBondContact O-N 3.02Å; V284-T286 WeakPolarHBondContact CG1-OG1 3.49Å; V284-T286 PolarHBondContact O-N 2.84Å; V284-R296 PolarHBondContact O-NH2 3.03Å; V284-F305 HydrophobicContact CG1-CB 4.31Å; V284-F305 HydrophobicContact CG1-CD2 4.29Å; V284-F305 HydrophobicContact CG1-CG 4.41Å; V284-F305 HydrophobicContact CG2-CB 4.2Å; V284-F305 HydrophobicContact CG2-CG 4.23Å
285	K	70.7	Confident	68.5	Low	92 Å²	92	93 Å²	93	40%	0.4	45%	0.454	S	S	.	.			trans	-74.5	64.2	166.5	-66.6	173.3	169.9	157.4	0	108.7	S222 F223 F224 R283	S222-K285 VanDerWaalsContact O-CB 3.25Å; S222-K285 WeakPolarHBondContact O-CB 3.36Å; S222-K285 WeakPolarHBondContact O-CG 3.13Å; S222-K285 PolarHBondContact O-N 3.19Å; F223-K285 WeakPolarHBondContact O-CE 3.4Å; F223-K285 PolarHBondContact O-NZ 2.99Å; F224-K285 HydrophobicContact CD1-CD 4.38Å; F224-K285 HydrophobicContact CD1-CG 3.95Å; F224-K285 HydrophobicContact CD2-CG 3.75Å; F224-K285 HydrophobicContact CE1-CD 4.37Å; F224-K285 HydrophobicContact CE1-CG 3.79Å; F224-K285 HydrophobicContact CE2-CB 4.26Å; F224-K285 HydrophobicContact CE2-CG 3.58Å; F224-K285 HydrophobicContact CG-CG 3.93Å; F224-K285 HydrophobicContact CZ-CB 4.36Å; F224-K285 HydrophobicContact CZ-CG 3.61Å; R283-K285 PolarHBondContact O-N 2.92Å
286	T	60.1	Low	67.3	Low	63 Å²	63	98.1 Å²	98.1	39%	0.387	47%	0.469	S	S	.	.			trans	-68.1	137.1	177.4	-34.5	0	0	0	0	109	V284 L288 R296 D301	V284-T286 WeakPolarHBondContact CG1-OG1 3.49Å; V284-T286 PolarHBondContact O-N 2.84Å; T286-L288 PolarHBondContact O-N 3.49Å; T286-R296 PolarHBondContact OG1-NH2 2.89Å; T286-D301 PolarHBondContact OG1-OD2 2.79Å
287	F	54.5	Low	66.7	Low	166 Å²	166	102.2 Å²	102.2	73%	0.728	49%	0.491	S	S	*	.			trans	-50.5	129	-171.9	-85.7	-108	0	0	0	113.8	Q289	F287-Q289 PolarHBondContact O-N 2.97Å
288	L	46.4	Very low	66.3	Low	166 Å²	166	104.5 Å²	104.5	87%	0.869	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	18.3	170.5	-85.2	155.6	0	0	0	115.3	T286	T286-L288 PolarHBondContact O-N 3.49Å
289	Q	48.6	Very low	66	Low	163 Å²	163	100.1 Å²	100.1	76%	0.762	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-4	-174.1	-84.5	-177.6	-25.9	0	0	115.4	F287	F287-Q289 PolarHBondContact O-N 2.97Å
290	Y	47.4	Very low	65.7	Low	199 Å²	199	105.5 Å²	105.5	78%	0.78	51%	0.507	S	S	*	.			trans	-106.5	78.5	169.3	-78.1	-85.5	0	0	0	110.4	S292	Y290-S292 PolarHBondContact O-N 3.03Å
291	Q	41.5	Very low	65.3	Low	186 Å²	186	106.9 Å²	106.9	87%	0.869	52%	0.515	S	S	*	.			trans	-89	35.6	163.9	-84.7	-171.9	-26.3	0	0	111.5
292	S	47.5	Very low	65.2	Low	70 Å²	70	106.9 Å²	106.9	49%	0.49	52%	0.515	S	S	.	.	S	Bend	trans	-120	99.1	177.1	60.1	0	0	0	0	111.1	Y290 T294	Y290-S292 PolarHBondContact O-N 3.03Å; S292-T294 PolarHBondContact O-N 2.95Å; S292-T294 PolarHBondContact O-OG1 2.86Å
293	D	49.5	Very low	65	Low	177 Å²	177	105.9 Å²	105.9	95%	0.947	51%	0.506	S	S	*	.	S	Bend	trans	34.7	19.8	150.2	-71	-12.8	0	0	0	121.8
294	T	56	Low	64.6	Low	115 Å²	115	106.8 Å²	106.8	71%	0.706	52%	0.515	S	S	*	.			trans	-113.5	125.4	176.9	36.9	0	0	0	0	110.9	S292 R296	S292-T294 PolarHBondContact O-N 2.95Å; S292-T294 PolarHBondContact O-OG1 2.86Å; T294-R296 PolarHBondContact O-N 3Å
295	E	58	Low	64.6	Low	201 Å²	201	107.5 Å²	107.5	94%	0.939	52%	0.517	S	S	*	.			trans	-51.9	125	177	-74.8	-175.9	153.9	0	0	110.6	N297	E295-N297 PolarHBondContact O-N 3Å; E295-N297 VanDerWaalsContact O-N 3.09Å
296	R	66.3	Low	64.9	Low	138 Å²	138	103.2 Å²	103.2	52%	0.521	50%	0.499	S	S	.	.			trans	-66.9	108.7	-178.4	-174.6	-179	-179.8	-168.2	-2.5	110.2	G281 V284 T286 T294 L298 D301	G281-R296 PolarHBondContact O-NH2 2.74Å; V284-R296 PolarHBondContact O-NH2 3.03Å; T286-R296 PolarHBondContact OG1-NH2 2.89Å; T294-R296 PolarHBondContact O-N 3Å; R296-L298 HydrophobicContact CG-CD2 4.33Å; R296-L298 PolarHBondContact O-N 3.16Å; R296-D301 WeakPolarHBondContact CG-OD2 2.91Å; R296-D301 IonicContact CZ-OD2 2.8Å; R296-D301 IonicContact NE-OD2 2.78Å; R296-D301 PolarHBondContact NE-OD2 2.88Å; R296-D301 IonicContact NH2-OD2 3.17Å; R296-D301 PolarHBondContact NH2-OD2 2.65Å
297	N	77	Confident	65.3	Low	86 Å²	86	103 Å²	103	46%	0.46	49%	0.493	S	S	.	.			trans	-85.2	99.5	172.7	-171.7	-23	0	0	0	110.1	E295 E299 R300 D301	E295-N297 PolarHBondContact O-N 3Å; E295-N297 VanDerWaalsContact O-N 3.09Å; N297-E299 VanDerWaalsContact C-N 3.29Å; N297-E299 PolarHBondContact O-N 3.07Å; N297-E299 PolarHBondContact OD1-N 3.03Å; N297-R300 HydrophobicContact CB-CB 3.94Å; N297-R300 WeakPolarHBondContact O-CB 3.27Å; N297-R300 PolarHBondContact O-N 3.24Å; N297-R300 VanDerWaalsContact O-N 3.17Å; N297-R300 PolarHBondContact OD1-N 2.87Å; N297-D301 PolarHBondContact O-N 2.74Å
298	L	81.6	Confident	65.8	Low	56 Å²	56	101.3 Å²	101.3	29%	0.293	49%	0.491	S	S	.	.	H	α-helix	trans	-58.4	-37.1	-175.9	-63.8	173.7	0	0	0	113.5	G281 T282 R296 D301 A302	G281-L298 VanDerWaalsContact CA-O 3.31Å; G281-L298 WeakPolarHBondContact CA-O 3.29Å; T282-L298 HydrophobicContact CG2-CD1 3.95Å; R296-L298 HydrophobicContact CG-CD2 4.33Å; R296-L298 PolarHBondContact O-N 3.16Å; L298-D301 PolarHBondContact O-N 3.13Å; L298-A302 WeakPolarHBondContact O-CB 3.27Å; L298-A302 PolarHBondContact O-N 2.74Å
299	E	81.5	Confident	66.5	Low	40 Å²	40	94 Å²	94	19%	0.187	45%	0.453	C	S	.	.	H	α-helix	trans	-69.2	-40.4	179.5	-67.7	158.2	-154.6	0	0	110.7	H274 L277 R278 N297 A302 L303	H274-E299 IonicContact CD2-OE1 3.04Å; H274-E299 IonicContact CE1-OE1 3.65Å; H274-E299 PolarHBondContact CE1-OE1 3.1Å; H274-E299 IonicContact CE1-OE2 3.73Å; H274-E299 PolarHBondContact CE1-OE2 3.18Å; H274-E299 IonicContact ND1-OE1 3.48Å; H274-E299 IonicContact ND1-OE2 3.13Å; H274-E299 PolarHBondContact ND1-OE2 3.4Å; H274-E299 IonicContact NE2-OE1 3.26Å; H274-E299 PolarHBondContact NE2-OE1 3.16Å; H274-E299 IonicContact NE2-OE2 3.74Å; L277-E299 HydrophobicContact CB-CB 4.34Å; L277-E299 HydrophobicContact CB-CG 4.2Å; R278-E299 HydrophobicContact CG-CG 3.68Å; R278-E299 WeakPolarHBondContact CG-OE1 3.42Å; R278-E299 IonicContact CZ-OE1 2.73Å; R278-E299 IonicContact NE-OE1 3.82Å; R278-E299 PolarHBondContact NE-OE1 3.46Å; R278-E299 IonicContact NH2-OE1 3.61Å; R278-E299 PolarHBondContact NH2-OE1 3.5Å; R278-E299 VanDerWaalsContact NH2-OE1 3.09Å; N297-E299 VanDerWaalsContact C-N 3.29Å; N297-E299 PolarHBondContact O-N 3.07Å; N297-E299 PolarHBondContact OD1-N 3.03Å; E299-A302 PolarHBondContact O-N 3.09Å; E299-L303 WeakPolarHBondContact O-CB 3.28Å; E299-L303 WeakPolarHBondContact O-CG 3.04Å; E299-L303 PolarHBondContact O-N 2.91Å
300	R	80.4	Confident	66.8	Low	163 Å²	163	91.4 Å²	91.4	62%	0.615	44%	0.444	S	S	*	.	H	α-helix	trans	-65.1	-43.7	175.4	-171.6	177.4	179.9	170.2	3.2	111.3	N297 A302 L303 D304	N297-R300 HydrophobicContact CB-CB 3.94Å; N297-R300 WeakPolarHBondContact O-CB 3.27Å; N297-R300 PolarHBondContact O-N 3.24Å; N297-R300 VanDerWaalsContact O-N 3.17Å; N297-R300 PolarHBondContact OD1-N 2.87Å; R300-A302 VanDerWaalsContact C-N 3.25Å; R300-A302 PolarHBondContact O-N 3.46Å; R300-L303 PolarHBondContact O-N 3.2Å; R300-D304 IonicContact NE-OD2 2.82Å; R300-D304 VanDerWaalsContact O-CB 3.27Å; R300-D304 WeakPolarHBondContact O-CB 3.33Å; R300-D304 VanDerWaalsContact O-CG 3.26Å; R300-D304 PolarHBondContact O-N 3.13Å
301	D	78.3	Confident	67.3	Low	29 Å²	29	82.6 Å²	82.6	16%	0.155	41%	0.41	C	S	.	.	H	α-helix	trans	-56.4	-42	173.7	-78.5	3.4	0	0	0	111.5	T286 R296 N297 L298 F305	T286-D301 PolarHBondContact OG1-OD2 2.79Å; R296-D301 WeakPolarHBondContact CG-OD2 2.91Å; R296-D301 IonicContact CZ-OD2 2.8Å; R296-D301 IonicContact NE-OD2 2.78Å; R296-D301 PolarHBondContact NE-OD2 2.88Å; R296-D301 IonicContact NH2-OD2 3.17Å; R296-D301 PolarHBondContact NH2-OD2 2.65Å; N297-D301 PolarHBondContact O-N 2.74Å; L298-D301 PolarHBondContact O-N 3.13Å; D301-F305 VanDerWaalsContact O-CB 3.25Å; D301-F305 WeakPolarHBondContact O-CB 3.34Å; D301-F305 PolarHBondContact O-N 3.08Å
302	A	80.8	Confident	67.8	Low	0 Å²	0	74.1 Å²	74.1	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-69.8	-42.5	178.1	0	0	0	0	0	112.6	L277 L280 L298 E299 R300 F305 L306	L277-A302 HydrophobicContact CB-CB 4.38Å; L277-A302 HydrophobicContact CD2-CB 3.97Å; L277-A302 VanDerWaalsContact O-CB 3.24Å; L277-A302 WeakPolarHBondContact O-CB 3.33Å; L280-A302 HydrophobicContact CB-CB 3.79Å; L298-A302 WeakPolarHBondContact O-CB 3.27Å; L298-A302 PolarHBondContact O-N 2.74Å; E299-A302 PolarHBondContact O-N 3.09Å; R300-A302 VanDerWaalsContact C-N 3.25Å; R300-A302 PolarHBondContact O-N 3.46Å; A302-F305 WeakPolarHBondContact O-CB 3.32Å; A302-F305 PolarHBondContact O-N 2.62Å; A302-L306 WeakPolarHBondContact O-CG 3.35Å; A302-L306 PolarHBondContact O-N 3.24Å
303	L	80.7	Confident	68	Low	57 Å²	57	71.4 Å²	71.4	30%	0.298	35%	0.353	S	S	.	.	H	α-helix	trans	-64	-49.3	175	-76.3	171.5	0	0	0	111	L277 E299 R300 F305 L306 H307	L277-L303 HydrophobicContact CD1-CD1 4.22Å; L277-L303 HydrophobicContact CD1-CD2 3.86Å; L277-L303 HydrophobicContact CD1-CG 3.91Å; L277-L303 HydrophobicContact CD2-CD2 3.79Å; L277-L303 HydrophobicContact CD2-CG 3.93Å; E299-L303 WeakPolarHBondContact O-CB 3.28Å; E299-L303 WeakPolarHBondContact O-CG 3.04Å; E299-L303 PolarHBondContact O-N 2.91Å; R300-L303 PolarHBondContact O-N 3.2Å; L303-F305 PolarHBondContact O-N 2.91Å; L303-L306 CarbonylContact O-C 3.44Å; L303-L306 PolarHBondContact O-N 3.03Å; L303-H307 WeakPolarHBondContact O-CB 2.96Å; L303-H307 PolarHBondContact O-CD2 2.93Å; L303-H307 VanDerWaalsContact O-CG 3.24Å; L303-H307 PolarHBondContact O-N 2.87Å
304	D	74.7	Confident	68.1	Low	69 Å²	69	67 Å²	67	37%	0.369	33%	0.329	S	S	.	.	H	α-helix	trans	-57.1	-41.1	176.2	-73.8	-18.1	0	0	0	110.3	R300 H307 I308	R300-D304 IonicContact NE-OD2 2.82Å; R300-D304 VanDerWaalsContact O-CB 3.27Å; R300-D304 WeakPolarHBondContact O-CB 3.33Å; R300-D304 VanDerWaalsContact O-CG 3.26Å; R300-D304 PolarHBondContact O-N 3.13Å; D304-H307 PolarHBondContact O-N 3.11Å; D304-I308 WeakPolarHBondContact O-CB 3.46Å; D304-I308 WeakPolarHBondContact O-CD1 3.43Å; D304-I308 WeakPolarHBondContact O-CG1 3.37Å; D304-I308 PolarHBondContact O-N 3.35Å
305	F	76	Confident	67.8	Low	21 Å²	21	65.3 Å²	65.3	9%	0.092	33%	0.334	C	S	.	.	H	α-helix	trans	-59.9	-51.8	171.3	174.3	-95.7	0	0	0	112.2	F223 M232 V284 D301 A302 L303 H307 I308 V309	F223-F305 HydrophobicContact CD2-CZ 4.22Å; F223-F305 HydrophobicContact CE1-CD1 4.35Å; F223-F305 HydrophobicContact CE1-CE1 4.13Å; F223-F305 HydrophobicContact CE1-CZ 4.44Å; F223-F305 HydrophobicContact CE2-CD1 4.29Å; F223-F305 AromaticContact CE2-CE1 3.32Å; F223-F305 HydrophobicContact CE2-CE1 3.32Å; F223-F305 HydrophobicContact CE2-CE2 4.32Å; F223-F305 AromaticContact CE2-CZ 3.31Å; F223-F305 HydrophobicContact CE2-CZ 3.31Å; F223-F305 AromaticContact CZ-CD1 3.6Å; F223-F305 HydrophobicContact CZ-CD1 3.6Å; F223-F305 AromaticContact CZ-CE1 3.06Å; F223-F305 HydrophobicContact CZ-CE1 3.06Å; F223-F305 HydrophobicContact CZ-CE2 4.32Å; F223-F305 HydrophobicContact CZ-CG 4.4Å; F223-F305 AromaticContact CZ-CZ 3.46Å; F223-F305 HydrophobicContact CZ-CZ 3.46Å; F223-F305 VanDerWaalsContact CZ-CZ 3.46Å; M232-F305 HydrophobicContact CE-CE1 4.21Å; V284-F305 HydrophobicContact CG1-CB 4.31Å; V284-F305 HydrophobicContact CG1-CD2 4.29Å; V284-F305 HydrophobicContact CG1-CG 4.41Å; V284-F305 HydrophobicContact CG2-CB 4.2Å; V284-F305 HydrophobicContact CG2-CG 4.23Å; D301-F305 VanDerWaalsContact O-CB 3.25Å; D301-F305 WeakPolarHBondContact O-CB 3.34Å; D301-F305 PolarHBondContact O-N 3.08Å; A302-F305 WeakPolarHBondContact O-CB 3.32Å; A302-F305 PolarHBondContact O-N 2.62Å; L303-F305 PolarHBondContact O-N 2.91Å; F305-H307 PolarHBondContact O-N 2.79Å; F305-I308 PolarHBondContact O-N 2.77Å; F305-I308 VanDerWaalsContact O-N 3.14Å; F305-V309 HydrophobicContact CD1-CG2 4Å; F305-V309 HydrophobicContact CD2-CG2 4.05Å; F305-V309 HydrophobicContact CE1-CG2 3.47Å; F305-V309 VanDerWaalsContact CE1-CG2 3.47Å; F305-V309 HydrophobicContact CE2-CG2 3.52Å; F305-V309 HydrophobicContact CG-CG2 4.27Å; F305-V309 HydrophobicContact CZ-CG2 3.23Å; F305-V309 WeakPolarHBondContact O-CB 3.48Å; F305-V309 VanDerWaalsContact O-CG2 3.24Å; F305-V309 WeakPolarHBondContact O-CG2 3.48Å; F305-V309 PolarHBondContact O-N 3.47Å
306	L	75.8	Confident	67.5	Low	2 Å²	2	61.8 Å²	61.8	1%	0.01	32%	0.321	C	S	.	.	H	α-helix	trans	-62.6	-28.6	178.9	-70.7	173.2	0	0	0	112.9	M232 A235 M236 L277 L280 A302 L303 M320 K323	M232-L306 HydrophobicContact CE-CD2 4.34Å; M232-L306 HydrophobicContact SD-CD2 3.92Å; A235-L306 HydrophobicContact CB-CD1 3.97Å; M236-L306 HydrophobicContact CE-CD2 4.04Å; L277-L306 HydrophobicContact CD2-CD1 3.88Å; L280-L306 HydrophobicContact CD1-CD1 4.2Å; A302-L306 WeakPolarHBondContact O-CG 3.35Å; A302-L306 PolarHBondContact O-N 3.24Å; L303-L306 CarbonylContact O-C 3.44Å; L303-L306 PolarHBondContact O-N 3.03Å; L306-M320 HydrophobicContact CB-CE 3.78Å; L306-K323 PolarHBondContact O-NZ 2.85Å
307	H	69.1	Low	67	Low	59 Å²	59	64.7 Å²	64.7	27%	0.273	33%	0.332	S	S	.	.	H	α-helix	trans	-72.9	-43.8	172.8	-66.1	-52.7	0	0	0	111.7	L303 D304 F305 R317 M320	L303-H307 WeakPolarHBondContact O-CB 2.96Å; L303-H307 PolarHBondContact O-CD2 2.93Å; L303-H307 VanDerWaalsContact O-CG 3.24Å; L303-H307 PolarHBondContact O-N 2.87Å; D304-H307 PolarHBondContact O-N 3.11Å; F305-H307 PolarHBondContact O-N 2.79Å; H307-R317 PolarHBondContact CE1-O 2.95Å; H307-R317 PolarHBondContact ND1-O 3.22Å; H307-M320 WeakPolarHBondContact CE1-CE 3.48Å; H307-M320 WeakPolarHBondContact ND1-CE 3.24Å
308	I	64.4	Low	66.2	Low	131 Å²	131	68.5 Å²	68.5	67%	0.672	35%	0.347	S	S	*	.	H	α-helix	trans	-71.4	-30.5	179.5	-68.1	163.4	0	0	0	112.1	D304 F305 N310	D304-I308 WeakPolarHBondContact O-CB 3.46Å; D304-I308 WeakPolarHBondContact O-CD1 3.43Å; D304-I308 WeakPolarHBondContact O-CG1 3.37Å; D304-I308 PolarHBondContact O-N 3.35Å; F305-I308 PolarHBondContact O-N 2.77Å; F305-I308 VanDerWaalsContact O-N 3.14Å; I308-N310 PolarHBondContact O-N 3.02Å
309	V	61.3	Low	65.9	Low	11 Å²	11	69.4 Å²	69.4	7%	0.067	35%	0.352	C	S	.	.	S	Bend	trans	-65.7	91.8	171.9	173.4	0	0	0	0	107.8	F305 F311 K323	F305-V309 HydrophobicContact CD1-CG2 4Å; F305-V309 HydrophobicContact CD2-CG2 4.05Å; F305-V309 HydrophobicContact CE1-CG2 3.47Å; F305-V309 VanDerWaalsContact CE1-CG2 3.47Å; F305-V309 HydrophobicContact CE2-CG2 3.52Å; F305-V309 HydrophobicContact CG-CG2 4.27Å; F305-V309 HydrophobicContact CZ-CG2 3.23Å; F305-V309 WeakPolarHBondContact O-CB 3.48Å; F305-V309 VanDerWaalsContact O-CG2 3.24Å; F305-V309 WeakPolarHBondContact O-CG2 3.48Å; F305-V309 PolarHBondContact O-N 3.47Å; V309-F311 VanDerWaalsContact C-N 3.27Å; V309-F311 HydrophobicContact CG1-CD2 3.81Å; V309-F311 HydrophobicContact CG1-CE2 3.51Å; V309-F311 HydrophobicContact CG1-CZ 4.17Å; V309-F311 PolarHBondContact O-N 2.81Å; V309-K323 PolarHBondContact O-NZ 2.89Å
310	N	55.2	Low	65.9	Low	110 Å²	110	68.3 Å²	68.3	59%	0.588	35%	0.347	S	S	*	.			trans	-70.8	87.3	171.8	-74.3	-6.9	0	0	0	108	L207 I308	L207-N310 WeakPolarHBondContact CD1-O 3.29Å; I308-N310 PolarHBondContact O-N 3.02Å
311	F	57	Low	66.2	Low	14 Å²	14	62.5 Å²	62.5	6%	0.061	33%	0.325	C	S	.	.			trans	-63.8	144.2	144.2	-67.9	-81.4	0	0	0	107.2	W211 M236 V309 A313 K323 Y326 M327 M330	W211-F311 HydrophobicContact CZ2-CE1 4.02Å; W211-F311 HydrophobicContact CZ2-CZ 4.01Å; M236-F311 HydrophobicContact CE-CD2 4.43Å; M236-F311 HydrophobicContact CE-CE2 3.74Å; M236-F311 HydrophobicContact CE-CZ 4.44Å; V309-F311 VanDerWaalsContact C-N 3.27Å; V309-F311 HydrophobicContact CG1-CD2 3.81Å; V309-F311 HydrophobicContact CG1-CE2 3.51Å; V309-F311 HydrophobicContact CG1-CZ 4.17Å; V309-F311 PolarHBondContact O-N 2.81Å; F311-A313 PolarHBondContact O-N 2.97Å; F311-K323 HydrophobicContact CB-CB 4.39Å; F311-K323 HydrophobicContact CB-CD 4.42Å; F311-K323 HydrophobicContact CB-CG 4.06Å; F311-K323 HydrophobicContact CD2-CB 4.01Å; F311-K323 HydrophobicContact CD2-CD 3.95Å; F311-K323 HydrophobicContact CD2-CG 4.15Å; F311-K323 HydrophobicContact CG-CB 4.37Å; F311-K323 HydrophobicContact CG-CG 4.46Å; F311-Y326 AromaticContact CD1-CD1 3.67Å; F311-Y326 HydrophobicContact CD1-CD1 3.67Å; F311-Y326 HydrophobicContact CD1-CE1 4.13Å; F311-Y326 HydrophobicContact CE1-CD1 4.38Å; F311-M327 HydrophobicContact CE2-CE 4.16Å; F311-M327 HydrophobicContact CZ-CE 3.75Å; F311-M330 HydrophobicContact CE1-SD 4.18Å
312	P	52.1	Low	66.5	Low	8 Å²	8	62.5 Å²	62.5	5%	0.052	32%	0.323	C	S	.	.	S	Bend	trans	-64.3	81	169.9	15.7	-14.1	0	0	0	109.4	N190 V206 Y326 N533	N190-P312 HydrophobicContact CB-CB 4.46Å; N190-P312 HydrophobicContact CB-CG 4.47Å; V206-P312 HydrophobicContact CG1-CG 4.22Å; P312-Y326 HydrophobicContact CG-CE1 4.24Å; P312-Y326 HydrophobicContact CG-CE2 3.88Å; P312-Y326 WeakPolarHBondContact CG-OH 3.5Å; P312-N533 WeakPolarHBondContact CA-OD1 2.88Å; P312-N533 WeakPolarHBondContact CB-OD1 3.36Å; P312-N533 WeakPolarHBondContact O-CA 3.38Å; P312-N533 PolarHBondContact O-OD1 3.37Å
313	A	51.8	Low	66.6	Low	13 Å²	13	63.3 Å²	63.3	11%	0.107	33%	0.327	C	S	.	.	S	Bend	trans	-165.1	101.7	176	0	0	0	0	0	109.6	F311 R322 K323	F311-A313 PolarHBondContact O-N 2.97Å; A313-R322 HydrophobicContact CB-CB 3.97Å; A313-K323 HydrophobicContact CB-CG 4.34Å
314	D	52.2	Low	66.9	Low	84 Å²	84	60.6 Å²	60.6	45%	0.449	31%	0.312	S	S	.	.			trans	22.4	138.5	166.9	-83.1	-19.7	0	0	0	123.1	L316 R322	D314-L316 PolarHBondContact O-N 3.19Å; D314-R322 IonicContact OD2-CZ 3.39Å; D314-R322 IonicContact OD2-NH1 2.71Å; D314-R322 PolarHBondContact OD2-NH1 3.26Å
315	G	50.3	Low	67.6	Low	79 Å²	79	57.3 Å²	57.3	81%	0.814	30%	0.295	S	S	*	.	S	Bend	trans	-66.7	18.5	-177.8	0	0	0	0	0	117.3	R317	G315-R317 PolarHBondContact O-N 3.47Å; G315-R317 VanDerWaalsContact O-N 3.11Å
316	L	51.8	Low	68.1	Low	127 Å²	127	56.4 Å²	56.4	67%	0.665	29%	0.291	S	S	*	.			trans	-80.1	93.7	169.5	-80.9	154.3	0	0	0	108.5	D314 H318 N319	D314-L316 PolarHBondContact O-N 3.19Å; L316-H318 PolarHBondContact O-N 2.94Å; L316-N319 PolarHBondContact O-N 3.12Å
317	R	55.7	Low	68.6	Low	199 Å²	199	56.4 Å²	56.4	75%	0.751	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.6	-20.2	-174.7	-75.5	-176.4	175.2	175.1	-0.7	115.2	H307 G315	H307-R317 PolarHBondContact CE1-O 2.95Å; H307-R317 PolarHBondContact ND1-O 3.22Å; G315-R317 PolarHBondContact O-N 3.47Å; G315-R317 VanDerWaalsContact O-N 3.11Å
318	H	60.7	Low	69.5	Low	167 Å²	167	53.6 Å²	53.6	77%	0.773	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	-16.9	-170.6	-59.2	-63.5	0	0	0	115.9	L316	L316-H318 PolarHBondContact O-N 2.94Å
319	N	73.9	Confident	70.6	Confident	74 Å²	74	48 Å²	48	40%	0.396	25%	0.249	S	C	.	.			trans	-100.6	103.7	-176.2	-167.4	-8.9	0	0	0	112	L316 R321	L316-N319 PolarHBondContact O-N 3.12Å; N319-R321 WeakPolarHBondContact OD1-CB 3.45Å; N319-R321 PolarHBondContact OD1-N 3.26Å
320	M	81.3	Confident	71.8	Confident	17 Å²	17	47.4 Å²	47.4	8%	0.084	25%	0.246	C	C	.	.			trans	-87.1	-5.3	-179.4	-61.8	-63.8	-166.5	0	0	113.7	M236 L306 H307 R322 K323 A324	M236-M320 HydrophobicContact CB-CB 3.95Å; M236-M320 HydrophobicContact CG-CB 4.27Å; M236-M320 WeakPolarHBondContact O-CB 3.36Å; L306-M320 HydrophobicContact CB-CE 3.78Å; H307-M320 WeakPolarHBondContact CE1-CE 3.48Å; H307-M320 WeakPolarHBondContact ND1-CE 3.24Å; M320-R322 PolarHBondContact O-N 2.7Å; M320-K323 WeakPolarHBondContact O-CB 3.33Å; M320-K323 PolarHBondContact O-N 3.36Å; M320-K323 VanDerWaalsContact O-N 3.09Å; M320-K323 HydrophobicContact SD-CD 3.77Å; M320-A324 PolarHBondContact O-N 3.41Å
321	R	86.9	Confident	73.3	Confident	41 Å²	41	42.6 Å²	42.6	16%	0.155	22%	0.221	C	C	.	.	H	α-helix	trans	-57.9	-45.8	-174.9	179	62.7	176.9	161.6	4.3	112.6	I238 E243 L247 N319 K323 A324 I325 F515	I238-R321 VanDerWaalsContact CD1-NH1 3.3Å; E243-R321 IonicContact OE1-CZ 2.79Å; E243-R321 IonicContact OE1-NH1 3.29Å; E243-R321 PolarHBondContact OE1-NH1 3.07Å; E243-R321 IonicContact OE1-NH2 3.96Å; E243-R321 PolarHBondContact OE1-NH2 2.86Å; L247-R321 VanDerWaalsContact CD1-NH1 3.34Å; N319-R321 WeakPolarHBondContact OD1-CB 3.45Å; N319-R321 PolarHBondContact OD1-N 3.26Å; R321-K323 VanDerWaalsContact C-N 3.32Å; R321-K323 PolarHBondContact O-N 3.4Å; R321-A324 WeakPolarHBondContact O-CB 3.31Å; R321-A324 PolarHBondContact O-N 3.25Å; R321-A324 VanDerWaalsContact O-N 3.16Å; R321-I325 HydrophobicContact CG-CD1 4.07Å; R321-I325 WeakPolarHBondContact O-CG1 3.49Å; R321-I325 PolarHBondContact O-N 3.09Å; R321-F515 PolarHBondContact NH2-O 2.7Å
322	R	86	Confident	74.8	Confident	29 Å²	29	42.3 Å²	42.3	11%	0.109	22%	0.219	C	C	.	.	H	α-helix	trans	-61	-40	176.8	-70.1	-168.4	-179.3	165.3	5.7	112.1	A313 D314 M320 A324 I325 Y326 D511 V512 I513	A313-R322 HydrophobicContact CB-CB 3.97Å; D314-R322 IonicContact OD2-CZ 3.39Å; D314-R322 IonicContact OD2-NH1 2.71Å; D314-R322 PolarHBondContact OD2-NH1 3.26Å; M320-R322 PolarHBondContact O-N 2.7Å; R322-A324 VanDerWaalsContact C-N 3.32Å; R322-A324 PolarHBondContact O-N 3.47Å; R322-I325 PolarHBondContact O-N 2.76Å; R322-Y326 WeakPolarHBondContact O-CB 3.34Å; R322-Y326 PolarHBondContact O-N 2.71Å; R322-D511 IonicContact CZ-OD1 3.58Å; R322-D511 IonicContact CZ-OD2 3.75Å; R322-D511 IonicContact NE-OD1 3.58Å; R322-D511 PolarHBondContact NE-OD1 3.31Å; R322-D511 VanDerWaalsContact NH2-CG 3.33Å; R322-D511 IonicContact NH2-OD1 3.67Å; R322-D511 PolarHBondContact NH2-OD1 3.14Å; R322-D511 IonicContact NH2-OD2 3.4Å; R322-D511 PolarHBondContact NH2-OD2 3.03Å; R322-V512 HydrophobicContact CG-CG1 3.99Å; R322-I513 HydrophobicContact CG-CD1 3.83Å; R322-I513 HydrophobicContact CG-CG1 3.56Å
323	K	82.4	Confident	76.5	Confident	17 Å²	17	42.7 Å²	42.7	7%	0.074	22%	0.22	C	C	.	.	H	α-helix	trans	-63.2	-39.9	175.3	-61.4	-172.3	173.4	-166	0	111.5	M236 L306 V309 F311 A313 M320 R321 Y326 M327	M236-K323 HydrophobicContact CE-CB 4.34Å; M236-K323 HydrophobicContact SD-CB 4.17Å; L306-K323 PolarHBondContact O-NZ 2.85Å; V309-K323 PolarHBondContact O-NZ 2.89Å; F311-K323 HydrophobicContact CB-CB 4.39Å; F311-K323 HydrophobicContact CB-CD 4.42Å; F311-K323 HydrophobicContact CB-CG 4.06Å; F311-K323 HydrophobicContact CD2-CB 4.01Å; F311-K323 HydrophobicContact CD2-CD 3.95Å; F311-K323 HydrophobicContact CD2-CG 4.15Å; F311-K323 HydrophobicContact CG-CB 4.37Å; F311-K323 HydrophobicContact CG-CG 4.46Å; A313-K323 HydrophobicContact CB-CG 4.34Å; M320-K323 WeakPolarHBondContact O-CB 3.33Å; M320-K323 PolarHBondContact O-N 3.36Å; M320-K323 VanDerWaalsContact O-N 3.09Å; M320-K323 HydrophobicContact SD-CD 3.77Å; R321-K323 VanDerWaalsContact C-N 3.32Å; R321-K323 PolarHBondContact O-N 3.4Å; K323-Y326 PolarHBondContact O-N 2.76Å; K323-M327 WeakPolarHBondContact O-CB 3.44Å; K323-M327 PolarHBondContact O-N 3.49Å
324	A	86.8	Confident	78.2	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.2	-42.7	176.5	0	0	0	0	0	112	F233 M236 I238 M320 R321 R322 Y326 M327 G328	F233-A324 HydrophobicContact CD1-CB 4.04Å; F233-A324 HydrophobicContact CE1-CB 4.05Å; F233-A324 VanDerWaalsContact CE1-O 3.24Å; F233-A324 WeakPolarHBondContact CE1-O 3.24Å; M236-A324 HydrophobicContact CB-CB 4.37Å; M236-A324 HydrophobicContact SD-CB 4Å; I238-A324 HydrophobicContact CD1-CB 3.43Å; I238-A324 VanDerWaalsContact CD1-CB 3.43Å; I238-A324 HydrophobicContact CG1-CB 4.18Å; M320-A324 PolarHBondContact O-N 3.41Å; R321-A324 WeakPolarHBondContact O-CB 3.31Å; R321-A324 PolarHBondContact O-N 3.25Å; R321-A324 VanDerWaalsContact O-N 3.16Å; R322-A324 VanDerWaalsContact C-N 3.32Å; R322-A324 PolarHBondContact O-N 3.47Å; A324-Y326 VanDerWaalsContact C-N 3.35Å; A324-Y326 PolarHBondContact O-N 3.44Å; A324-M327 WeakPolarHBondContact O-CB 3.18Å; A324-M327 PolarHBondContact O-N 3.1Å; A324-G328 PolarHBondContact O-N 2.8Å
325	I	89.1	Confident	79.8	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-61.8	-44.6	174.7	-63.9	163.8	0	0	0	110.6	L247 R321 R322 M327 G328 L329 V512 L520 Y527 I534	L247-I325 HydrophobicContact CD2-CG1 3.86Å; R321-I325 HydrophobicContact CG-CD1 4.07Å; R321-I325 WeakPolarHBondContact O-CG1 3.49Å; R321-I325 PolarHBondContact O-N 3.09Å; R322-I325 PolarHBondContact O-N 2.76Å; I325-M327 VanDerWaalsContact C-N 3.3Å; I325-M327 PolarHBondContact O-N 2.99Å; I325-G328 PolarHBondContact O-N 2.87Å; I325-G328 VanDerWaalsContact O-N 3.16Å; I325-L329 HydrophobicContact CG2-CD1 4.28Å; I325-L329 PolarHBondContact O-N 3.23Å; I325-V512 HydrophobicContact CD1-CG1 4.16Å; I325-V512 HydrophobicContact CD1-CG2 3.96Å; I325-V512 HydrophobicContact CG2-CG2 4.09Å; I325-L520 HydrophobicContact CG2-CD1 4.32Å; I325-Y527 HydrophobicContact CG2-CE1 4.41Å; I325-I534 HydrophobicContact CG2-CD1 4.36Å
326	Y	86.9	Confident	81.6	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.008	16%	0.159	C	C	.	.	H	α-helix	trans	-57.3	-44.6	174.7	-166.5	-86.2	0	0	0	111.9	M192 V206 F311 P312 R322 K323 A324 L329 M330 F529 G532 I534	M192-Y326 HydrophobicContact CE-CD1 3.78Å; M192-Y326 HydrophobicContact CE-CD2 3.63Å; M192-Y326 HydrophobicContact CE-CE1 3.5Å; M192-Y326 VanDerWaalsContact CE-CE1 3.5Å; M192-Y326 HydrophobicContact CE-CE2 3.3Å; M192-Y326 HydrophobicContact CE-CG 3.85Å; M192-Y326 HydrophobicContact CG-CE1 4.23Å; M192-Y326 WeakPolarHBondContact CG-OH 3.26Å; V206-Y326 HydrophobicContact CG1-CE1 4.28Å; V206-Y326 HydrophobicContact CG2-CE1 4.13Å; F311-Y326 AromaticContact CD1-CD1 3.67Å; F311-Y326 HydrophobicContact CD1-CD1 3.67Å; F311-Y326 HydrophobicContact CD1-CE1 4.13Å; F311-Y326 HydrophobicContact CE1-CD1 4.38Å; P312-Y326 HydrophobicContact CG-CE1 4.24Å; P312-Y326 HydrophobicContact CG-CE2 3.88Å; P312-Y326 WeakPolarHBondContact CG-OH 3.5Å; R322-Y326 WeakPolarHBondContact O-CB 3.34Å; R322-Y326 PolarHBondContact O-N 2.71Å; K323-Y326 PolarHBondContact O-N 2.76Å; A324-Y326 VanDerWaalsContact C-N 3.35Å; A324-Y326 PolarHBondContact O-N 3.44Å; Y326-L329 PolarHBondContact O-N 2.9Å; Y326-M330 HydrophobicContact CD1-CG 4.14Å; Y326-M330 HydrophobicContact CD1-SD 3.91Å; Y326-M330 HydrophobicContact CE1-CG 4.07Å; Y326-M330 HydrophobicContact CE1-SD 3.76Å; Y326-M330 WeakPolarHBondContact O-CG 3.48Å; Y326-M330 PolarHBondContact O-N 2.9Å; Y326-F529 HydrophobicContact CE2-CE1 4.18Å; Y326-G532 VanDerWaalsContact CE2-O 3.29Å; Y326-G532 WeakPolarHBondContact CE2-O 3.32Å; Y326-I534 HydrophobicContact CD2-CD1 3.49Å; Y326-I534 VanDerWaalsContact CD2-CD1 3.49Å; Y326-I534 HydrophobicContact CD2-CG1 3.82Å; Y326-I534 HydrophobicContact CE2-CD1 4.47Å; Y326-I534 HydrophobicContact CE2-CG1 4.45Å; Y326-I534 HydrophobicContact CG-CD1 4.09Å
327	M	85.1	Confident	83.3	Confident	2 Å²	2	29.7 Å²	29.7	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-62.2	-43.1	175.3	-177.7	178.2	-51.1	0	0	112.2	W211 L217 I229 M232 F233 M236 F311 K323 A324 I325 L329 M330 V331	W211-M327 HydrophobicContact CH2-CE 3.81Å; W211-M327 HydrophobicContact CH2-CG 3.5Å; W211-M327 VanDerWaalsContact CH2-CG 3.5Å; W211-M327 HydrophobicContact CH2-SD 3.7Å; W211-M327 HydrophobicContact CZ2-CE 4.48Å; W211-M327 HydrophobicContact CZ2-CG 4.41Å; W211-M327 HydrophobicContact CZ3-CG 3.95Å; W211-M327 HydrophobicContact CZ3-SD 4.23Å; L217-M327 HydrophobicContact CD1-SD 4.06Å; I229-M327 HydrophobicContact CD1-CG 4.22Å; I229-M327 HydrophobicContact CD1-SD 4.35Å; I229-M327 HydrophobicContact CG1-SD 4.12Å; M232-M327 HydrophobicContact CB-CE 4.12Å; M232-M327 HydrophobicContact CB-SD 3.93Å; F233-M327 HydrophobicContact CD2-SD 4.49Å; F233-M327 HydrophobicContact CE2-CG 4.37Å; F233-M327 HydrophobicContact CE2-SD 4.28Å; F233-M327 HydrophobicContact CZ-CB 4.32Å; F233-M327 HydrophobicContact CZ-CG 4.12Å; F233-M327 HydrophobicContact CZ-SD 4.39Å; M236-M327 HydrophobicContact CE-CE 3.21Å; M236-M327 HydrophobicContact SD-CE 3.79Å; F311-M327 HydrophobicContact CE2-CE 4.16Å; F311-M327 HydrophobicContact CZ-CE 3.75Å; K323-M327 WeakPolarHBondContact O-CB 3.44Å; K323-M327 PolarHBondContact O-N 3.49Å; A324-M327 WeakPolarHBondContact O-CB 3.18Å; A324-M327 PolarHBondContact O-N 3.1Å; I325-M327 VanDerWaalsContact C-N 3.3Å; I325-M327 PolarHBondContact O-N 2.99Å; M327-L329 VanDerWaalsContact C-N 3.29Å; M327-L329 PolarHBondContact O-N 2.91Å; M327-M330 WeakPolarHBondContact O-CB 3.4Å; M327-M330 PolarHBondContact O-N 2.81Å; M327-M330 VanDerWaalsContact O-N 3.16Å; M327-V331 WeakPolarHBondContact O-CG2 3.49Å; M327-V331 PolarHBondContact O-N 3.45Å; M327-V331 VanDerWaalsContact O-N 3.16Å
328	G	88.2	Confident	84.7	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-56.9	-43.6	174.6	0	0	0	0	0	112.1	L247 A324 I325 M330 V331 Q332	L247-G328 CarbonylContact O-C 3.42Å; A324-G328 PolarHBondContact O-N 2.8Å; I325-G328 PolarHBondContact O-N 2.87Å; I325-G328 VanDerWaalsContact O-N 3.16Å; G328-M330 PolarHBondContact O-N 2.74Å; G328-V331 WeakPolarHBondContact O-CB 3.27Å; G328-V331 PolarHBondContact O-N 3.5Å; G328-Q332 WeakPolarHBondContact O-CG 3.19Å; G328-Q332 PolarHBondContact O-N 2.86Å
329	L	88.2	Confident	86	Confident	12 Å²	12	19 Å²	19	6%	0.063	9%	0.091	C	C	.	.	H	α-helix	trans	-64.8	-37.3	176	-72.2	164.2	0	0	0	113.1	M192 I325 Y326 M327 V331 Q332 R333 Y527 F529 I534	M192-L329 HydrophobicContact CE-CB 4Å; I325-L329 HydrophobicContact CG2-CD1 4.28Å; I325-L329 PolarHBondContact O-N 3.23Å; Y326-L329 PolarHBondContact O-N 2.9Å; M327-L329 VanDerWaalsContact C-N 3.29Å; M327-L329 PolarHBondContact O-N 2.91Å; L329-V331 VanDerWaalsContact C-N 3.28Å; L329-V331 PolarHBondContact O-N 2.88Å; L329-Q332 PolarHBondContact O-N 3.36Å; L329-R333 WeakPolarHBondContact O-CG 3.19Å; L329-R333 PolarHBondContact O-N 2.99Å; L329-Y527 HydrophobicContact CD1-CD1 4.02Å; L329-Y527 HydrophobicContact CD1-CD2 4.42Å; L329-Y527 HydrophobicContact CD1-CE1 3.94Å; L329-Y527 HydrophobicContact CD1-CE2 4.35Å; L329-Y527 HydrophobicContact CD1-CG 4.25Å; L329-Y527 HydrophobicContact CD2-CD2 3.89Å; L329-Y527 HydrophobicContact CD2-CE1 4.33Å; L329-Y527 HydrophobicContact CD2-CE2 3.4Å; L329-Y527 VanDerWaalsContact CD2-CE2 3.4Å; L329-Y527 HydrophobicContact CG-CE2 4.42Å; L329-F529 HydrophobicContact CD1-CZ 4.16Å; L329-I534 HydrophobicContact CD1-CD1 3.51Å; L329-I534 HydrophobicContact CD1-CG1 4.43Å
330	M	86.7	Confident	86.6	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60	-41	174.2	-66.6	-177	70	0	0	111.6	M192 C204 V206 W211 F311 Y326 M327 G328 R333 I334	M192-M330 HydrophobicContact CE-CG 3.93Å; M192-M330 HydrophobicContact CG-CG 4.07Å; M192-M330 HydrophobicContact SD-CG 3.9Å; C204-M330 HydrophobicContact CB-CE 4.04Å; V206-M330 HydrophobicContact CB-CE 4.25Å; V206-M330 HydrophobicContact CG2-CE 3.57Å; V206-M330 HydrophobicContact CG2-SD 4.04Å; W211-M330 HydrophobicContact CD2-CE 4.1Å; W211-M330 HydrophobicContact CG-CE 3.94Å; W211-M330 HydrophobicContact CZ2-CE 4.36Å; W211-M330 HydrophobicContact CZ2-SD 4.13Å; F311-M330 HydrophobicContact CE1-SD 4.18Å; Y326-M330 HydrophobicContact CD1-CG 4.14Å; Y326-M330 HydrophobicContact CD1-SD 3.91Å; Y326-M330 HydrophobicContact CE1-CG 4.07Å; Y326-M330 HydrophobicContact CE1-SD 3.76Å; Y326-M330 WeakPolarHBondContact O-CG 3.48Å; Y326-M330 PolarHBondContact O-N 2.9Å; M327-M330 WeakPolarHBondContact O-CB 3.4Å; M327-M330 PolarHBondContact O-N 2.81Å; M327-M330 VanDerWaalsContact O-N 3.16Å; G328-M330 PolarHBondContact O-N 2.74Å; M330-R333 PolarHBondContact O-N 3.12Å; M330-I334 WeakPolarHBondContact O-CG1 3.4Å; M330-I334 PolarHBondContact O-N 2.69Å
331	V	86.5	Confident	86.8	Confident	9 Å²	9	22 Å²	22	6%	0.055	12%	0.12	C	C	.	.	H	α-helix	trans	-68.1	-47.1	177.7	-179.2	0	0	0	0	110.7	I229 M248 M327 G328 L329 R333 I334 I335	I229-V331 HydrophobicContact CD1-CB 4.37Å; I229-V331 HydrophobicContact CD1-CG2 2.98Å; I229-V331 HydrophobicContact CG1-CG2 4.39Å; M248-V331 HydrophobicContact CB-CG1 4.37Å; M248-V331 HydrophobicContact CG-CB 4.4Å; M248-V331 HydrophobicContact CG-CG1 4.21Å; M248-V331 HydrophobicContact SD-CG1 4.31Å; M327-V331 WeakPolarHBondContact O-CG2 3.49Å; M327-V331 PolarHBondContact O-N 3.45Å; M327-V331 VanDerWaalsContact O-N 3.16Å; G328-V331 WeakPolarHBondContact O-CB 3.27Å; G328-V331 PolarHBondContact O-N 3.5Å; L329-V331 VanDerWaalsContact C-N 3.28Å; L329-V331 PolarHBondContact O-N 2.88Å; V331-R333 PolarHBondContact O-N 3.24Å; V331-I334 PolarHBondContact O-N 3.38Å; V331-I334 VanDerWaalsContact O-N 3.08Å; V331-I335 HydrophobicContact CG1-CD1 3.7Å; V331-I335 HydrophobicContact CG1-CG1 4.22Å; V331-I335 WeakPolarHBondContact O-CG1 3.48Å; V331-I335 PolarHBondContact O-N 3.2Å
332	Q	87.8	Confident	86.8	Confident	7 Å²	7	20.6 Å²	20.6	3%	0.033	12%	0.117	C	C	.	.	H	α-helix	trans	-53.3	-44.1	175.9	-77.3	-179.3	-3.3	0	0	110.8	L247 M248 Y254 G328 L329 I335 Q336	L247-Q332 PolarHBondContact O-NE2 3.21Å; M248-Q332 WeakPolarHBondContact O-CG 3.38Å; Y254-Q332 HydrophobicContact CD1-CG 4.4Å; Y254-Q332 HydrophobicContact CE1-CB 4.27Å; Y254-Q332 HydrophobicContact CE1-CG 4.24Å; G328-Q332 WeakPolarHBondContact O-CG 3.19Å; G328-Q332 PolarHBondContact O-N 2.86Å; L329-Q332 PolarHBondContact O-N 3.36Å; Q332-I335 PolarHBondContact O-N 2.91Å; Q332-Q336 WeakPolarHBondContact O-CB 3.49Å; Q332-Q336 WeakPolarHBondContact O-CG 3.26Å; Q332-Q336 PolarHBondContact O-N 3.04Å
333	R	87.7	Confident	86.9	Confident	16 Å²	16	23.6 Å²	23.6	6%	0.06	14%	0.142	C	C	.	.	H	α-helix	trans	-65.3	-39.8	178.3	-70.8	-166.3	73	-149.7	-10.6	113.1	M192 V194 L329 M330 V331 T337 D345 H569	M192-R333 PolarHBondContact O-NH1 3.5Å; V194-R333 HydrophobicContact CG2-CB 3.97Å; L329-R333 WeakPolarHBondContact O-CG 3.19Å; L329-R333 PolarHBondContact O-N 2.99Å; M330-R333 PolarHBondContact O-N 3.12Å; V331-R333 PolarHBondContact O-N 3.24Å; R333-T337 WeakPolarHBondContact O-CG2 3.35Å; R333-T337 PolarHBondContact O-N 2.84Å; R333-T337 VanDerWaalsContact O-N 3.1Å; R333-T337 PolarHBondContact O-OG1 3.31Å; R333-D345 IonicContact CZ-OD2 2.69Å; R333-D345 IonicContact NH1-OD2 2.61Å; R333-D345 IonicContact NH2-OD1 3.24Å; R333-D345 PolarHBondContact NH2-OD1 3.24Å; R333-D345 IonicContact NH2-OD2 3.74Å; R333-D345 PolarHBondContact NH2-OD2 2.93Å; R333-H569 PolarHBondContact NE-CE1 2.69Å; R333-H569 VanDerWaalsContact NE-CE1 3.3Å; R333-H569 PolarHBondContact NE-NE2 3.25Å; R333-H569 PolarHBondContact NH2-CE1 3.21Å; R333-H569 PolarHBondContact NH2-NE2 2.98Å; R333-H569 VanDerWaalsContact NH2-NE2 3.19Å
334	I	87.3	Confident	87.2	Confident	5 Å²	5	26.8 Å²	26.8	3%	0.026	15%	0.154	C	C	.	.	H	α-helix	trans	-62.2	-49	174.2	-65.4	168.9	0	0	0	109.9	P202 C204 W211 L214 M330 V331 Q336 T337 E338	P202-I334 HydrophobicContact CB-CG2 4.26Å; P202-I334 HydrophobicContact CG-CG2 3.96Å; C204-I334 HydrophobicContact CB-CD1 3.72Å; C204-I334 HydrophobicContact CB-CG1 3.77Å; W211-I334 HydrophobicContact CB-CD1 4.26Å; L214-I334 HydrophobicContact CD2-CB 4.41Å; L214-I334 HydrophobicContact CD2-CG2 3.84Å; L214-I334 HydrophobicContact CG-CG2 3.95Å; M330-I334 WeakPolarHBondContact O-CG1 3.4Å; M330-I334 PolarHBondContact O-N 2.69Å; V331-I334 PolarHBondContact O-N 3.38Å; V331-I334 VanDerWaalsContact O-N 3.08Å; I334-Q336 PolarHBondContact O-N 2.84Å; I334-T337 PolarHBondContact O-N 3.09Å; I334-T337 VanDerWaalsContact O-N 3.17Å; I334-T337 PolarHBondContact O-OG1 2.97Å; I334-E338 PolarHBondContact O-N 3.08Å
335	I	87.6	Confident	87.4	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.2	-46	179.3	-66	174.7	0	0	0	110.8	L214 Y254 H257 V331 Q332 T337 E338 I339	L214-I335 HydrophobicContact CD2-CD1 4.1Å; L214-I335 HydrophobicContact CD2-CG1 3.32Å; Y254-I335 HydrophobicContact CD1-CB 3.87Å; Y254-I335 HydrophobicContact CD1-CD1 3.96Å; Y254-I335 HydrophobicContact CD1-CG2 3.45Å; Y254-I335 VanDerWaalsContact CD1-CG2 3.45Å; Y254-I335 HydrophobicContact CD2-CG2 4.43Å; Y254-I335 HydrophobicContact CE1-CB 4.12Å; Y254-I335 HydrophobicContact CE1-CG2 3.83Å; Y254-I335 HydrophobicContact CG-CG2 3.81Å; H257-I335 HydrophobicContact CB-CD1 4.01Å; H257-I335 HydrophobicContact CB-CG1 3.98Å; V331-I335 HydrophobicContact CG1-CD1 3.7Å; V331-I335 HydrophobicContact CG1-CG1 4.22Å; V331-I335 WeakPolarHBondContact O-CG1 3.48Å; V331-I335 PolarHBondContact O-N 3.2Å; Q332-I335 PolarHBondContact O-N 2.91Å; I335-T337 PolarHBondContact O-N 3.28Å; I335-E338 PolarHBondContact O-N 3.3Å; I335-I339 HydrophobicContact CG2-CD1 3.41Å; I335-I339 VanDerWaalsContact CG2-CD1 3.41Å; I335-I339 HydrophobicContact CG2-CG1 4.07Å; I335-I339 VanDerWaalsContact O-CG1 3.32Å; I335-I339 WeakPolarHBondContact O-CG1 3.37Å; I335-I339 PolarHBondContact O-N 3.07Å
336	Q	87.9	Confident	87.3	Confident	15 Å²	15	31.6 Å²	31.6	7%	0.07	18%	0.18	C	C	.	.	H	α-helix	trans	-56.1	-39.9	176.7	-78.1	167.9	-5.5	0	0	112.2	Y254 Q332 I334 G340 L341 C342	Y254-Q336 HydrophobicContact CE1-CG 4.01Å; Y254-Q336 WeakPolarHBondContact OH-CG 3.48Å; Y254-Q336 PolarHBondContact OH-NE2 3.03Å; Y254-Q336 VanDerWaalsContact OH-NE2 3.14Å; Q332-Q336 WeakPolarHBondContact O-CB 3.49Å; Q332-Q336 WeakPolarHBondContact O-CG 3.26Å; Q332-Q336 PolarHBondContact O-N 3.04Å; I334-Q336 PolarHBondContact O-N 2.84Å; Q336-G340 PolarHBondContact O-N 3.32Å; Q336-L341 HydrophobicContact CB-CB 4.34Å; Q336-L341 HydrophobicContact CG-CD1 4.24Å; Q336-L341 PolarHBondContact O-N 2.96Å; Q336-C342 HydrophobicContact CB-CB 4.43Å; Q336-C342 PolarHBondContact O-N 3.35Å
337	T	87.4	Confident	87.3	Confident	11 Å²	11	34.6 Å²	34.6	7%	0.067	20%	0.2	C	C	.	.	H	α-helix	trans	-72.6	-33.6	176.1	58.1	0	0	0	0	113.4	V194 R333 I334 I335 G340 C342	V194-T337 HydrophobicContact CB-CG2 4.23Å; V194-T337 HydrophobicContact CG1-CG2 3.83Å; V194-T337 WeakPolarHBondContact CG1-OG1 3.23Å; R333-T337 WeakPolarHBondContact O-CG2 3.35Å; R333-T337 PolarHBondContact O-N 2.84Å; R333-T337 VanDerWaalsContact O-N 3.1Å; R333-T337 PolarHBondContact O-OG1 3.31Å; I334-T337 PolarHBondContact O-N 3.09Å; I334-T337 VanDerWaalsContact O-N 3.17Å; I334-T337 PolarHBondContact O-OG1 2.97Å; I335-T337 PolarHBondContact O-N 3.28Å; T337-G340 PolarHBondContact O-N 3.37Å; T337-C342 WeakPolarHBondContact CA-O 3.42Å; T337-C342 HydrophobicContact CG2-CB 3.96Å
338	E	85.4	Confident	87.5	Confident	77 Å²	77	35.5 Å²	35.5	36%	0.36	21%	0.205	S	C	.	.	H	α-helix	trans	-70.9	-40.9	175.5	-76.6	-157.4	179	0	0	112.7	P202 L214 H257 I334 I335 G340	P202-E338 WeakPolarHBondContact CD-OE1 3.49Å; P202-E338 HydrophobicContact CG-CG 3.64Å; P202-E338 WeakPolarHBondContact CG-OE1 3.47Å; L214-E338 HydrophobicContact CD1-CG 4.33Å; L214-E338 WeakPolarHBondContact CD1-OE1 3.35Å; L214-E338 WeakPolarHBondContact CD1-OE2 3.3Å; H257-E338 IonicContact CD2-OE2 2.89Å; H257-E338 PolarHBondContact CD2-OE2 3.33Å; H257-E338 VanDerWaalsContact CD2-OE2 3.32Å; H257-E338 IonicContact NE2-OE2 2.65Å; I334-E338 PolarHBondContact O-N 3.08Å; I335-E338 PolarHBondContact O-N 3.3Å; E338-G340 PolarHBondContact O-N 3.21Å
339	I	87.3	Confident	87.7	Confident	64 Å²	64	37.2 Å²	37.2	33%	0.328	21%	0.212	S	C	.	.	H	α-helix	trans	-66.6	-22.2	174.8	-62.7	169.4	0	0	0	110.8	A253 Y254 I335 L341	A253-I339 HydrophobicContact CB-CD1 3.6Å; A253-I339 HydrophobicContact CB-CG1 4.41Å; Y254-I339 HydrophobicContact CD2-CD1 4.33Å; Y254-I339 HydrophobicContact CE2-CD1 4.29Å; I335-I339 HydrophobicContact CG2-CD1 3.41Å; I335-I339 VanDerWaalsContact CG2-CD1 3.41Å; I335-I339 HydrophobicContact CG2-CG1 4.07Å; I335-I339 VanDerWaalsContact O-CG1 3.32Å; I335-I339 WeakPolarHBondContact O-CG1 3.37Å; I335-I339 PolarHBondContact O-N 3.07Å; I339-L341 HydrophobicContact CB-CG 4.46Å; I339-L341 HydrophobicContact CG2-CD1 4.37Å; I339-L341 HydrophobicContact CG2-CG 4.03Å
340	G	86	Confident	87.9	Confident	58 Å²	58	37.1 Å²	37.1	60%	0.598	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.3	16.4	-178.3	0	0	0	0	0	114.2	Q336 T337 E338 C342	Q336-G340 PolarHBondContact O-N 3.32Å; T337-G340 PolarHBondContact O-N 3.37Å; E338-G340 PolarHBondContact O-N 3.21Å; G340-C342 VanDerWaalsContact C-N 3.35Å
341	L	86.2	Confident	88.2	Confident	96 Å²	96	37.2 Å²	37.2	50%	0.503	21%	0.212	S	C	.	.	S	Bend	trans	-70.8	-31.9	172.4	-67.1	174.2	0	0	0	112.1	Q336 I339	Q336-L341 HydrophobicContact CB-CB 4.34Å; Q336-L341 HydrophobicContact CG-CD1 4.24Å; Q336-L341 PolarHBondContact O-N 2.96Å; I339-L341 HydrophobicContact CB-CG 4.46Å; I339-L341 HydrophobicContact CG2-CD1 4.37Å; I339-L341 HydrophobicContact CG2-CG 4.03Å
342	C	85.6	Confident	88.5	Confident	12 Å²	12	37 Å²	37	8%	0.081	21%	0.211	C	C	.	.	S	Bend	trans	-126.8	146.1	177.9	-72.1	0	0	0	0	110.4	Q336 T337 G340	Q336-C342 HydrophobicContact CB-CB 4.43Å; Q336-C342 PolarHBondContact O-N 3.35Å; T337-C342 WeakPolarHBondContact CA-O 3.42Å; T337-C342 HydrophobicContact CG2-CB 3.96Å; G340-C342 VanDerWaalsContact C-N 3.35Å
343	S	89	Confident	88.6	Confident	92 Å²	92	37.3 Å²	37.3	64%	0.643	21%	0.212	S	C	*	.	P	Polyproline II helix	trans	-76.3	160.1	167.7	57.4	0	0	0	0	111
344	Y	89.6	Confident	88.8	Confident	83 Å²	83	38 Å²	38	33%	0.325	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-58.5	145.3	166.6	-65.5	-77.9	0	0	0	111	V194 K196 P202	V194-Y344 HydrophobicContact CG1-CD1 4.28Å; K196-Y344 HydrophobicContact CB-CD1 4.18Å; K196-Y344 HydrophobicContact CB-CE1 3.83Å; K196-Y344 HydrophobicContact CB-CE2 4.49Å; K196-Y344 HydrophobicContact CD-CE2 4.02Å; K196-Y344 HydrophobicContact CG-CE1 4.39Å; P202-Y344 HydrophobicContact CB-CE1 3.97Å
345	D	89.5	Confident	89.1	Confident	33 Å²	33	38 Å²	38	18%	0.176	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-74.3	129.5	177.2	-68.7	-42.6	0	0	0	109.8	L193 V194 R333 P347	L193-D345 WeakPolarHBondContact CA-OD2 3.46Å; L193-D345 HydrophobicContact CD2-CB 4.2Å; V194-D345 PolarHBondContact N-OD2 2.9Å; V194-D345 PolarHBondContact O-N 3.28Å; R333-D345 IonicContact CZ-OD2 2.69Å; R333-D345 IonicContact NH1-OD2 2.61Å; R333-D345 IonicContact NH2-OD1 3.24Å; R333-D345 PolarHBondContact NH2-OD1 3.24Å; R333-D345 IonicContact NH2-OD2 3.74Å; R333-D345 PolarHBondContact NH2-OD2 2.93Å; D345-P347 VanDerWaalsContact O-CD 3.27Å; D345-P347 WeakPolarHBondContact O-CD 3.42Å
346	D	88	Confident	89.3	Confident	69 Å²	69	38.9 Å²	38.9	37%	0.369	22%	0.219	S	C	.	.			trans	-77.3	114.8	173.2	-176.4	8.3	0	0	0	110.2	D348 F349 N352	D346-D348 PolarHBondContact O-N 2.87Å; D346-D348 WeakPolarHBondContact OD1-CB 3.19Å; D346-D348 PolarHBondContact OD1-N 3.27Å; D346-F349 HydrophobicContact CB-CB 4.43Å; D346-F349 WeakPolarHBondContact O-CB 3.33Å; D346-F349 PolarHBondContact O-N 2.82Å; D346-N352 PolarHBondContact O-ND2 2.79Å
347	P	86.6	Confident	89.5	Confident	65 Å²	65	38.4 Å²	38.4	42%	0.422	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-17.8	174.5	29.1	-36.6	0	0	0	112.4	L187 D345 K353	L187-P347 HydrophobicContact CD2-CB 4.15Å; L187-P347 WeakPolarHBondContact CD2-O 3.12Å; D345-P347 VanDerWaalsContact O-CD 3.27Å; D345-P347 WeakPolarHBondContact O-CD 3.42Å; P347-K353 WeakPolarHBondContact O-CE 3.49Å
348	D	89.4	Confident	89.7	Confident	22 Å²	22	37.9 Å²	37.9	12%	0.118	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-13.7	-180	-74.2	-41.1	0	0	0	114.8	D346 Y350 K353 G456 P457 Q461	D346-D348 PolarHBondContact O-N 2.87Å; D346-D348 WeakPolarHBondContact OD1-CB 3.19Å; D346-D348 PolarHBondContact OD1-N 3.27Å; D348-Y350 PolarHBondContact O-N 2.88Å; D348-K353 IonicContact OD1-NZ 3.99Å; D348-K353 PolarHBondContact OD1-NZ 3.36Å; D348-G456 VanDerWaalsContact OD2-C 3.26Å; D348-P457 WeakPolarHBondContact OD1-CA 3.47Å; D348-P457 WeakPolarHBondContact OD1-CB 3.43Å; D348-P457 VanDerWaalsContact OD2-CA 3.24Å; D348-P457 WeakPolarHBondContact OD2-CA 3.37Å; D348-P457 VanDerWaalsContact OD2-N 3.1Å; D348-Q461 HydrophobicContact CB-CG 4.15Å
349	F	93	Very high	89.9	Confident	36 Å²	36	34.2 Å²	34.2	16%	0.158	20%	0.196	C	C	.	.	S	Bend	trans	-60.6	126.2	172.5	-179.5	-108.5	0	0	0	111.2	D346 G351 N352 S463 V624 N628	D346-F349 HydrophobicContact CB-CB 4.43Å; D346-F349 WeakPolarHBondContact O-CB 3.33Å; D346-F349 PolarHBondContact O-N 2.82Å; F349-G351 VanDerWaalsContact C-N 3.28Å; F349-G351 VanDerWaalsContact CE1-CA 3.5Å; F349-G351 PolarHBondContact O-N 3.03Å; F349-N352 WeakPolarHBondContact O-CB 3.34Å; F349-N352 PolarHBondContact O-N 3.38Å; F349-S463 VanDerWaalsContact CD2-CB 3.43Å; F349-V624 HydrophobicContact CE1-CG1 4.38Å; F349-V624 HydrophobicContact CE2-CG1 3.95Å; F349-V624 HydrophobicContact CZ-CG1 3.7Å; F349-N628 WeakPolarHBondContact CZ-ND2 3.21Å
350	Y	92.5	Very high	89.9	Confident	9 Å²	9	32.9 Å²	32.9	4%	0.035	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-67.7	-24	-171	-98.2	-106.4	0	0	0	114.6	D348 N352 K353 S463 Q464 L468 K483 L581	D348-Y350 PolarHBondContact O-N 2.88Å; Y350-N352 PolarHBondContact O-N 2.78Å; Y350-K353 HydrophobicContact CD2-CD 4.23Å; Y350-K353 HydrophobicContact CE2-CD 4.17Å; Y350-K353 PolarHBondContact O-N 3.3Å; Y350-S463 PolarHBondContact N-OG 3.36Å; Y350-Q464 HydrophobicContact CD2-CG 3.53Å; Y350-Q464 HydrophobicContact CE2-CG 3.43Å; Y350-Q464 VanDerWaalsContact CE2-CG 3.43Å; Y350-Q464 VanDerWaalsContact CE2-NE2 3.31Å; Y350-Q464 HydrophobicContact CG-CG 4.16Å; Y350-L468 HydrophobicContact CD1-CD1 4.34Å; Y350-L468 HydrophobicContact CE1-CD1 3.35Å; Y350-L468 HydrophobicContact CE1-CG 4.1Å; Y350-L468 HydrophobicContact CE2-CD1 4.25Å; Y350-L468 WeakPolarHBondContact OH-CD1 3.41Å; Y350-K483 WeakPolarHBondContact OH-CD 3.49Å; Y350-K483 WeakPolarHBondContact OH-CE 3.42Å; Y350-K483 PolarHBondContact OH-NZ 2.96Å; Y350-L581 HydrophobicContact CD1-CD1 3.7Å; Y350-L581 HydrophobicContact CE1-CD1 4.04Å
351	G	92.1	Very high	90	Very high	2 Å²	2	30.1 Å²	30.1	2%	0.021	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-65.7	-20.2	171.1	0	0	0	0	0	113.8	R191 F349 R354 N625	R191-G351 PolarHBondContact NH1-O 3.07Å; F349-G351 VanDerWaalsContact C-N 3.28Å; F349-G351 VanDerWaalsContact CE1-CA 3.5Å; F349-G351 PolarHBondContact O-N 3.03Å; G351-R354 PolarHBondContact O-NH1 2.91Å; G351-N625 WeakPolarHBondContact CA-OD1 3.48Å
352	N	91.8	Very high	90.2	Very high	6 Å²	6	26 Å²	26	3%	0.032	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-86.9	-8.8	172.8	-65.1	-25.7	0	0	0	112.7	S188 R191 L193 D346 F349 Y350	S188-N352 WeakPolarHBondContact CB-O 3.11Å; S188-N352 PolarHBondContact N-O 2.85Å; R191-N352 VanDerWaalsContact CD-OD1 3.31Å; R191-N352 WeakPolarHBondContact CD-OD1 3.39Å; R191-N352 PolarHBondContact NE-OD1 2.8Å; R191-N352 PolarHBondContact NH1-OD1 3.33Å; L193-N352 HydrophobicContact CD2-CB 4.27Å; D346-N352 PolarHBondContact O-ND2 2.79Å; F349-N352 WeakPolarHBondContact O-CB 3.34Å; F349-N352 PolarHBondContact O-N 3.38Å; Y350-N352 PolarHBondContact O-N 2.78Å
353	K	91.9	Very high	90.3	Very high	13 Å²	13	26.1 Å²	26.1	6%	0.057	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	155.9	-178.7	-63.1	177.5	172.3	-177.1	0	110.9	E185 Q186 L187 P347 D348 Y350	E185-K353 HydrophobicContact CG-CB 4.45Å; E185-K353 HydrophobicContact CG-CD 4.02Å; E185-K353 WeakPolarHBondContact OE1-CD 3.48Å; E185-K353 WeakPolarHBondContact OE1-CE 3.5Å; E185-K353 IonicContact OE1-NZ 3.41Å; E185-K353 PolarHBondContact OE1-NZ 3.26Å; Q186-K353 CarbonylContact O-C 3.59Å; Q186-K353 WeakPolarHBondContact O-CA 3.24Å; L187-K353 HydrophobicContact CD2-CG 4.29Å; P347-K353 WeakPolarHBondContact O-CE 3.49Å; D348-K353 IonicContact OD1-NZ 3.99Å; D348-K353 PolarHBondContact OD1-NZ 3.36Å; Y350-K353 HydrophobicContact CD2-CD 4.23Å; Y350-K353 HydrophobicContact CE2-CD 4.17Å; Y350-K353 PolarHBondContact O-N 3.3Å
354	R	91.9	Very high	90.2	Very high	29 Å²	29	23.2 Å²	23.2	11%	0.109	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	145.6	175.1	-65.4	-64.2	-176.6	-92.7	6	109.3	Q186 G351 D577 G579 R580	Q186-R354 PolarHBondContact N-O 3.37Å; Q186-R354 PolarHBondContact O-N 3.27Å; G351-R354 PolarHBondContact O-NH1 2.91Å; R354-D577 IonicContact CZ-OD1 3.61Å; R354-D577 IonicContact CZ-OD2 3.77Å; R354-D577 IonicContact NE-OD1 3.08Å; R354-D577 IonicContact NE-OD2 3.36Å; R354-D577 PolarHBondContact NE-OD2 3.43Å; R354-D577 IonicContact NH2-OD1 2.81Å; R354-D577 PolarHBondContact NH2-OD1 3.17Å; R354-D577 IonicContact NH2-OD2 3.03Å; R354-D577 PolarHBondContact NH2-OD2 3.34Å; R354-D577 VanDerWaalsContact NH2-OD2 3.12Å; R354-G579 CarbonylContact C-O 3.58Å; R354-G579 WeakPolarHBondContact CA-O 3.34Å; R354-R580 VanDerWaalsContact CZ-CG 3.43Å
355	L	93.5	Very high	90.1	Very high	7 Å²	7	19.7 Å²	19.7	4%	0.037	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	114.9	178.4	-61.3	-171.4	0	0	0	109.8	I183 Q184 E185 L357 I444 L485 I491 G579 L581	I183-L355 HydrophobicContact CG2-CB 3.71Å; I183-L355 HydrophobicContact CG2-CD1 4.07Å; I183-L355 HydrophobicContact CG2-CD2 4.26Å; I183-L355 HydrophobicContact CG2-CG 4.23Å; Q184-L355 WeakPolarHBondContact O-CA 3.44Å; E185-L355 HydrophobicContact CB-CD2 4.03Å; E185-L355 HydrophobicContact CG-CD2 4.37Å; L355-L357 PolarHBondContact O-N 2.83Å; L355-I444 HydrophobicContact CD1-CD1 3.72Å; L355-I444 HydrophobicContact CD1-CG1 4.39Å; L355-I444 HydrophobicContact CD2-CD1 4.32Å; L355-I444 HydrophobicContact CD2-CG2 3.88Å; L355-L485 HydrophobicContact CD1-CD2 4.46Å; L355-I491 HydrophobicContact CB-CG2 4.43Å; L355-I491 HydrophobicContact CD1-CD1 3.7Å; L355-I491 HydrophobicContact CD1-CG1 4.38Å; L355-G579 PolarHBondContact N-O 3.42Å; L355-G579 VanDerWaalsContact O-CA 3.32Å; L355-G579 WeakPolarHBondContact O-CA 3.31Å; L355-L581 HydrophobicContact CD1-CD1 4.34Å; L355-L581 HydrophobicContact CD1-CD2 3.38Å; L355-L581 HydrophobicContact CD1-CG 4.05Å; L355-L581 HydrophobicContact CG-CD2 4.33Å
356	E	90.8	Very high	90	Very high	17 Å²	17	18.5 Å²	18.5	8%	0.079	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	116	169.5	-71.1	-176.3	169.3	0	0	109	Q184 Q186 K189 L361 R422	Q184-E356 HydrophobicContact CB-CB 4.48Å; Q184-E356 PolarHBondContact N-O 2.88Å; Q184-E356 PolarHBondContact O-N 2.87Å; Q186-E356 HydrophobicContact CG-CG 4.36Å; Q186-E356 PolarHBondContact NE2-OE1 2.88Å; Q186-E356 VanDerWaalsContact NE2-OE1 3.17Å; Q186-E356 PolarHBondContact NE2-OE2 3.27Å; Q186-E356 PolarHBondContact OE1-OE1 3.17Å; Q186-E356 VanDerWaalsContact OE1-OE1 3.04Å; K189-E356 IonicContact NZ-OE1 2.63Å; K189-E356 PolarHBondContact NZ-OE1 3.01Å; E356-L361 HydrophobicContact CB-CD2 4.14Å; E356-L361 HydrophobicContact CB-CG 4.32Å; E356-L361 WeakPolarHBondContact OE2-CD2 3.47Å; E356-R422 IonicContact OE1-NH2 3.86Å; E356-R422 IonicContact OE2-CZ 3.33Å; E356-R422 IonicContact OE2-NH1 2.96Å; E356-R422 PolarHBondContact OE2-NH1 3.12Å; E356-R422 IonicContact OE2-NH2 2.79Å; E356-R422 PolarHBondContact OE2-NH2 3.15Å
357	L	92.4	Very high	89.9	Confident	6 Å²	6	18.7 Å²	18.7	3%	0.031	10%	0.1	C	C	.	.			trans	-86.5	171.6	178.4	-65.2	176.5	0	0	0	112	S53 I183 L355 G359 S360 L361 I491	S53-L357 VanDerWaalsContact OG-CB 3.3Å; S53-L357 WeakPolarHBondContact OG-CB 3Å; I183-L357 HydrophobicContact CD1-CD2 3.95Å; I183-L357 HydrophobicContact CG1-CD2 3.9Å; I183-L357 HydrophobicContact CG2-CD2 4.09Å; L355-L357 PolarHBondContact O-N 2.83Å; L357-G359 VanDerWaalsContact C-N 3.35Å; L357-G359 PolarHBondContact O-N 3.21Å; L357-S360 PolarHBondContact N-OG 3.23Å; L357-S360 VanDerWaalsContact N-OG 3.08Å; L357-S360 PolarHBondContact O-N 3.36Å; L357-S360 PolarHBondContact O-OG 3.1Å; L357-L361 WeakPolarHBondContact O-CG 3.42Å; L357-L361 PolarHBondContact O-N 2.79Å; L357-L361 VanDerWaalsContact O-N 3.11Å; L357-I491 HydrophobicContact CD1-CB 4.16Å; L357-I491 HydrophobicContact CD1-CG2 3.74Å; L357-I491 HydrophobicContact CD2-CD1 3.74Å; L357-I491 HydrophobicContact CD2-CG2 4.25Å; L357-I491 HydrophobicContact CG-CG2 4.1Å
358	A	90.6	Very high	89.9	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-54.5	-44.5	-179	0	0	0	0	0	113.7	M142 I181 L361 I362	M142-A358 HydrophobicContact CE-CB 3.81Å; I181-A358 HydrophobicContact CB-CB 3.91Å; I181-A358 HydrophobicContact CD1-CB 4.17Å; I181-A358 HydrophobicContact CG2-CB 4.01Å; A358-L361 PolarHBondContact O-N 3.07Å; A358-I362 WeakPolarHBondContact O-CD1 3.25Å; A358-I362 WeakPolarHBondContact O-CG1 3.46Å; A358-I362 PolarHBondContact O-N 3.04Å
359	G	90.3	Very high	89.9	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.3	-52.1	178.7	0	0	0	0	0	112	S53 L357 L361 I362 A363	S53-G359 WeakPolarHBondContact OG-CA 3.42Å; S53-G359 PolarHBondContact OG-N 3.46Å; S53-G359 VanDerWaalsContact OG-N 3.15Å; L357-G359 VanDerWaalsContact C-N 3.35Å; L357-G359 PolarHBondContact O-N 3.21Å; G359-L361 VanDerWaalsContact C-N 3.27Å; G359-L361 PolarHBondContact O-N 3.39Å; G359-I362 PolarHBondContact O-N 2.9Å; G359-I362 VanDerWaalsContact O-N 3.1Å; G359-A363 WeakPolarHBondContact O-CB 3.34Å; G359-A363 PolarHBondContact O-N 3.22Å
360	S	87.6	Confident	89.6	Confident	35 Å²	35	14.9 Å²	14.9	25%	0.245	8%	0.077	C	C	.	.	H	α-helix	trans	-58.2	-36.9	179.1	68.1	0	0	0	0	113.4	L357 A363 I364	L357-S360 PolarHBondContact N-OG 3.23Å; L357-S360 VanDerWaalsContact N-OG 3.08Å; L357-S360 PolarHBondContact O-N 3.36Å; L357-S360 PolarHBondContact O-OG 3.1Å; S360-A363 WeakPolarHBondContact O-CB 3.44Å; S360-I364 WeakPolarHBondContact O-CG1 3.46Å; S360-I364 PolarHBondContact O-N 3.34Å
361	L	87.9	Confident	89.3	Confident	1 Å²	1	18.3 Å²	18.3	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-67.3	-50.9	175.7	-68.2	170.4	0	0	0	110.5	I181 Q184 E356 L357 A358 G359 A363 I364 L365 W413 V425	I181-L361 HydrophobicContact CG2-CD1 3.63Å; Q184-L361 HydrophobicContact CG-CD1 4.16Å; E356-L361 HydrophobicContact CB-CD2 4.14Å; E356-L361 HydrophobicContact CB-CG 4.32Å; E356-L361 WeakPolarHBondContact OE2-CD2 3.47Å; L357-L361 WeakPolarHBondContact O-CG 3.42Å; L357-L361 PolarHBondContact O-N 2.79Å; L357-L361 VanDerWaalsContact O-N 3.11Å; A358-L361 PolarHBondContact O-N 3.07Å; G359-L361 VanDerWaalsContact C-N 3.27Å; G359-L361 PolarHBondContact O-N 3.39Å; L361-A363 PolarHBondContact O-N 3.47Å; L361-I364 PolarHBondContact O-N 2.9Å; L361-L365 PolarHBondContact O-N 3.36Å; L361-W413 HydrophobicContact CB-CH2 4.44Å; L361-W413 HydrophobicContact CB-CZ3 4.18Å; L361-W413 WeakPolarHBondContact O-CZ3 3.41Å; L361-V425 HydrophobicContact CD1-CG1 4.02Å
362	I	89.5	Confident	89.1	Confident	8 Å²	8	24.8 Å²	24.8	4%	0.041	12%	0.116	C	C	.	.	H	α-helix	trans	-56.7	-39.4	177.5	-64.9	162	0	0	0	110.9	F54 F57 L139 F172 I181 A358 G359 I364 L365 F366 L408 W413	F54-I362 HydrophobicContact CD2-CD1 3.81Å; F54-I362 HydrophobicContact CE2-CD1 3.93Å; F57-I362 HydrophobicContact CD1-CG2 4.07Å; F57-I362 HydrophobicContact CE1-CB 4.34Å; F57-I362 HydrophobicContact CE1-CG2 3.45Å; F57-I362 VanDerWaalsContact CE1-CG2 3.45Å; F57-I362 HydrophobicContact CE2-CG2 4.26Å; F57-I362 HydrophobicContact CZ-CG2 3.56Å; L139-I362 HydrophobicContact CD1-CG2 4.49Å; F172-I362 HydrophobicContact CE1-CD1 4.17Å; F172-I362 HydrophobicContact CE2-CD1 4.11Å; F172-I362 HydrophobicContact CZ-CD1 3.45Å; F172-I362 VanDerWaalsContact CZ-CD1 3.45Å; I181-I362 HydrophobicContact CD1-CD1 3.81Å; I181-I362 HydrophobicContact CD1-CG1 3.9Å; A358-I362 WeakPolarHBondContact O-CD1 3.25Å; A358-I362 WeakPolarHBondContact O-CG1 3.46Å; A358-I362 PolarHBondContact O-N 3.04Å; G359-I362 PolarHBondContact O-N 2.9Å; G359-I362 VanDerWaalsContact O-N 3.1Å; I362-I364 PolarHBondContact O-N 3.41Å; I362-L365 PolarHBondContact O-N 3.26Å; I362-F366 WeakPolarHBondContact O-CB 3.37Å; I362-F366 PolarHBondContact O-N 3.23Å; I362-L408 HydrophobicContact CG2-CD2 4.25Å; I362-W413 HydrophobicContact CB-CH2 4.16Å; I362-W413 HydrophobicContact CG1-CH2 3.58Å; I362-W413 HydrophobicContact CG1-CZ2 4.38Å; I362-W413 HydrophobicContact CG1-CZ3 4.47Å
363	A	88.7	Confident	88.9	Confident	15 Å²	15	24.6 Å²	24.6	12%	0.124	12%	0.115	C	C	.	.	H	α-helix	trans	-56.8	-50.3	176.5	0	0	0	0	0	112.5	F57 E61 G359 S360 L361 L365 F366 E367	F57-A363 HydrophobicContact CD2-CB 3.61Å; F57-A363 HydrophobicContact CE2-CB 3.98Å; E61-A363 WeakPolarHBondContact OE2-CB 3.24Å; G359-A363 WeakPolarHBondContact O-CB 3.34Å; G359-A363 PolarHBondContact O-N 3.22Å; S360-A363 WeakPolarHBondContact O-CB 3.44Å; L361-A363 PolarHBondContact O-N 3.47Å; A363-L365 VanDerWaalsContact C-N 3.29Å; A363-L365 PolarHBondContact O-N 2.72Å; A363-F366 PolarHBondContact O-N 2.87Å; A363-E367 WeakPolarHBondContact O-CB 3.38Å; A363-E367 PolarHBondContact O-N 2.86Å
364	I	86.1	Confident	88.7	Confident	31 Å²	31	24.4 Å²	24.4	16%	0.159	12%	0.115	C	C	.	.	H	α-helix	trans	-59.3	-41.3	178.1	-66.1	167.4	0	0	0	111.2	S360 L361 I362 D368 F418 M420	S360-I364 WeakPolarHBondContact O-CG1 3.46Å; S360-I364 PolarHBondContact O-N 3.34Å; L361-I364 PolarHBondContact O-N 2.9Å; I362-I364 PolarHBondContact O-N 3.41Å; I364-D368 PolarHBondContact O-N 2.66Å; I364-F418 HydrophobicContact CG2-CD2 3.42Å; I364-F418 VanDerWaalsContact CG2-CD2 3.42Å; I364-F418 HydrophobicContact CG2-CE2 3.69Å; I364-F418 HydrophobicContact CG2-CG 4.24Å; I364-M420 HydrophobicContact CG2-CE 3.91Å; I364-M420 HydrophobicContact CG2-SD 4.46Å
365	L	87.4	Confident	88.5	Confident	9 Å²	9	27.3 Å²	27.3	5%	0.047	14%	0.136	C	C	.	.	H	α-helix	trans	-71.4	-42.3	178.3	179.3	62.9	0	0	0	112.1	L361 I362 A363 E367 D368 L369 L408 W413 V415	L361-L365 PolarHBondContact O-N 3.36Å; I362-L365 PolarHBondContact O-N 3.26Å; A363-L365 VanDerWaalsContact C-N 3.29Å; A363-L365 PolarHBondContact O-N 2.72Å; L365-E367 VanDerWaalsContact C-N 3.35Å; L365-D368 PolarHBondContact O-N 3.04Å; L365-L369 HydrophobicContact CD1-CD1 4.07Å; L365-L369 HydrophobicContact CD1-CG 4.14Å; L365-L369 HydrophobicContact CG-CD1 3.87Å; L365-L369 HydrophobicContact CG-CG 4.35Å; L365-L369 WeakPolarHBondContact O-CB 3.5Å; L365-L369 VanDerWaalsContact O-CG 3.26Å; L365-L369 WeakPolarHBondContact O-CG 3.14Å; L365-L369 PolarHBondContact O-N 3.44Å; L365-L408 HydrophobicContact CD2-CD2 3.87Å; L365-L408 HydrophobicContact CG-CD2 4.15Å; L365-W413 HydrophobicContact CB-CE3 3.51Å; L365-W413 HydrophobicContact CB-CH2 4.16Å; L365-W413 HydrophobicContact CB-CZ3 3.21Å; L365-W413 HydrophobicContact CD1-CE3 4.46Å; L365-W413 HydrophobicContact CD2-CD2 3.89Å; L365-W413 HydrophobicContact CD2-CE3 3.52Å; L365-W413 HydrophobicContact CD2-CH2 3.66Å; L365-W413 HydrophobicContact CD2-CZ2 4.06Å; L365-W413 HydrophobicContact CD2-CZ3 3.37Å; L365-W413 HydrophobicContact CG-CE3 4.01Å; L365-W413 HydrophobicContact CG-CZ3 3.89Å; L365-V415 HydrophobicContact CD1-CG2 3.95Å
366	F	89	Confident	88.2	Confident	8 Å²	8	29.4 Å²	29.4	4%	0.035	15%	0.145	C	C	.	.	H	α-helix	trans	-61.1	-45.9	177.3	178.2	-103.6	0	0	0	110.6	F57 V62 I116 I362 A363 D368 L369 F370 I404	F57-F366 HydrophobicContact CE2-CB 4.11Å; F57-F366 HydrophobicContact CE2-CD1 4.38Å; F57-F366 HydrophobicContact CE2-CG 4.38Å; F57-F366 HydrophobicContact CZ-CB 4.03Å; F57-F366 HydrophobicContact CZ-CG 4.2Å; V62-F366 HydrophobicContact CG1-CE1 4.33Å; V62-F366 HydrophobicContact CG1-CZ 4.3Å; V62-F366 HydrophobicContact CG2-CE1 4.49Å; I116-F366 HydrophobicContact CD1-CE2 3.86Å; I362-F366 WeakPolarHBondContact O-CB 3.37Å; I362-F366 PolarHBondContact O-N 3.23Å; A363-F366 PolarHBondContact O-N 2.87Å; F366-D368 VanDerWaalsContact C-N 3.29Å; F366-D368 PolarHBondContact O-N 3.06Å; F366-L369 PolarHBondContact O-N 3.48Å; F366-F370 HydrophobicContact CZ-CD2 4.41Å; F366-F370 WeakPolarHBondContact O-CB 3.48Å; F366-F370 PolarHBondContact O-N 3.36Å; F366-I404 HydrophobicContact CE2-CD1 4.44Å
367	E	85.9	Confident	88	Confident	73 Å²	73	28.9 Å²	28.9	34%	0.341	14%	0.143	S	C	.	.	H	α-helix	trans	-57.4	-43.2	175.8	-168.4	-164.2	156.9	0	0	111.5	A363 L365 K371 F418	A363-E367 WeakPolarHBondContact O-CB 3.38Å; A363-E367 PolarHBondContact O-N 2.86Å; L365-E367 VanDerWaalsContact C-N 3.35Å; E367-K371 HydrophobicContact CG-CD 4.27Å; E367-K371 WeakPolarHBondContact O-CB 3.31Å; E367-K371 WeakPolarHBondContact O-CG 3.33Å; E367-K371 PolarHBondContact O-N 3.05Å; E367-K371 VanDerWaalsContact OE1-CE 3.31Å; E367-K371 WeakPolarHBondContact OE1-CE 3.04Å; E367-K371 IonicContact OE1-NZ 2.63Å; E367-K371 PolarHBondContact OE1-NZ 2.72Å; E367-F418 WeakPolarHBondContact OE2-CZ 3.49Å
368	D	85.9	Confident	87.8	Confident	23 Å²	23	30.3 Å²	30.3	12%	0.123	15%	0.152	C	C	.	.	H	α-helix	trans	-65.3	-49	178.8	-169.4	62.3	0	0	0	112.5	I364 L365 F366 F370 K371 R372 V415 R417	I364-D368 PolarHBondContact O-N 2.66Å; L365-D368 PolarHBondContact O-N 3.04Å; F366-D368 VanDerWaalsContact C-N 3.29Å; F366-D368 PolarHBondContact O-N 3.06Å; D368-F370 VanDerWaalsContact C-N 3.33Å; D368-F370 PolarHBondContact O-N 2.91Å; D368-K371 PolarHBondContact O-N 2.79Å; D368-R372 WeakPolarHBondContact O-CB 3.4Å; D368-R372 PolarHBondContact O-N 3.06Å; D368-V415 HydrophobicContact CB-CG1 3.61Å; D368-V415 HydrophobicContact CB-CG2 4.36Å; D368-R417 WeakPolarHBondContact OD1-CB 3.48Å; D368-R417 IonicContact OD1-CZ 3.19Å; D368-R417 IonicContact OD1-NH1 2.73Å; D368-R417 PolarHBondContact OD1-NH1 3Å
369	L	88.2	Confident	87.6	Confident	13 Å²	13	32.9 Å²	32.9	7%	0.068	17%	0.174	C	C	.	.	H	α-helix	trans	-62.6	-40.3	178.4	-68.1	173.3	0	0	0	111.5	L365 F366 R372 L373 I404 L408	L365-L369 HydrophobicContact CD1-CD1 4.07Å; L365-L369 HydrophobicContact CD1-CG 4.14Å; L365-L369 HydrophobicContact CG-CD1 3.87Å; L365-L369 HydrophobicContact CG-CG 4.35Å; L365-L369 WeakPolarHBondContact O-CB 3.5Å; L365-L369 VanDerWaalsContact O-CG 3.26Å; L365-L369 WeakPolarHBondContact O-CG 3.14Å; L365-L369 PolarHBondContact O-N 3.44Å; F366-L369 PolarHBondContact O-N 3.48Å; L369-R372 PolarHBondContact O-N 3.24Å; L369-L373 WeakPolarHBondContact O-CB 3.2Å; L369-L373 PolarHBondContact O-N 2.83Å; L369-I404 HydrophobicContact CB-CG1 4.42Å; L369-L408 HydrophobicContact CD1-CD2 4.22Å; L369-L408 HydrophobicContact CD1-CG 4Å
370	F	87.2	Confident	87.5	Confident	7 Å²	7	35 Å²	35	3%	0.031	19%	0.185	C	C	.	.	H	α-helix	trans	-65.1	-48.4	177.8	-174.7	-105.9	0	0	0	111.5	P65 Y81 L136 F366 D368 R372 L373 N374	P65-F370 HydrophobicContact CB-CD1 4.33Å; P65-F370 HydrophobicContact CB-CE1 4.03Å; P65-F370 HydrophobicContact CG-CE1 4.4Å; Y81-F370 HydrophobicContact CD1-CZ 4.37Å; Y81-F370 AromaticContact CD2-CZ 3.78Å; Y81-F370 HydrophobicContact CD2-CZ 3.78Å; Y81-F370 HydrophobicContact CE1-CE2 4.07Å; Y81-F370 HydrophobicContact CE1-CZ 4.14Å; Y81-F370 HydrophobicContact CE2-CE1 4.35Å; Y81-F370 HydrophobicContact CE2-CE2 4.08Å; Y81-F370 AromaticContact CE2-CZ 3.49Å; Y81-F370 HydrophobicContact CE2-CZ 3.49Å; Y81-F370 VanDerWaalsContact CE2-CZ 3.49Å; Y81-F370 HydrophobicContact CG-CZ 4.19Å; Y81-F370 AromaticContact CZ-CE2 3.76Å; Y81-F370 AromaticContact CZ-CZ 3.67Å; L136-F370 HydrophobicContact CD2-CD2 3.99Å; L136-F370 HydrophobicContact CD2-CE2 3.94Å; F366-F370 HydrophobicContact CZ-CD2 4.41Å; F366-F370 WeakPolarHBondContact O-CB 3.48Å; F366-F370 PolarHBondContact O-N 3.36Å; D368-F370 VanDerWaalsContact C-N 3.33Å; D368-F370 PolarHBondContact O-N 2.91Å; F370-R372 VanDerWaalsContact C-N 3.3Å; F370-R372 PolarHBondContact O-N 3.1Å; F370-L373 WeakPolarHBondContact O-CB 3.24Å; F370-L373 PolarHBondContact O-N 2.91Å; F370-N374 VanDerWaalsContact CE1-ND2 3.26Å; F370-N374 WeakPolarHBondContact CE1-ND2 3.27Å; F370-N374 PolarHBondContact O-N 3.1Å
371	K	86.4	Confident	87.4	Confident	81 Å²	81	33.5 Å²	33.5	35%	0.352	17%	0.174	S	C	.	.	H	α-helix	trans	-64	-35.4	175.4	-74.3	176.2	173.3	174.7	0	112.2	E367 D368 N374 T375 R417	E367-K371 HydrophobicContact CG-CD 4.27Å; E367-K371 WeakPolarHBondContact O-CB 3.31Å; E367-K371 WeakPolarHBondContact O-CG 3.33Å; E367-K371 PolarHBondContact O-N 3.05Å; E367-K371 VanDerWaalsContact OE1-CE 3.31Å; E367-K371 WeakPolarHBondContact OE1-CE 3.04Å; E367-K371 IonicContact OE1-NZ 2.63Å; E367-K371 PolarHBondContact OE1-NZ 2.72Å; D368-K371 PolarHBondContact O-N 2.79Å; K371-N374 PolarHBondContact O-N 3.25Å; K371-T375 PolarHBondContact O-N 3.13Å; K371-T375 PolarHBondContact O-OG1 2.96Å; K371-R417 VanDerWaalsContact CB-NH1 3.25Å; K371-R417 VanDerWaalsContact CB-NH2 3.31Å
372	R	87	Confident	87.3	Confident	138 Å²	138	35.1 Å²	35.1	52%	0.521	18%	0.182	S	C	.	.	H	α-helix	trans	-63.9	-47.2	174.3	179.6	179.6	174.9	165.7	1.4	111	D368 L369 F370 N374 T375 E376	D368-R372 WeakPolarHBondContact O-CB 3.4Å; D368-R372 PolarHBondContact O-N 3.06Å; L369-R372 PolarHBondContact O-N 3.24Å; F370-R372 VanDerWaalsContact C-N 3.3Å; F370-R372 PolarHBondContact O-N 3.1Å; R372-N374 VanDerWaalsContact C-N 3.3Å; R372-N374 PolarHBondContact O-N 3Å; R372-T375 PolarHBondContact O-N 3.36Å; R372-T375 VanDerWaalsContact O-N 3.15Å; R372-E376 IonicContact CZ-OE1 3.03Å; R372-E376 IonicContact NE-OE1 2.86Å; R372-E376 PolarHBondContact NE-OE1 3.4Å; R372-E376 VanDerWaalsContact NE-OE1 3.08Å; R372-E376 IonicContact NH2-OE1 2.95Å; R372-E376 WeakPolarHBondContact O-CG 3.41Å; R372-E376 PolarHBondContact O-N 3.46Å
373	L	88.2	Confident	87.1	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-55.9	-46.3	174.8	179.8	67.8	0	0	0	110.9	L136 L369 F370 T375 E376 L377 I404	L136-L373 HydrophobicContact CD1-CD2 3.57Å; L136-L373 HydrophobicContact CG-CD2 4.09Å; L369-L373 WeakPolarHBondContact O-CB 3.2Å; L369-L373 PolarHBondContact O-N 2.83Å; F370-L373 WeakPolarHBondContact O-CB 3.24Å; F370-L373 PolarHBondContact O-N 2.91Å; L373-T375 PolarHBondContact O-N 2.82Å; L373-E376 PolarHBondContact O-N 3.25Å; L373-L377 HydrophobicContact CG-CD1 4.23Å; L373-L377 WeakPolarHBondContact O-CG 3.25Å; L373-L377 PolarHBondContact O-N 3.43Å; L373-I404 HydrophobicContact CD2-CD1 4.05Å
374	N	88.1	Confident	86.9	Confident	9 Å²	9	42 Å²	42	5%	0.048	21%	0.211	C	C	.	.	H	α-helix	trans	-61.4	-41.8	176.6	-72.8	-24	0	0	0	112.7	S67 Y81 F370 K371 R372 E376 L377 V378	S67-N374 PolarHBondContact OG-ND2 2.67Å; Y81-N374 WeakPolarHBondContact CE2-OD1 3.5Å; Y81-N374 PolarHBondContact OH-OD1 3.4Å; F370-N374 VanDerWaalsContact CE1-ND2 3.26Å; F370-N374 WeakPolarHBondContact CE1-ND2 3.27Å; F370-N374 PolarHBondContact O-N 3.1Å; K371-N374 PolarHBondContact O-N 3.25Å; R372-N374 VanDerWaalsContact C-N 3.3Å; R372-N374 PolarHBondContact O-N 3Å; N374-E376 VanDerWaalsContact C-N 3.33Å; N374-E376 PolarHBondContact O-N 2.85Å; N374-L377 PolarHBondContact O-N 3.21Å; N374-V378 VanDerWaalsContact O-CG2 3.32Å; N374-V378 WeakPolarHBondContact O-CG2 3.39Å; N374-V378 PolarHBondContact O-N 2.98Å
375	T	86.9	Confident	86.6	Confident	90 Å²	90	43.1 Å²	43.1	55%	0.552	22%	0.217	S	C	*	.	H	α-helix	trans	-63.5	-40.7	177	-51	0	0	0	0	111.3	K371 R372 L373 A379	K371-T375 PolarHBondContact O-N 3.13Å; K371-T375 PolarHBondContact O-OG1 2.96Å; R372-T375 PolarHBondContact O-N 3.36Å; R372-T375 VanDerWaalsContact O-N 3.15Å; L373-T375 PolarHBondContact O-N 2.82Å; T375-A379 WeakPolarHBondContact O-CB 3.35Å; T375-A379 PolarHBondContact O-N 2.9Å
376	E	87.8	Confident	86.3	Confident	51 Å²	51	46.2 Å²	46.2	24%	0.238	24%	0.24	C	C	.	.	H	α-helix	trans	-65.9	-41.3	175.2	-71.3	-180	-165.1	0	0	111.6	R372 L373 N374 A379 I380	R372-E376 IonicContact CZ-OE1 3.03Å; R372-E376 IonicContact NE-OE1 2.86Å; R372-E376 PolarHBondContact NE-OE1 3.4Å; R372-E376 VanDerWaalsContact NE-OE1 3.08Å; R372-E376 IonicContact NH2-OE1 2.95Å; R372-E376 WeakPolarHBondContact O-CG 3.41Å; R372-E376 PolarHBondContact O-N 3.46Å; L373-E376 PolarHBondContact O-N 3.25Å; N374-E376 VanDerWaalsContact C-N 3.33Å; N374-E376 PolarHBondContact O-N 2.85Å; E376-A379 PolarHBondContact O-N 2.67Å; E376-I380 WeakPolarHBondContact O-CD1 3.38Å; E376-I380 VanDerWaalsContact O-CG1 3.23Å; E376-I380 WeakPolarHBondContact O-CG1 3.37Å; E376-I380 PolarHBondContact O-N 3.31Å
377	L	87.7	Confident	85.9	Confident	6 Å²	6	51.7 Å²	51.7	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-63.3	-45.1	176.3	-73.7	174.8	0	0	0	112.3	F79 L373 N374 I380 A381 I395 C398 I399	F79-L377 HydrophobicContact CE1-CD1 4.1Å; L373-L377 HydrophobicContact CG-CD1 4.23Å; L373-L377 WeakPolarHBondContact O-CG 3.25Å; L373-L377 PolarHBondContact O-N 3.43Å; N374-L377 PolarHBondContact O-N 3.21Å; L377-I380 PolarHBondContact O-N 2.93Å; L377-A381 WeakPolarHBondContact O-CB 3.19Å; L377-A381 PolarHBondContact O-N 2.77Å; L377-I395 HydrophobicContact CB-CD1 4.41Å; L377-I395 HydrophobicContact CD2-CG1 4.23Å; L377-C398 HydrophobicContact CD2-CB 4.28Å; L377-I399 HydrophobicContact CD1-CG1 4.1Å; L377-I399 HydrophobicContact CD2-CG1 3.89Å
378	V	86.6	Confident	84.9	Confident	36 Å²	36	58.1 Å²	58.1	22%	0.218	29%	0.294	C	S	.	.	H	α-helix	trans	-60.4	-45.8	175.2	171.9	0	0	0	0	110.4	N69 N374 I380 A381 D382	N69-V378 HydrophobicContact CB-CG2 4.12Å; N374-V378 VanDerWaalsContact O-CG2 3.32Å; N374-V378 WeakPolarHBondContact O-CG2 3.39Å; N374-V378 PolarHBondContact O-N 2.98Å; V378-I380 VanDerWaalsContact C-N 3.33Å; V378-I380 PolarHBondContact O-N 2.8Å; V378-A381 WeakPolarHBondContact O-CB 3.42Å; V378-A381 PolarHBondContact O-N 3.32Å; V378-D382 PolarHBondContact O-N 2.79Å
379	A	87.6	Confident	83.9	Confident	55 Å²	55	65 Å²	65	46%	0.455	32%	0.318	S	S	.	.	H	α-helix	trans	-63	-37	177.8	0	0	0	0	0	113.1	T375 E376 K383	T375-A379 WeakPolarHBondContact O-CB 3.35Å; T375-A379 PolarHBondContact O-N 2.9Å; E376-A379 PolarHBondContact O-N 2.67Å; A379-K383 VanDerWaalsContact O-CB 3.28Å; A379-K383 WeakPolarHBondContact O-CB 3.02Å; A379-K383 PolarHBondContact O-N 3.16Å
380	I	87.5	Confident	82.8	Confident	45 Å²	45	69.8 Å²	69.8	23%	0.231	36%	0.36	C	S	.	.	H	α-helix	trans	-67.9	-41.7	174.5	-68.7	163.7	0	0	0	110.7	E376 L377 V378 K383 T384 F393 C398	E376-I380 WeakPolarHBondContact O-CD1 3.38Å; E376-I380 VanDerWaalsContact O-CG1 3.23Å; E376-I380 WeakPolarHBondContact O-CG1 3.37Å; E376-I380 PolarHBondContact O-N 3.31Å; L377-I380 PolarHBondContact O-N 2.93Å; V378-I380 VanDerWaalsContact C-N 3.33Å; V378-I380 PolarHBondContact O-N 2.8Å; I380-K383 PolarHBondContact O-N 2.94Å; I380-T384 VanDerWaalsContact O-CB 3.3Å; I380-T384 WeakPolarHBondContact O-CB 3.2Å; I380-T384 PolarHBondContact O-N 2.85Å; I380-T384 PolarHBondContact O-OG1 3.44Å; I380-F393 HydrophobicContact CG2-CZ 4.47Å; I380-C398 HydrophobicContact CG2-CB 4.1Å
381	A	85.2	Confident	82.1	Confident	2 Å²	2	74.6 Å²	74.6	2%	0.017	39%	0.389	C	S	.	.	H	α-helix	trans	-61.5	-51.7	176.1	0	0	0	0	0	110.9	F77 L377 V378 K383 T384 L385 F393	F77-A381 HydrophobicContact CE1-CB 4.2Å; L377-A381 WeakPolarHBondContact O-CB 3.19Å; L377-A381 PolarHBondContact O-N 2.77Å; V378-A381 WeakPolarHBondContact O-CB 3.42Å; V378-A381 PolarHBondContact O-N 3.32Å; A381-K383 VanDerWaalsContact C-N 3.32Å; A381-K383 PolarHBondContact O-N 2.79Å; A381-T384 PolarHBondContact O-N 3.04Å; A381-T384 VanDerWaalsContact O-N 3.14Å; A381-L385 HydrophobicContact CB-CD1 4.35Å; A381-L385 VanDerWaalsContact O-CB 3.28Å; A381-L385 WeakPolarHBondContact O-CB 3.35Å; A381-L385 WeakPolarHBondContact O-CG 3.13Å; A381-L385 PolarHBondContact O-N 2.81Å; A381-F393 HydrophobicContact CB-CE1 3.94Å; A381-F393 HydrophobicContact CB-CZ 4.25Å
382	D	85.9	Confident	81.6	Confident	35 Å²	35	75.9 Å²	75.9	19%	0.187	40%	0.395	C	S	.	.	H	α-helix	trans	-56.9	-43.2	177.4	-73.4	-29.2	0	0	0	111.7	C71 K72 M73 V378 T384 S386	C71-D382 PolarHBondContact SG-OD1 3.25Å; K72-D382 PolarHBondContact N-OD1 3.43Å; M73-D382 HydrophobicContact CG-CB 4.28Å; V378-D382 PolarHBondContact O-N 2.79Å; D382-T384 PolarHBondContact O-N 3.49Å; D382-S386 VanDerWaalsContact O-CB 3.3Å; D382-S386 WeakPolarHBondContact O-CB 3.34Å; D382-S386 PolarHBondContact O-N 3.32Å; D382-S386 PolarHBondContact O-OG 2.79Å
383	K	85.8	Confident	81.2	Confident	144 Å²	144	71 Å²	71	63%	0.626	38%	0.378	S	S	*	.	H	α-helix	trans	-70.8	-29.9	179.4	-173.2	176	-178.3	178	0	113.5	A379 I380 A381 S386	A379-K383 VanDerWaalsContact O-CB 3.28Å; A379-K383 WeakPolarHBondContact O-CB 3.02Å; A379-K383 PolarHBondContact O-N 3.16Å; I380-K383 PolarHBondContact O-N 2.94Å; A381-K383 VanDerWaalsContact C-N 3.32Å; A381-K383 PolarHBondContact O-N 2.79Å; K383-S386 PolarHBondContact O-OG 2.78Å
384	T	84.5	Confident	81	Confident	23 Å²	23	72 Å²	72	14%	0.141	38%	0.383	C	S	.	.	H	α-helix	trans	-89.1	-40.4	-176.6	-49.8	0	0	0	0	111.1	I380 A381 D382 S386 K387 F393	I380-T384 VanDerWaalsContact O-CB 3.3Å; I380-T384 WeakPolarHBondContact O-CB 3.2Å; I380-T384 PolarHBondContact O-N 2.85Å; I380-T384 PolarHBondContact O-OG1 3.44Å; A381-T384 PolarHBondContact O-N 3.04Å; A381-T384 VanDerWaalsContact O-N 3.14Å; D382-T384 PolarHBondContact O-N 3.49Å; T384-S386 VanDerWaalsContact C-N 3.3Å; T384-S386 PolarHBondContact O-N 3.31Å; T384-K387 PolarHBondContact O-N 3.07Å; T384-K387 VanDerWaalsContact O-N 3.17Å; T384-F393 HydrophobicContact CG2-CD2 3.6Å; T384-F393 HydrophobicContact CG2-CE2 3.84Å; T384-F393 HydrophobicContact CG2-CG 4.46Å
385	L	80.8	Confident	80.8	Confident	56 Å²	56	71.7 Å²	71.7	29%	0.293	38%	0.382	S	S	.	.	H	α-helix	trans	-70.8	-24.7	177.1	-68	168.2	0	0	0	112.4	D74 F77 A381 K387 F393	D74-L385 HydrophobicContact CB-CD1 4.39Å; F77-L385 HydrophobicContact CB-CD1 4.01Å; F77-L385 HydrophobicContact CD1-CD1 4.21Å; F77-L385 HydrophobicContact CD2-CD1 4.32Å; F77-L385 HydrophobicContact CG-CD1 3.9Å; A381-L385 HydrophobicContact CB-CD1 4.35Å; A381-L385 VanDerWaalsContact O-CB 3.28Å; A381-L385 WeakPolarHBondContact O-CB 3.35Å; A381-L385 WeakPolarHBondContact O-CG 3.13Å; A381-L385 PolarHBondContact O-N 2.81Å; L385-K387 PolarHBondContact O-N 2.83Å; L385-F393 HydrophobicContact CD2-CB 4.22Å; L385-F393 HydrophobicContact CD2-CD1 4.25Å; L385-F393 HydrophobicContact CD2-CG 4.47Å; L385-F393 HydrophobicContact CG-CD1 4.33Å
386	S	80.9	Confident	80.7	Confident	74 Å²	74	68.8 Å²	68.8	52%	0.517	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-13.6	170.6	57	0	0	0	0	114	D382 K383 T384	D382-S386 VanDerWaalsContact O-CB 3.3Å; D382-S386 WeakPolarHBondContact O-CB 3.34Å; D382-S386 PolarHBondContact O-N 3.32Å; D382-S386 PolarHBondContact O-OG 2.79Å; K383-S386 PolarHBondContact O-OG 2.78Å; T384-S386 VanDerWaalsContact C-N 3.3Å; T384-S386 PolarHBondContact O-N 3.31Å
387	K	79.3	Confident	80.5	Confident	123 Å²	123	74.8 Å²	74.8	54%	0.535	39%	0.389	S	S	.	.	S	Bend	trans	-109.6	121.2	177.8	-63.1	-175.4	-179.9	-167.9	0	110	T384 L385 R389	T384-K387 PolarHBondContact O-N 3.07Å; T384-K387 VanDerWaalsContact O-N 3.17Å; L385-K387 PolarHBondContact O-N 2.83Å; K387-R389 PolarHBondContact O-N 3.14Å; K387-R389 VanDerWaalsContact O-N 3.17Å
388	Q	65.5	Low	80.4	Confident	208 Å²	208	76.1 Å²	76.1	97%	0.972	40%	0.398	S	S	*	.			trans	-63.8	119.2	171.9	-72.1	-172.4	-8.3	0	0	110.2
389	R	65.3	Low	80.3	Confident	166 Å²	166	75.4 Å²	75.4	63%	0.626	39%	0.393	S	S	*	.			trans	-125	148.5	174.1	-72.9	-177.5	173.1	-177	-2	109.2	K387 T391	K387-R389 PolarHBondContact O-N 3.14Å; K387-R389 VanDerWaalsContact O-N 3.17Å; R389-T391 PolarHBondContact O-N 2.95Å
390	A	64	Low	80.3	Confident	115 Å²	115	80.1 Å²	80.1	95%	0.95	40%	0.399	S	S	*	.	S	Bend	trans	-66.9	-19.9	175.8	0	0	0	0	0	113.5
391	T	74.2	Confident	80.2	Confident	107 Å²	107	82.6 Å²	82.6	66%	0.656	41%	0.408	S	S	*	.	S	Bend	trans	-98	130.2	-178.1	48.2	0	0	0	0	111.8	R389 F393	R389-T391 PolarHBondContact O-N 2.95Å; T391-F393 PolarHBondContact O-N 2.96Å
392	K	74.2	Confident	80.3	Confident	109 Å²	109	89.7 Å²	89.7	47%	0.474	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-58.2	121.1	171.8	-66.4	-175.5	179.3	-176.9	0	109.6	R124 E127	R124-K392 HydrophobicContact CG-CB 3.92Å; R124-K392 HydrophobicContact CG-CD 4.24Å; E127-K392 IonicContact OE1-NZ 3.72Å; E127-K392 PolarHBondContact OE1-NZ 3.34Å
393	F	80.5	Confident	80.2	Confident	34 Å²	34	89.4 Å²	89.4	15%	0.149	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-58.6	134.9	-179.7	179	-117.4	0	0	0	111.5	F77 I380 A381 T384 L385 T391 I395	F77-F393 AromaticContact CE2-CD1 3.98Å; F77-F393 HydrophobicContact CE2-CD1 3.98Å; F77-F393 HydrophobicContact CE2-CE1 4.24Å; F77-F393 HydrophobicContact CZ-CD1 4.2Å; F77-F393 AromaticContact CZ-CE1 3.97Å; F77-F393 HydrophobicContact CZ-CE1 3.97Å; I380-F393 HydrophobicContact CG2-CZ 4.47Å; A381-F393 HydrophobicContact CB-CE1 3.94Å; A381-F393 HydrophobicContact CB-CZ 4.25Å; T384-F393 HydrophobicContact CG2-CD2 3.6Å; T384-F393 HydrophobicContact CG2-CE2 3.84Å; T384-F393 HydrophobicContact CG2-CG 4.46Å; L385-F393 HydrophobicContact CD2-CB 4.22Å; L385-F393 HydrophobicContact CD2-CD1 4.25Å; L385-F393 HydrophobicContact CD2-CG 4.47Å; L385-F393 HydrophobicContact CG-CD1 4.33Å; T391-F393 PolarHBondContact O-N 2.96Å; F393-I395 HydrophobicContact CE1-CB 4.03Å; F393-I395 HydrophobicContact CE1-CG1 4.4Å; F393-I395 HydrophobicContact CZ-CB 4.32Å; F393-I395 HydrophobicContact CZ-CG1 4.45Å
394	D	83	Confident	80.1	Confident	24 Å²	24	82.5 Å²	82.5	13%	0.128	41%	0.41	C	S	.	.			trans	-129.3	102.8	179.6	-173.5	7.8	0	0	0	109	Y122 V396 K397	Y122-D394 WeakPolarHBondContact CE2-OD1 3.41Å; Y122-D394 VanDerWaalsContact CZ-OD1 3.26Å; Y122-D394 PolarHBondContact OH-OD1 2.86Å; D394-V396 PolarHBondContact O-N 3.09Å; D394-V396 PolarHBondContact OD1-N 3.35Å; D394-K397 PolarHBondContact O-N 3.33Å
395	I	83.9	Confident	80.1	Confident	3 Å²	3	83.5 Å²	83.5	2%	0.015	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-64.8	-25.1	-174.3	-165.9	164	0	0	0	112.6	F77 F79 Y122 L377 F393 K397 C398	F77-I395 HydrophobicContact CE1-CD1 3.95Å; F77-I395 HydrophobicContact CZ-CB 4.04Å; F77-I395 HydrophobicContact CZ-CD1 3.82Å; F77-I395 HydrophobicContact CZ-CG2 4.25Å; F79-I395 HydrophobicContact CB-CD1 4.13Å; F79-I395 HydrophobicContact CD1-CD1 4.5Å; F79-I395 HydrophobicContact CD2-CD1 4.12Å; F79-I395 HydrophobicContact CD2-CG2 3.67Å; F79-I395 HydrophobicContact CE2-CG2 3.97Å; F79-I395 HydrophobicContact CG-CD1 4.02Å; Y122-I395 HydrophobicContact CD1-CG2 4.41Å; Y122-I395 HydrophobicContact CD2-CG2 3.78Å; Y122-I395 HydrophobicContact CE2-CG2 4.17Å; Y122-I395 HydrophobicContact CG-CG2 3.9Å; L377-I395 HydrophobicContact CB-CD1 4.41Å; L377-I395 HydrophobicContact CD2-CG1 4.23Å; F393-I395 HydrophobicContact CE1-CB 4.03Å; F393-I395 HydrophobicContact CE1-CG1 4.4Å; F393-I395 HydrophobicContact CZ-CB 4.32Å; F393-I395 HydrophobicContact CZ-CG1 4.45Å; I395-K397 PolarHBondContact O-N 3.47Å; I395-C398 WeakPolarHBondContact O-CB 3.44Å; I395-C398 PolarHBondContact O-N 3.23Å
396	V	84.4	Confident	80.1	Confident	28 Å²	28	84.3 Å²	84.3	17%	0.17	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-58.9	-36.3	-179.2	174.3	0	0	0	0	111.6	Y122 R131 L134 D394 C398 I399	Y122-V396 HydrophobicContact CD1-CG2 4.37Å; Y122-V396 HydrophobicContact CE1-CG2 3.57Å; R131-V396 HydrophobicContact CG-CG2 4.35Å; L134-V396 HydrophobicContact CD1-CG1 3.4Å; L134-V396 VanDerWaalsContact CD1-CG1 3.4Å; L134-V396 HydrophobicContact CD2-CG1 3.88Å; L134-V396 HydrophobicContact CD2-CG2 4.33Å; L134-V396 HydrophobicContact CG-CG1 4.31Å; D394-V396 PolarHBondContact O-N 3.09Å; D394-V396 PolarHBondContact OD1-N 3.35Å; V396-C398 PolarHBondContact O-N 3.09Å; V396-I399 PolarHBondContact O-N 3.06Å
397	K	84.1	Confident	79.9	Confident	177 Å²	177	81.6 Å²	81.6	77%	0.77	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-72	-14.6	178.3	-61.7	-174.9	-178.1	-175.2	0	113.3	D394 I395	D394-K397 PolarHBondContact O-N 3.33Å; I395-K397 PolarHBondContact O-N 3.47Å
398	C	84.8	Confident	79.9	Confident	34 Å²	34	76.6 Å²	76.6	23%	0.23	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-94.1	-6.4	-178.1	-61.1	0	0	0	0	113.3	L377 I380 I395 V396 R400	L377-C398 HydrophobicContact CD2-CB 4.28Å; I380-C398 HydrophobicContact CG2-CB 4.1Å; I395-C398 WeakPolarHBondContact O-CB 3.44Å; I395-C398 PolarHBondContact O-N 3.23Å; V396-C398 PolarHBondContact O-N 3.09Å; C398-R400 PolarHBondContact O-N 3.11Å
399	I	85.5	Confident	80.3	Confident	22 Å²	22	67.6 Å²	67.6	11%	0.113	35%	0.348	C	S	.	.			trans	-72.5	116.8	-177.9	-68.3	165.8	0	0	0	110.4	F79 L134 L136 L377 V396	F79-I399 HydrophobicContact CZ-CD1 4.38Å; L134-I399 HydrophobicContact CD2-CD1 3.42Å; L134-I399 VanDerWaalsContact CD2-CD1 3.42Å; L136-I399 HydrophobicContact CD1-CG2 4.2Å; L377-I399 HydrophobicContact CD1-CG1 4.1Å; L377-I399 HydrophobicContact CD2-CG1 3.89Å; V396-I399 PolarHBondContact O-N 3.06Å
400	R	86.2	Confident	80.6	Confident	154 Å²	154	62.4 Å²	62.4	58%	0.581	34%	0.335	S	S	*	.			trans	-94.3	101.7	179.9	-67	-178.7	178.8	-177.2	-3.4	111.3	C398 E402 V403	C398-R400 PolarHBondContact O-N 3.11Å; R400-E402 PolarHBondContact O-N 2.83Å; R400-V403 HydrophobicContact CB-CG2 4.1Å; R400-V403 PolarHBondContact O-N 2.76Å
401	K	87.3	Confident	80.7	Confident	96 Å²	96	57.2 Å²	57.2	42%	0.417	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-26.5	179.7	-57.8	178.5	-174.9	-179.1	0	114.4	L136 V403 T405	L136-K401 WeakPolarHBondContact O-CA 3.48Å; K401-V403 VanDerWaalsContact C-N 3.32Å; K401-V403 PolarHBondContact O-N 3.49Å; K401-T405 PolarHBondContact O-N 3.29Å; K401-T405 PolarHBondContact O-OG1 3.34Å
402	E	85.6	Confident	80.6	Confident	152 Å²	152	56.9 Å²	56.9	71%	0.71	29%	0.286	S	S	*	.	H	α-helix	trans	-68.1	-28	-174.2	-67.1	175.5	-170.3	0	0	113.7	R400 I404 T405 T406	R400-E402 PolarHBondContact O-N 2.83Å; E402-I404 PolarHBondContact O-N 2.89Å; E402-T405 PolarHBondContact O-N 3.29Å; E402-T406 WeakPolarHBondContact O-CB 3.14Å; E402-T406 PolarHBondContact O-N 3.19Å; E402-T406 PolarHBondContact O-OG1 3.2Å
403	V	84.5	Confident	80.6	Confident	28 Å²	28	52 Å²	52	17%	0.17	27%	0.265	C	S	.	.	H	α-helix	trans	-60.5	-48.9	-176.9	178.8	0	0	0	0	110.3	R400 K401 G407	R400-V403 HydrophobicContact CB-CG2 4.1Å; R400-V403 PolarHBondContact O-N 2.76Å; K401-V403 VanDerWaalsContact C-N 3.32Å; K401-V403 PolarHBondContact O-N 3.49Å; V403-G407 PolarHBondContact O-N 3.15Å
404	I	83.9	Confident	80.5	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-73.8	-48.3	179.2	-64.1	180	0	0	0	110.5	I116 L136 F366 L369 L373 E402 T406 G407 L408	I116-I404 HydrophobicContact CD1-CG2 4.16Å; L136-I404 HydrophobicContact CD2-CD1 3.54Å; L136-I404 HydrophobicContact CG-CD1 3.7Å; F366-I404 HydrophobicContact CE2-CD1 4.44Å; L369-I404 HydrophobicContact CB-CG1 4.42Å; L373-I404 HydrophobicContact CD2-CD1 4.05Å; E402-I404 PolarHBondContact O-N 2.89Å; I404-T406 PolarHBondContact O-N 3.31Å; I404-G407 PolarHBondContact O-N 3.19Å; I404-L408 HydrophobicContact CG2-CD1 3.53Å; I404-L408 HydrophobicContact CG2-CG 4.39Å; I404-L408 WeakPolarHBondContact O-CG 3.49Å; I404-L408 PolarHBondContact O-N 3.22Å
405	T	83.9	Confident	80.2	Confident	43 Å²	43	52.8 Å²	52.8	26%	0.264	27%	0.273	S	S	.	.	H	α-helix	trans	-61.9	-44.9	-173.8	-52.4	0	0	0	0	112.1	R138 K401 E402 A409	R138-T405 HydrophobicContact CB-CG2 4.13Å; R138-T405 PolarHBondContact N-OG1 3.09Å; R138-T405 VanDerWaalsContact N-OG1 3.08Å; K401-T405 PolarHBondContact O-N 3.29Å; K401-T405 PolarHBondContact O-OG1 3.34Å; E402-T405 PolarHBondContact O-N 3.29Å; T405-A409 VanDerWaalsContact O-CB 3.23Å; T405-A409 WeakPolarHBondContact O-CB 3.47Å; T405-A409 PolarHBondContact O-N 3.1Å
406	T	81.7	Confident	79.9	Confident	73 Å²	73	63.3 Å²	63.3	45%	0.448	31%	0.313	S	S	.	.	H	α-helix	trans	-74.5	-40.3	179.5	-50	0	0	0	0	111	E402 I404 L408 A409 T410	E402-T406 WeakPolarHBondContact O-CB 3.14Å; E402-T406 PolarHBondContact O-N 3.19Å; E402-T406 PolarHBondContact O-OG1 3.2Å; I404-T406 PolarHBondContact O-N 3.31Å; T406-L408 VanDerWaalsContact C-N 3.34Å; T406-L408 PolarHBondContact O-N 3.35Å; T406-A409 PolarHBondContact O-N 2.67Å; T406-T410 HydrophobicContact CG2-CG2 4.02Å; T406-T410 VanDerWaalsContact O-CG2 3.22Å; T406-T410 WeakPolarHBondContact O-CG2 3.44Å; T406-T410 PolarHBondContact O-N 3.02Å; T406-T410 VanDerWaalsContact O-N 3.14Å; T406-T410 PolarHBondContact O-OG1 3.29Å
407	G	76.3	Confident	79.4	Confident	18 Å²	18	67.2 Å²	67.2	19%	0.186	32%	0.324	C	S	.	.	H	α-helix	trans	-55.9	-48.4	178	0	0	0	0	0	112	V403 I404 T410	V403-G407 PolarHBondContact O-N 3.15Å; I404-G407 PolarHBondContact O-N 3.19Å; G407-T410 PolarHBondContact O-OG1 3.27Å
408	L	78.7	Confident	78.7	Confident	18 Å²	18	62.3 Å²	62.3	9%	0.094	30%	0.303	C	S	.	.	H	α-helix	trans	-73	-32.4	-179.8	-64.3	167.1	0	0	0	113.2	L139 P140 I362 L365 L369 I404 T406	L139-L408 HydrophobicContact CD1-CD1 3.8Å; P140-L408 HydrophobicContact CG-CB 4.13Å; I362-L408 HydrophobicContact CG2-CD2 4.25Å; L365-L408 HydrophobicContact CD2-CD2 3.87Å; L365-L408 HydrophobicContact CG-CD2 4.15Å; L369-L408 HydrophobicContact CD1-CD2 4.22Å; L369-L408 HydrophobicContact CD1-CG 4Å; I404-L408 HydrophobicContact CG2-CD1 3.53Å; I404-L408 HydrophobicContact CG2-CG 4.39Å; I404-L408 WeakPolarHBondContact O-CG 3.49Å; I404-L408 PolarHBondContact O-N 3.22Å; T406-L408 VanDerWaalsContact C-N 3.34Å; T406-L408 PolarHBondContact O-N 3.35Å
409	A	73.7	Confident	78	Confident	19 Å²	19	69.6 Å²	69.6	16%	0.157	33%	0.326	C	S	.	.	H	α-helix	trans	-81.4	-24	-175.2	0	0	0	0	0	115	T405 T406	T405-A409 VanDerWaalsContact O-CB 3.23Å; T405-A409 WeakPolarHBondContact O-CB 3.47Å; T405-A409 PolarHBondContact O-N 3.1Å; T406-A409 PolarHBondContact O-N 2.67Å
410	T	71.8	Confident	77.5	Confident	57 Å²	57	69.3 Å²	69.3	35%	0.35	32%	0.324	S	S	.	.	H	α-helix	trans	-70.6	-32	-175.5	53.6	0	0	0	0	113.2	R179 T406 G407 N412	R179-T410 PolarHBondContact NH1-O 2.83Å; T406-T410 HydrophobicContact CG2-CG2 4.02Å; T406-T410 VanDerWaalsContact O-CG2 3.22Å; T406-T410 WeakPolarHBondContact O-CG2 3.44Å; T406-T410 PolarHBondContact O-N 3.02Å; T406-T410 VanDerWaalsContact O-N 3.14Å; T406-T410 PolarHBondContact O-OG1 3.29Å; G407-T410 PolarHBondContact O-OG1 3.27Å; T410-N412 VanDerWaalsContact C-N 3.27Å; T410-N412 PolarHBondContact O-N 3.26Å
411	G	67.5	Low	76.9	Confident	5 Å²	5	67 Å²	67	5%	0.052	32%	0.323	C	S	.	.			trans	74.6	12.8	-177.6	0	0	0	0	0	114.6	W413 T426	G411-W413 PolarHBondContact O-NE1 2.99Å; G411-T426 PolarHBondContact O-OG1 2.96Å
412	N	70.4	Confident	76.2	Confident	100 Å²	100	64.3 Å²	64.3	54%	0.535	31%	0.311	S	S	.	.			trans	-102.3	116	172.5	-74.4	-16.4	0	0	0	109.5	T410 V414	T410-N412 VanDerWaalsContact C-N 3.27Å; T410-N412 PolarHBondContact O-N 3.26Å; N412-V414 PolarHBondContact O-N 2.97Å
413	W	74.8	Confident	75.7	Confident	7 Å²	7	63.3 Å²	63.3	3%	0.027	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	68.2	-167.8	-59.7	71.6	0	0	0	109.9	I181 L361 I362 L365 G411 R422	I181-W413 HydrophobicContact CD1-CH2 4.41Å; I181-W413 HydrophobicContact CD1-CZ2 4.02Å; L361-W413 HydrophobicContact CB-CH2 4.44Å; L361-W413 HydrophobicContact CB-CZ3 4.18Å; L361-W413 WeakPolarHBondContact O-CZ3 3.41Å; I362-W413 HydrophobicContact CB-CH2 4.16Å; I362-W413 HydrophobicContact CG1-CH2 3.58Å; I362-W413 HydrophobicContact CG1-CZ2 4.38Å; I362-W413 HydrophobicContact CG1-CZ3 4.47Å; L365-W413 HydrophobicContact CB-CE3 3.51Å; L365-W413 HydrophobicContact CB-CH2 4.16Å; L365-W413 HydrophobicContact CB-CZ3 3.21Å; L365-W413 HydrophobicContact CD1-CE3 4.46Å; L365-W413 HydrophobicContact CD2-CD2 3.89Å; L365-W413 HydrophobicContact CD2-CE3 3.52Å; L365-W413 HydrophobicContact CD2-CH2 3.66Å; L365-W413 HydrophobicContact CD2-CZ2 4.06Å; L365-W413 HydrophobicContact CD2-CZ3 3.37Å; L365-W413 HydrophobicContact CG-CE3 4.01Å; L365-W413 HydrophobicContact CG-CZ3 3.89Å; G411-W413 PolarHBondContact O-NE1 2.99Å; W413-R422 HydrophobicContact CB-CB 4.32Å; W413-R422 PolarHBondContact N-O 2.82Å; W413-R422 PolarHBondContact O-N 2.96Å; W413-R422 VanDerWaalsContact O-N 3.13Å
414	V	78	Confident	74.9	Confident	73 Å²	73	64 Å²	64	44%	0.442	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	89.5	178.4	-171.9	0	0	0	0	108.5	N412 D421	N412-V414 PolarHBondContact O-N 2.97Å; V414-D421 WeakPolarHBondContact CG2-OD1 3.32Å
415	V	77.2	Confident	74.7	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.006	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	101.8	-179.1	-177.5	0	0	0	0	110	L365 D368 R417 F418 R419 M420	L365-V415 HydrophobicContact CD1-CG2 3.95Å; D368-V415 HydrophobicContact CB-CG1 3.61Å; D368-V415 HydrophobicContact CB-CG2 4.36Å; V415-R417 VanDerWaalsContact C-N 3.35Å; V415-R417 HydrophobicContact CG1-CB 4.41Å; V415-R417 PolarHBondContact O-N 3.16Å; V415-F418 HydrophobicContact CB-CD2 4.47Å; V415-F418 HydrophobicContact CG1-CB 4.31Å; V415-F418 HydrophobicContact CG1-CD2 3.43Å; V415-F418 VanDerWaalsContact CG1-CD2 3.43Å; V415-F418 HydrophobicContact CG1-CE2 4.19Å; V415-F418 HydrophobicContact CG1-CG 4.28Å; V415-R419 PolarHBondContact O-N 3.44Å; V415-M420 HydrophobicContact CB-CB 4.39Å; V415-M420 HydrophobicContact CB-CE 4.47Å; V415-M420 HydrophobicContact CG2-CE 4.15Å; V415-M420 PolarHBondContact N-O 2.69Å; V415-M420 PolarHBondContact O-N 2.97Å
416	R	77.9	Confident	74.8	Confident	225 Å²	225	63.5 Å²	63.5	85%	0.849	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-37.3	-177.3	-67	-175.9	179	-175.9	-0.9	112.4	F418 R419	R416-F418 VanDerWaalsContact C-N 3.31Å; R416-F418 PolarHBondContact O-N 3.43Å; R416-R419 PolarHBondContact O-N 3.02Å; R416-R419 VanDerWaalsContact O-N 3.11Å
417	R	73.2	Confident	75.1	Confident	110 Å²	110	62.4 Å²	62.4	42%	0.415	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-40.6	-177.5	-174.9	176.9	-73.2	124.2	-7.3	112.4	D368 K371 V415	D368-R417 WeakPolarHBondContact OD1-CB 3.48Å; D368-R417 IonicContact OD1-CZ 3.19Å; D368-R417 IonicContact OD1-NH1 2.73Å; D368-R417 PolarHBondContact OD1-NH1 3Å; K371-R417 VanDerWaalsContact CB-NH1 3.25Å; K371-R417 VanDerWaalsContact CB-NH2 3.31Å; V415-R417 VanDerWaalsContact C-N 3.35Å; V415-R417 HydrophobicContact CG1-CB 4.41Å; V415-R417 PolarHBondContact O-N 3.16Å
418	F	69.8	Low	75.8	Confident	73 Å²	73	66.2 Å²	66.2	32%	0.32	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	7.8	-179.8	-58.4	-64	0	0	0	113.6	I364 E367 V415 R416 M420	I364-F418 HydrophobicContact CG2-CD2 3.42Å; I364-F418 VanDerWaalsContact CG2-CD2 3.42Å; I364-F418 HydrophobicContact CG2-CE2 3.69Å; I364-F418 HydrophobicContact CG2-CG 4.24Å; E367-F418 WeakPolarHBondContact OE2-CZ 3.49Å; V415-F418 HydrophobicContact CB-CD2 4.47Å; V415-F418 HydrophobicContact CG1-CB 4.31Å; V415-F418 HydrophobicContact CG1-CD2 3.43Å; V415-F418 VanDerWaalsContact CG1-CD2 3.43Å; V415-F418 HydrophobicContact CG1-CE2 4.19Å; V415-F418 HydrophobicContact CG1-CG 4.28Å; R416-F418 VanDerWaalsContact C-N 3.31Å; R416-F418 PolarHBondContact O-N 3.43Å; F418-M420 HydrophobicContact CB-CB 4.26Å; F418-M420 PolarHBondContact O-N 2.63Å
419	R	71.1	Confident	76.5	Confident	187 Å²	187	65.7 Å²	65.7	71%	0.706	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.3	45.7	-172	-59.3	-176.6	-177	179.3	0.7	111.3	V415 R416	V415-R419 PolarHBondContact O-N 3.44Å; R416-R419 PolarHBondContact O-N 3.02Å; R416-R419 VanDerWaalsContact O-N 3.11Å
420	M	73.1	Confident	77.4	Confident	16 Å²	16	66.9 Å²	66.9	8%	0.079	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	103.2	-175.5	-174.4	170.9	91.2	0	0	108.3	I364 V415 F418 R422	I364-M420 HydrophobicContact CG2-CE 3.91Å; I364-M420 HydrophobicContact CG2-SD 4.46Å; V415-M420 HydrophobicContact CB-CB 4.39Å; V415-M420 HydrophobicContact CB-CE 4.47Å; V415-M420 HydrophobicContact CG2-CE 4.15Å; V415-M420 PolarHBondContact N-O 2.69Å; V415-M420 PolarHBondContact O-N 2.97Å; F418-M420 HydrophobicContact CB-CB 4.26Å; F418-M420 PolarHBondContact O-N 2.63Å; M420-R422 HydrophobicContact CG-CG 3.7Å; M420-R422 HydrophobicContact SD-CG 4.45Å; M420-R422 PolarHBondContact SD-NE 2.97Å; M420-R422 PolarHBondContact SD-NH2 2.81Å
421	D	75.1	Confident	78.3	Confident	106 Å²	106	65.2 Å²	65.2	57%	0.567	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.8	86.9	174.9	-161.5	4.3	0	0	0	108.3	V414 H423	V414-D421 WeakPolarHBondContact CG2-OD1 3.32Å; D421-H423 IonicContact OD1-CE1 3.91Å; D421-H423 IonicContact OD1-NE2 3.6Å; D421-H423 PolarHBondContact OD1-NE2 3.15Å
422	R	72.6	Confident	79.5	Confident	40 Å²	40	65.9 Å²	65.9	15%	0.151	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	117.3	-176.9	-63.6	-171.3	-156.7	-179.4	21	110.8	Q186 E356 W413 M420 V425	Q186-R422 VanDerWaalsContact NE2-CZ 3.29Å; E356-R422 IonicContact OE1-NH2 3.86Å; E356-R422 IonicContact OE2-CZ 3.33Å; E356-R422 IonicContact OE2-NH1 2.96Å; E356-R422 PolarHBondContact OE2-NH1 3.12Å; E356-R422 IonicContact OE2-NH2 2.79Å; E356-R422 PolarHBondContact OE2-NH2 3.15Å; W413-R422 HydrophobicContact CB-CB 4.32Å; W413-R422 PolarHBondContact N-O 2.82Å; W413-R422 PolarHBondContact O-N 2.96Å; W413-R422 VanDerWaalsContact O-N 3.13Å; M420-R422 HydrophobicContact CG-CG 3.7Å; M420-R422 HydrophobicContact SD-CG 4.45Å; M420-R422 PolarHBondContact SD-NE 2.97Å; M420-R422 PolarHBondContact SD-NH2 2.81Å; R422-V425 HydrophobicContact CB-CG2 3.55Å; R422-V425 HydrophobicContact CG-CG2 4.46Å
423	H	73.8	Confident	80.5	Confident	130 Å²	130	61.1 Å²	61.1	60%	0.602	29%	0.293	S	S	*	.			trans	-101.8	150.4	169.3	-58.7	-60.8	0	0	0	110.7	D421 V425	D421-H423 IonicContact OD1-CE1 3.91Å; D421-H423 IonicContact OD1-NE2 3.6Å; D421-H423 PolarHBondContact OD1-NE2 3.15Å; H423-V425 VanDerWaalsContact C-N 3.29Å; H423-V425 PolarHBondContact O-N 2.69Å
424	G	69.1	Low	81.4	Confident	43 Å²	43	61.6 Å²	61.6	44%	0.443	30%	0.295	S	S	.	.	S	Bend	trans	72.4	13.8	172.7	0	0	0	0	0	116.2	T426	G424-T426 VanDerWaalsContact C-N 3.29Å; G424-T426 PolarHBondContact O-N 3.36Å
425	V	78.4	Confident	82.2	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.018	28%	0.275	C	S	.	.			trans	-61.4	-40.1	173.9	177.2	0	0	0	0	111	I181 L182 L361 R422 H423	I181-V425 HydrophobicContact CG2-CG1 3.87Å; L182-V425 PolarHBondContact N-O 2.98Å; L361-V425 HydrophobicContact CD1-CG1 4.02Å; R422-V425 HydrophobicContact CB-CG2 3.55Å; R422-V425 HydrophobicContact CG-CG2 4.46Å; H423-V425 VanDerWaalsContact C-N 3.29Å; H423-V425 PolarHBondContact O-N 2.69Å
426	T	85.6	Confident	82.9	Confident	29 Å²	29	58.5 Å²	58.5	18%	0.178	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	130.2	174.7	66.4	0	0	0	0	110.1	V180 I181 G411 G424	V180-T426 WeakPolarHBondContact O-CA 3.42Å; I181-T426 HydrophobicContact CG1-CG2 4.09Å; G411-T426 PolarHBondContact O-OG1 2.96Å; G424-T426 VanDerWaalsContact C-N 3.29Å; G424-T426 PolarHBondContact O-N 3.36Å
427	Q	88.2	Confident	83.7	Confident	50 Å²	50	47.8 Å²	47.8	23%	0.234	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	149.9	175.6	-65.9	-174.4	8.6	0	0	110.4	R179 V180 L182 M440	R179-Q427 CarbonylContact C-O 3.54Å; R179-Q427 WeakPolarHBondContact CA-O 3.28Å; V180-Q427 PolarHBondContact N-O 3.32Å; V180-Q427 PolarHBondContact O-N 3.09Å; L182-Q427 VanDerWaalsContact CD1-CD 3.42Å; L182-Q427 HydrophobicContact CD1-CG 4.2Å; L182-Q427 VanDerWaalsContact CD1-NE2 3.3Å; Q427-M440 HydrophobicContact CB-CE 3.38Å
428	V	91.8	Very high	84.6	Confident	98 Å²	98	43 Å²	43	59%	0.594	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	129.8	176.2	178.9	0	0	0	0	109.5	E178 S430 M440	E178-V428 WeakPolarHBondContact O-CA 3.35Å; V428-S430 PolarHBondContact O-N 3.41Å; V428-M440 VanDerWaalsContact O-CE 3.24Å; V428-M440 WeakPolarHBondContact O-CE 3.25Å
429	L	93	Very high	85.7	Confident	8 Å²	8	39.5 Å²	39.5	4%	0.042	20%	0.203	C	C	.	.			trans	-60.8	128.5	179.7	-177.1	61.4	0	0	0	110.6	Y171 E178 V180 R431 A437 M440 M441	Y171-L429 HydrophobicContact CD1-CD2 3.87Å; Y171-L429 HydrophobicContact CD2-CD2 4.48Å; Y171-L429 HydrophobicContact CE1-CD2 4.05Å; Y171-L429 HydrophobicContact CG-CD2 4.12Å; E178-L429 HydrophobicContact CB-CB 4.05Å; E178-L429 PolarHBondContact O-N 3.26Å; V180-L429 HydrophobicContact CG2-CB 3.86Å; V180-L429 HydrophobicContact CG2-CD1 3.61Å; V180-L429 HydrophobicContact CG2-CG 4.22Å; L429-R431 HydrophobicContact CG-CG 4.49Å; L429-R431 PolarHBondContact O-N 3.02Å; L429-A437 HydrophobicContact CD1-CB 4.23Å; L429-A437 HydrophobicContact CD2-CB 4.5Å; L429-M440 HydrophobicContact CD1-CB 4.08Å; L429-M440 HydrophobicContact CD1-CG 4.25Å; L429-M440 HydrophobicContact CD1-SD 4.18Å; L429-M441 HydrophobicContact CD1-SD 4.11Å
430	S	91.8	Very high	86.8	Confident	44 Å²	44	30.9 Å²	30.9	31%	0.308	17%	0.171	S	C	.	.			trans	-83.5	96.2	-178.7	-168.4	0	0	0	0	111.8	V428 L432 S436 M440	V428-S430 PolarHBondContact O-N 3.41Å; S430-L432 VanDerWaalsContact C-N 3.35Å; S430-L432 PolarHBondContact O-N 2.75Å; S430-S436 WeakPolarHBondContact CB-OG 3.21Å; S430-S436 CarbonylContact O-C 3.6Å; S430-S436 WeakPolarHBondContact O-CB 3.4Å; S430-S436 PolarHBondContact O-OG 3.2Å; S430-S436 PolarHBondContact OG-OG 3.05Å; S430-M440 PolarHBondContact N-SD 3.24Å; S430-M440 VanDerWaalsContact N-SD 3.43Å
431	R	91.9	Very high	87.7	Confident	22 Å²	22	30.1 Å²	30.1	8%	0.083	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	54.9	178	-67.9	-68.7	-169.1	178.6	0.7	113.3	D167 Y171 E178 L429 V686	D167-R431 IonicContact OD1-CZ 3.87Å; D167-R431 VanDerWaalsContact OD1-CZ 3.25Å; D167-R431 IonicContact OD1-NH1 3.61Å; D167-R431 PolarHBondContact OD1-NH1 2.9Å; D167-R431 IonicContact OD1-NH2 3.66Å; D167-R431 PolarHBondContact OD1-NH2 3.23Å; D167-R431 IonicContact OD2-NH2 3.56Å; D167-R431 PolarHBondContact OD2-NH2 3.32Å; D167-R431 VanDerWaalsContact OD2-NH2 3.17Å; Y171-R431 VanDerWaalsContact CZ-NH2 3.26Å; Y171-R431 PolarHBondContact OH-NH2 3.36Å; E178-R431 IonicContact OE1-NH2 2.65Å; E178-R431 IonicContact OE2-CZ 3.63Å; E178-R431 IonicContact OE2-NE 3.65Å; E178-R431 PolarHBondContact OE2-NE 3.4Å; E178-R431 IonicContact OE2-NH2 3.06Å; E178-R431 PolarHBondContact OE2-NH2 3.19Å; L429-R431 HydrophobicContact CG-CG 4.49Å; L429-R431 PolarHBondContact O-N 3.02Å; R431-V686 HydrophobicContact CB-CG1 4.01Å; R431-V686 HydrophobicContact CG-CG1 4.38Å
432	L	92.1	Very high	88.5	Confident	18 Å²	18	25.4 Å²	25.4	9%	0.094	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-37	172.1	-65.8	175.4	0	0	0	112.4	S430 K680 Y699 K1005	S430-L432 VanDerWaalsContact C-N 3.35Å; S430-L432 PolarHBondContact O-N 2.75Å; L432-K680 WeakPolarHBondContact CD1-O 3.47Å; L432-Y699 HydrophobicContact CD2-CD2 3.61Å; L432-Y699 HydrophobicContact CD2-CE2 3.9Å; L432-K1005 HydrophobicContact CD1-CD 3.84Å; L432-K1005 HydrophobicContact CD2-CD 4.31Å
433	S	92.7	Very high	89.5	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-156.3	165.5	177.3	61.9	0	0	0	0	108.4	I435 S436 A437	S433-I435 PolarHBondContact O-N 3.25Å; S433-S436 WeakPolarHBondContact O-CB 3.31Å; S433-S436 PolarHBondContact O-N 3.47Å; S433-S436 VanDerWaalsContact O-N 3.16Å; S433-S436 PolarHBondContact OG-N 2.86Å; S433-A437 PolarHBondContact O-N 2.86Å
434	Y	93.5	Very high	90.5	Very high	18 Å²	18	19.4 Å²	19.4	7%	0.071	11%	0.114	C	C	.	.	H	α-helix	trans	-54.3	-42.5	172.5	-176.9	-117.8	0	0	0	112.5	L166 S436 A437 L438 F685 I719 L722	L166-Y434 HydrophobicContact CB-CE2 4.42Å; L166-Y434 WeakPolarHBondContact O-CE2 3.4Å; L166-Y434 PolarHBondContact O-OH 2.92Å; Y434-S436 PolarHBondContact O-N 3.13Å; Y434-A437 WeakPolarHBondContact O-CB 3.24Å; Y434-A437 PolarHBondContact O-N 3.06Å; Y434-L438 HydrophobicContact CD1-CD1 3.92Å; Y434-L438 HydrophobicContact CE1-CD1 3.38Å; Y434-L438 HydrophobicContact CE1-CG 4.22Å; Y434-L438 HydrophobicContact CE2-CD1 4.39Å; Y434-L438 HydrophobicContact CE2-CG 4.4Å; Y434-L438 PolarHBondContact O-N 3.34Å; Y434-L438 VanDerWaalsContact O-N 3.1Å; Y434-F685 PolarHBondContact N-O 2.7Å; Y434-I719 HydrophobicContact CD1-CG1 4.18Å; Y434-I719 HydrophobicContact CE1-CG1 4.22Å; Y434-L722 HydrophobicContact CD1-CD1 4.45Å; Y434-L722 HydrophobicContact CD2-CD1 3.93Å; Y434-L722 HydrophobicContact CE2-CD1 4.43Å; Y434-L722 HydrophobicContact CG-CB 4.41Å; Y434-L722 HydrophobicContact CG-CD1 3.94Å
435	I	93.5	Very high	91.6	Very high	4 Å²	4	18.4 Å²	18.4	2%	0.021	10%	0.099	C	C	.	.	H	α-helix	trans	-59.3	-43.5	176.8	-66	155.7	0	0	0	111.8	S433 A437 L438 G439 L660 I719 A724	S433-I435 PolarHBondContact O-N 3.25Å; I435-A437 VanDerWaalsContact C-N 3.29Å; I435-A437 PolarHBondContact O-N 3.38Å; I435-L438 PolarHBondContact O-N 3.3Å; I435-G439 PolarHBondContact O-N 3.15Å; I435-L660 HydrophobicContact CB-CD1 4.38Å; I435-L660 HydrophobicContact CD1-CD1 3.61Å; I435-L660 HydrophobicContact CD1-CD2 4.17Å; I435-L660 HydrophobicContact CG1-CD1 3.94Å; I435-L660 HydrophobicContact CG1-CD2 4.41Å; I435-L660 HydrophobicContact CG2-CD1 3.55Å; I435-I719 HydrophobicContact CD1-CG2 4.04Å; I435-I719 HydrophobicContact CG1-CD1 4.23Å; I435-I719 HydrophobicContact CG1-CG2 4.08Å; I435-A724 HydrophobicContact CD1-CB 4.13Å
436	S	93.5	Very high	92	Very high	5 Å²	5	18.7 Å²	18.7	4%	0.035	10%	0.101	C	C	.	.	H	α-helix	trans	-62.9	-37.5	179.8	177.8	0	0	0	0	111.8	S430 S433 Y434 M440 K680	S430-S436 WeakPolarHBondContact CB-OG 3.21Å; S430-S436 CarbonylContact O-C 3.6Å; S430-S436 WeakPolarHBondContact O-CB 3.4Å; S430-S436 PolarHBondContact O-OG 3.2Å; S430-S436 PolarHBondContact OG-OG 3.05Å; S433-S436 WeakPolarHBondContact O-CB 3.31Å; S433-S436 PolarHBondContact O-N 3.47Å; S433-S436 VanDerWaalsContact O-N 3.16Å; S433-S436 PolarHBondContact OG-N 2.86Å; Y434-S436 PolarHBondContact O-N 3.13Å; S436-M440 WeakPolarHBondContact O-CB 3.33Å; S436-M440 PolarHBondContact O-N 2.75Å; S436-K680 WeakPolarHBondContact CB-O 3.35Å
437	A	93.4	Very high	91.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.7	-52.3	175.8	0	0	0	0	0	110.8	L429 S433 Y434 I435 G439 M440 M441	L429-A437 HydrophobicContact CD1-CB 4.23Å; L429-A437 HydrophobicContact CD2-CB 4.5Å; S433-A437 PolarHBondContact O-N 2.86Å; Y434-A437 WeakPolarHBondContact O-CB 3.24Å; Y434-A437 PolarHBondContact O-N 3.06Å; I435-A437 VanDerWaalsContact C-N 3.29Å; I435-A437 PolarHBondContact O-N 3.38Å; A437-G439 PolarHBondContact O-N 2.95Å; A437-M440 WeakPolarHBondContact O-CB 3.3Å; A437-M440 PolarHBondContact O-N 3.45Å; A437-M441 WeakPolarHBondContact O-CG 3.3Å; A437-M441 PolarHBondContact O-N 2.83Å; A437-M441 VanDerWaalsContact O-N 3.17Å
438	L	92.5	Very high	91.2	Very high	9 Å²	9	27.1 Å²	27.1	5%	0.047	13%	0.133	C	C	.	.	H	α-helix	trans	-59.3	-42.9	177.9	-71.2	176.2	0	0	0	113.2	P168 Y434 I435 M440 M441 T442 V656	P168-L438 HydrophobicContact CB-CD2 3.69Å; P168-L438 HydrophobicContact CG-CD2 3.84Å; Y434-L438 HydrophobicContact CD1-CD1 3.92Å; Y434-L438 HydrophobicContact CE1-CD1 3.38Å; Y434-L438 HydrophobicContact CE1-CG 4.22Å; Y434-L438 HydrophobicContact CE2-CD1 4.39Å; Y434-L438 HydrophobicContact CE2-CG 4.4Å; Y434-L438 PolarHBondContact O-N 3.34Å; Y434-L438 VanDerWaalsContact O-N 3.1Å; I435-L438 PolarHBondContact O-N 3.3Å; L438-M440 PolarHBondContact O-N 3.19Å; L438-M441 PolarHBondContact O-N 3.39Å; L438-T442 PolarHBondContact O-N 3.1Å; L438-T442 PolarHBondContact O-OG1 3.14Å; L438-T442 VanDerWaalsContact O-OG1 3.1Å; L438-V656 HydrophobicContact CB-CG1 3.97Å; L438-V656 HydrophobicContact CD1-CG1 4.26Å
439	G	92.4	Very high	90.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-70	-10.9	177.7	0	0	0	0	0	114.2	I435 A437	I435-G439 PolarHBondContact O-N 3.15Å; A437-G439 PolarHBondContact O-N 2.95Å
440	M	93.9	Very high	89.6	Confident	5 Å²	5	32.5 Å²	32.5	3%	0.025	15%	0.147	C	C	.	.	H	α-helix	trans	-90.7	-33.8	170.2	-172.9	159.5	178.9	0	0	111.8	V180 L182 Q427 V428 L429 S430 S436 A437 L438 T442 R443	V180-M440 HydrophobicContact CB-CE 4.5Å; L182-M440 HydrophobicContact CD2-CE 4.45Å; L182-M440 HydrophobicContact CD2-CG 4.43Å; Q427-M440 HydrophobicContact CB-CE 3.38Å; V428-M440 VanDerWaalsContact O-CE 3.24Å; V428-M440 WeakPolarHBondContact O-CE 3.25Å; L429-M440 HydrophobicContact CD1-CB 4.08Å; L429-M440 HydrophobicContact CD1-CG 4.25Å; L429-M440 HydrophobicContact CD1-SD 4.18Å; S430-M440 PolarHBondContact N-SD 3.24Å; S430-M440 VanDerWaalsContact N-SD 3.43Å; S436-M440 WeakPolarHBondContact O-CB 3.33Å; S436-M440 PolarHBondContact O-N 2.75Å; A437-M440 WeakPolarHBondContact O-CB 3.3Å; A437-M440 PolarHBondContact O-N 3.45Å; L438-M440 PolarHBondContact O-N 3.19Å; M440-T442 VanDerWaalsContact C-N 3.31Å; M440-T442 PolarHBondContact O-N 3.26Å; M440-R443 WeakPolarHBondContact O-CB 3.01Å; M440-R443 PolarHBondContact O-N 3.48Å
441	M	92.5	Very high	88.6	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-66.4	-31.6	178	-61.8	-47.5	-63	0	0	113.3	V47 H50 P168 G169 G170 V180 L429 A437 L438	V47-M441 HydrophobicContact CG1-CB 4.32Å; V47-M441 HydrophobicContact CG1-CE 3.72Å; V47-M441 HydrophobicContact CG1-CG 4.37Å; V47-M441 HydrophobicContact CG2-CB 3.78Å; V47-M441 HydrophobicContact CG2-CG 4.18Å; H50-M441 PolarHBondContact NE2-O 3.37Å; P168-M441 HydrophobicContact CB-CG 4.48Å; P168-M441 HydrophobicContact CG-CG 4.4Å; G169-M441 WeakPolarHBondContact O-CE 3.46Å; G170-M441 VanDerWaalsContact C-CE 3.47Å; G170-M441 VanDerWaalsContact O-CE 3.26Å; G170-M441 WeakPolarHBondContact O-CE 3.32Å; V180-M441 HydrophobicContact CB-SD 4.48Å; V180-M441 HydrophobicContact CG1-CE 3.99Å; V180-M441 HydrophobicContact CG1-SD 3.81Å; V180-M441 HydrophobicContact CG2-SD 3.77Å; L429-M441 HydrophobicContact CD1-SD 4.11Å; A437-M441 WeakPolarHBondContact O-CG 3.3Å; A437-M441 PolarHBondContact O-N 2.83Å; A437-M441 VanDerWaalsContact O-N 3.17Å; L438-M441 PolarHBondContact O-N 3.39Å
442	T	92.9	Very high	87.8	Confident	6 Å²	6	41.7 Å²	41.7	4%	0.037	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	5.7	-177.9	49.4	0	0	0	0	113.9	L46 L438 M440 S484 L485 V656	L46-T442 HydrophobicContact CB-CG2 4.37Å; L438-T442 PolarHBondContact O-N 3.1Å; L438-T442 PolarHBondContact O-OG1 3.14Å; L438-T442 VanDerWaalsContact O-OG1 3.1Å; M440-T442 VanDerWaalsContact C-N 3.31Å; M440-T442 PolarHBondContact O-N 3.26Å; T442-S484 WeakPolarHBondContact O-CA 3.16Å; T442-L485 PolarHBondContact O-N 2.84Å; T442-L485 VanDerWaalsContact O-N 3.07Å; T442-V656 HydrophobicContact CG2-CG2 4.37Å
443	R	93.8	Very high	87.1	Confident	44 Å²	44	49.8 Å²	49.8	17%	0.166	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	133.6	-172.4	-172.8	-176.1	-63.3	173.5	6.4	112.1	L182 M440 I482 K483	L182-R443 HydrophobicContact CD2-CB 4.32Å; M440-R443 WeakPolarHBondContact O-CB 3.01Å; M440-R443 PolarHBondContact O-N 3.48Å; R443-I482 VanDerWaalsContact CD-CG2 3.49Å; R443-I482 HydrophobicContact CG-CG2 3.5Å; R443-K483 WeakPolarHBondContact CA-O 3.34Å
444	I	93.8	Very high	86.5	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	135.8	172.5	-53.9	171.7	0	0	0	108.9	I183 E185 L355 L468 I482 K483 L485	I183-I444 HydrophobicContact CB-CG1 4.24Å; I183-I444 HydrophobicContact CD1-CG1 4.45Å; I183-I444 HydrophobicContact CG2-CG1 4.28Å; I183-I444 HydrophobicContact CG2-CG2 4.44Å; E185-I444 HydrophobicContact CB-CG2 4.05Å; L355-I444 HydrophobicContact CD1-CD1 3.72Å; L355-I444 HydrophobicContact CD1-CG1 4.39Å; L355-I444 HydrophobicContact CD2-CD1 4.32Å; L355-I444 HydrophobicContact CD2-CG2 3.88Å; I444-L468 HydrophobicContact CD1-CD1 4.49Å; I444-L468 HydrophobicContact CD1-CD2 3.38Å; I444-I482 WeakPolarHBondContact O-CA 3.4Å; I444-K483 PolarHBondContact N-O 2.96Å; I444-K483 PolarHBondContact O-N 3.42Å; I444-L485 HydrophobicContact CD1-CD2 3.78Å; I444-L485 HydrophobicContact CD1-CG 4.01Å; I444-L485 HydrophobicContact CG1-CG 4.33Å
445	N	91.8	Very high	85.9	Confident	23 Å²	23	55.3 Å²	55.3	12%	0.123	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.3	175	-173.8	57.6	0	0	0	110	L182 I183 Q184 E185	L182-N445 HydrophobicContact CD1-CB 4.44Å; I183-N445 PolarHBondContact O-N 2.99Å; Q184-N445 PolarHBondContact OE1-ND2 3.35Å; E185-N445 PolarHBondContact N-O 3.29Å
446	S	87.8	Confident	85.5	Confident	9 Å²	9	56.8 Å²	56.8	6%	0.063	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	152.4	172	-171.6	0	0	0	0	111.6	L448 L481	S446-L448 VanDerWaalsContact C-N 3.31Å; S446-L448 PolarHBondContact O-N 2.75Å; S446-L481 VanDerWaalsContact CB-O 3.32Å; S446-L481 WeakPolarHBondContact CB-O 3.29Å; S446-L481 PolarHBondContact N-O 3.48Å
447	R	80.2	Confident	85.2	Confident	173 Å²	173	57.2 Å²	57.2	65%	0.653	29%	0.292	S	S	*	.	S	Bend	trans	-72.3	-21.8	179.3	-175.8	175.5	175.6	-161.6	-4.6	113.5
448	L	76.6	Confident	85.1	Confident	83 Å²	83	59.6 Å²	59.6	44%	0.435	30%	0.301	S	S	.	.	S	Bend	trans	-64.2	142.1	-172.8	-67.4	167.6	0	0	0	112.3	S446 R450 P457 L481	S446-L448 VanDerWaalsContact C-N 3.31Å; S446-L448 PolarHBondContact O-N 2.75Å; L448-R450 PolarHBondContact O-N 2.7Å; L448-P457 HydrophobicContact CD1-CB 3.44Å; L448-P457 VanDerWaalsContact CD1-CB 3.44Å; L448-P457 HydrophobicContact CD1-CG 3.26Å; L448-L481 HydrophobicContact CB-CD2 4Å; L448-L481 HydrophobicContact CD1-CD2 4.14Å
449	E	72.3	Confident	85.1	Confident	113 Å²	113	61.6 Å²	61.6	53%	0.528	32%	0.319	S	S	.	.			trans	-63.3	128.3	174.7	-70.7	172.5	174.4	0	0	110.3	C451 R452	E449-C451 PolarHBondContact O-N 3.38Å; E449-R452 HydrophobicContact CB-CG 4.26Å; E449-R452 PolarHBondContact O-N 2.98Å; E449-R452 VanDerWaalsContact O-N 3.12Å; E449-R452 IonicContact OE1-NH2 3.76Å; E449-R452 IonicContact OE2-CZ 3.76Å; E449-R452 IonicContact OE2-NE 3.87Å; E449-R452 PolarHBondContact OE2-NE 3.36Å; E449-R452 IonicContact OE2-NH2 2.83Å; E449-R452 PolarHBondContact OE2-NH2 3.13Å; E449-R452 VanDerWaalsContact OE2-NH2 3.08Å
450	R	77.7	Confident	85.2	Confident	105 Å²	105	66.6 Å²	66.6	40%	0.396	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-30.3	-175.2	-61.1	-179.2	-174.8	169.2	3.2	113.3	L448 R452 R458 E477 L481	L448-R450 PolarHBondContact O-N 2.7Å; R450-R452 VanDerWaalsContact C-N 3.26Å; R450-R452 PolarHBondContact O-N 3.05Å; R450-R458 PolarHBondContact O-NH2 3.26Å; R450-E477 HydrophobicContact CB-CG 3.95Å; R450-E477 WeakPolarHBondContact CB-OE1 3.11Å; R450-L481 HydrophobicContact CB-CD1 4.4Å; R450-L481 HydrophobicContact CG-CD1 4.15Å
451	C	71.1	Confident	85.2	Confident	105 Å²	105	68.4 Å²	68.4	71%	0.709	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-22.9	179.1	-56	0	0	0	0	113.3	E449 Q453 E477	E449-C451 PolarHBondContact O-N 3.38Å; C451-Q453 PolarHBondContact O-N 2.85Å; C451-E477 PolarHBondContact N-OE1 3.27Å
452	R	75.6	Confident	85.3	Confident	155 Å²	155	73.7 Å²	73.7	59%	0.585	39%	0.388	S	S	*	.			trans	-79.3	117.7	-179.2	-63.7	-171.4	-167.4	-161.4	1.2	109.9	E449 R450 V454 R458	E449-R452 HydrophobicContact CB-CG 4.26Å; E449-R452 PolarHBondContact O-N 2.98Å; E449-R452 VanDerWaalsContact O-N 3.12Å; E449-R452 IonicContact OE1-NH2 3.76Å; E449-R452 IonicContact OE2-CZ 3.76Å; E449-R452 IonicContact OE2-NE 3.87Å; E449-R452 PolarHBondContact OE2-NE 3.36Å; E449-R452 IonicContact OE2-NH2 2.83Å; E449-R452 PolarHBondContact OE2-NH2 3.13Å; E449-R452 VanDerWaalsContact OE2-NH2 3.08Å; R450-R452 VanDerWaalsContact C-N 3.26Å; R450-R452 PolarHBondContact O-N 3.05Å; R452-V454 HydrophobicContact CB-CG2 4.27Å; R452-V454 PolarHBondContact O-N 3.44Å; R452-R458 PolarHBondContact O-NH2 3.13Å
453	Q	77.7	Confident	85.4	Confident	188 Å²	188	74.3 Å²	74.3	88%	0.879	39%	0.393	S	S	*	.			trans	-85.2	55.8	179.4	-63	-176.3	-8.9	0	0	111.4	C451	C451-Q453 PolarHBondContact O-N 2.85Å
454	V	80.5	Confident	85.4	Confident	82 Å²	82	72.7 Å²	72.7	50%	0.497	39%	0.387	S	S	.	.			trans	-87.4	121	173.9	-169.7	0	0	0	0	108.8	R452 P457 R458	R452-V454 HydrophobicContact CB-CG2 4.27Å; R452-V454 PolarHBondContact O-N 3.44Å; V454-P457 HydrophobicContact CB-CG 4.41Å; V454-P457 HydrophobicContact CG1-CG 4.36Å; V454-R458 VanDerWaalsContact O-CD 3.3Å; V454-R458 WeakPolarHBondContact O-CD 3.02Å; V454-R458 WeakPolarHBondContact O-CG 3.06Å
455	G	81.2	Confident	85.5	Confident	52 Å²	52	78.7 Å²	78.7	54%	0.536	41%	0.409	S	S	.	.	S	Bend	trans	-70.9	-38.3	-176.6	0	0	0	0	0	114.5	R458 A459	G455-R458 PolarHBondContact O-N 2.96Å; G455-A459 PolarHBondContact O-N 3.11Å
456	G	84.6	Confident	85.5	Confident	35 Å²	35	77.6 Å²	77.6	36%	0.361	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-48.6	-64.2	-174.7	0	0	0	0	0	115	D348 R458 A459	D348-G456 VanDerWaalsContact OD2-C 3.26Å; G456-R458 PolarHBondContact O-N 3.2Å; G456-R458 VanDerWaalsContact O-N 3.15Å; G456-A459 PolarHBondContact O-N 3.21Å
457	P	87.3	Confident	85.8	Confident	14 Å²	14	77.1 Å²	77.1	9%	0.091	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-71.8	-12.4	-175.5	26.6	-34.9	0	0	0	113.9	D348 L448 V454	D348-P457 WeakPolarHBondContact OD1-CA 3.47Å; D348-P457 WeakPolarHBondContact OD1-CB 3.43Å; D348-P457 VanDerWaalsContact OD2-CA 3.24Å; D348-P457 WeakPolarHBondContact OD2-CA 3.37Å; D348-P457 VanDerWaalsContact OD2-N 3.1Å; L448-P457 HydrophobicContact CD1-CB 3.44Å; L448-P457 VanDerWaalsContact CD1-CB 3.44Å; L448-P457 HydrophobicContact CD1-CG 3.26Å; V454-P457 HydrophobicContact CB-CG 4.41Å; V454-P457 HydrophobicContact CG1-CG 4.36Å
458	R	91	Very high	86.5	Confident	50 Å²	50	69 Å²	69	19%	0.189	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-90.1	-23.8	178.2	-64.2	179.4	-178.9	-98.1	9.9	112.4	R450 R452 V454 G455 G456 E477 C479 G480 L481	R450-R458 PolarHBondContact O-NH2 3.26Å; R452-R458 PolarHBondContact O-NH2 3.13Å; V454-R458 VanDerWaalsContact O-CD 3.3Å; V454-R458 WeakPolarHBondContact O-CD 3.02Å; V454-R458 WeakPolarHBondContact O-CG 3.06Å; G455-R458 PolarHBondContact O-N 2.96Å; G456-R458 PolarHBondContact O-N 3.2Å; G456-R458 VanDerWaalsContact O-N 3.15Å; R458-E477 PolarHBondContact NH1-O 3.14Å; R458-C479 PolarHBondContact NH1-O 3.38Å; R458-G480 WeakPolarHBondContact O-CA 3.27Å; R458-L481 HydrophobicContact CG-CD2 4.05Å; R458-L481 HydrophobicContact CG-CG 4.27Å
459	A	92.6	Very high	87.5	Confident	51 Å²	51	65.4 Å²	65.4	42%	0.421	35%	0.352	S	S	.	.	S	Bend	trans	-67.9	149.8	175.9	0	0	0	0	0	110.6	G455 G456 Q461	G455-A459 PolarHBondContact O-N 3.11Å; G456-A459 PolarHBondContact O-N 3.21Å; A459-Q461 PolarHBondContact O-N 2.96Å
460	L	94.4	Very high	88.6	Confident	105 Å²	105	62.5 Å²	62.5	55%	0.55	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-72.9	117.6	173.4	179.1	66.1	0	0	0	108.7	Q464 P470	L460-Q464 HydrophobicContact CD1-CB 4.42Å; L460-P470 HydrophobicContact CD1-CB 4.25Å; L460-P470 HydrophobicContact CD2-CB 3.7Å
461	Q	93.6	Very high	89.4	Confident	42 Å²	42	58 Å²	58	20%	0.196	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-89.6	140.4	178.6	-65.9	-67.9	-5.7	0	0	110.6	D348 A459 S463 Q464	D348-Q461 HydrophobicContact CB-CG 4.15Å; A459-Q461 PolarHBondContact O-N 2.96Å; Q461-S463 PolarHBondContact O-N 3.42Å; Q461-Q464 HydrophobicContact CB-CG 4.33Å; Q461-Q464 WeakPolarHBondContact O-CB 3.4Å; Q461-Q464 PolarHBondContact O-N 3.32Å; Q461-Q464 VanDerWaalsContact O-N 3.08Å
462	P	94.9	Very high	90.6	Very high	113 Å²	113	53.1 Å²	53.1	73%	0.734	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-58.2	-29.9	176	-26.3	35.3	0	0	0	113.9	Q464 W465	P462-Q464 PolarHBondContact O-N 2.87Å; P462-W465 WeakPolarHBondContact O-CB 3.35Å; P462-W465 PolarHBondContact O-N 2.98Å
463	S	94.1	Very high	91.5	Very high	19 Å²	19	46.8 Å²	46.8	13%	0.133	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-62.3	-5.3	175.3	59.2	0	0	0	0	115	F349 Y350 Q461	F349-S463 VanDerWaalsContact CD2-CB 3.43Å; Y350-S463 PolarHBondContact N-OG 3.36Å; Q461-S463 PolarHBondContact O-N 3.42Å
464	Q	94.5	Very high	92.2	Very high	10 Å²	10	39.6 Å²	39.6	5%	0.047	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-90.4	-2.9	175.9	-63.1	177.9	34.6	0	0	113.1	Y350 L460 Q461 P462 G466 M467 L468	Y350-Q464 HydrophobicContact CD2-CG 3.53Å; Y350-Q464 HydrophobicContact CE2-CG 3.43Å; Y350-Q464 VanDerWaalsContact CE2-CG 3.43Å; Y350-Q464 VanDerWaalsContact CE2-NE2 3.31Å; Y350-Q464 HydrophobicContact CG-CG 4.16Å; L460-Q464 HydrophobicContact CD1-CB 4.42Å; Q461-Q464 HydrophobicContact CB-CG 4.33Å; Q461-Q464 WeakPolarHBondContact O-CB 3.4Å; Q461-Q464 PolarHBondContact O-N 3.32Å; Q461-Q464 VanDerWaalsContact O-N 3.08Å; P462-Q464 PolarHBondContact O-N 2.87Å; Q464-G466 PolarHBondContact O-N 3.17Å; Q464-M467 PolarHBondContact O-N 3.02Å; Q464-M467 VanDerWaalsContact O-N 3.11Å; Q464-L468 HydrophobicContact CB-CB 4.22Å; Q464-L468 HydrophobicContact CG-CD1 4.15Å; Q464-L468 PolarHBondContact O-N 2.98Å
465	W	95	Very high	92.6	Very high	125 Å²	125	41.4 Å²	41.4	47%	0.473	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	129.7	-180	178.9	-93.6	0	0	0	111.3	P462 M467 I653	P462-W465 WeakPolarHBondContact O-CB 3.35Å; P462-W465 PolarHBondContact O-N 2.98Å; W465-M467 PolarHBondContact O-N 3.04Å; W465-I653 HydrophobicContact CD2-CD1 3.95Å; W465-I653 HydrophobicContact CE3-CD1 3.42Å; W465-I653 VanDerWaalsContact CE3-CD1 3.42Å; W465-I653 HydrophobicContact CH2-CD1 3.82Å; W465-I653 HydrophobicContact CZ2-CD1 4.29Å; W465-I653 HydrophobicContact CZ3-CD1 3.36Å
466	G	92.5	Very high	93	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	-18.8	179.8	0	0	0	0	0	116.2	Q464 A486 T489 R583	Q464-G466 PolarHBondContact O-N 3.17Å; G466-A486 VanDerWaalsContact O-CB 3.26Å; G466-A486 WeakPolarHBondContact O-CB 3.36Å; G466-T489 PolarHBondContact O-OG1 2.87Å; G466-R583 PolarHBondContact O-NH1 3.31Å
467	M	94.7	Very high	93.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-46.1	-175.1	-60.6	-60.4	177.9	0	0	112.6	Q464 W465 A486 T489 L581 R583 V624 E627	Q464-M467 PolarHBondContact O-N 3.02Å; Q464-M467 VanDerWaalsContact O-N 3.11Å; W465-M467 PolarHBondContact O-N 3.04Å; M467-A486 WeakPolarHBondContact O-CB 3.34Å; M467-A486 PolarHBondContact O-N 3.18Å; M467-T489 WeakPolarHBondContact CA-OG1 3.49Å; M467-T489 HydrophobicContact CB-CG2 4.49Å; M467-T489 WeakPolarHBondContact O-CG2 3.39Å; M467-T489 PolarHBondContact O-OG1 3.41Å; M467-T489 HydrophobicContact SD-CG2 4.16Å; M467-L581 HydrophobicContact CB-CB 4.37Å; M467-L581 HydrophobicContact CB-CD1 3.89Å; M467-L581 HydrophobicContact CG-CB 4.22Å; M467-L581 HydrophobicContact SD-CB 3.81Å; M467-R583 HydrophobicContact CE-CB 3.64Å; M467-R583 HydrophobicContact SD-CB 3.85Å; M467-V624 HydrophobicContact CE-CG2 3.97Å; M467-V624 HydrophobicContact CG-CG2 3.89Å; M467-E627 WeakPolarHBondContact CE-OE1 3.45Å
468	L	95.6	Very high	93.3	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-120.5	150.9	178.9	-58.6	-172.5	0	0	0	111.7	Y350 I444 Q464 P470 K483 L485 L581	Y350-L468 HydrophobicContact CD1-CD1 4.34Å; Y350-L468 HydrophobicContact CE1-CD1 3.35Å; Y350-L468 HydrophobicContact CE1-CG 4.1Å; Y350-L468 HydrophobicContact CE2-CD1 4.25Å; Y350-L468 WeakPolarHBondContact OH-CD1 3.41Å; I444-L468 HydrophobicContact CD1-CD1 4.49Å; I444-L468 HydrophobicContact CD1-CD2 3.38Å; Q464-L468 HydrophobicContact CB-CB 4.22Å; Q464-L468 HydrophobicContact CG-CD1 4.15Å; Q464-L468 PolarHBondContact O-N 2.98Å; L468-P470 WeakPolarHBondContact O-CD 3.32Å; L468-K483 HydrophobicContact CD1-CB 4.21Å; L468-K483 HydrophobicContact CD1-CD 4Å; L468-L485 HydrophobicContact CD2-CD2 3.86Å; L468-L581 HydrophobicContact CD2-CD1 4.14Å; L468-L581 HydrophobicContact CG-CD1 4.42Å
469	C	96.5	Very high	93.4	Very high	7 Å²	7	45.2 Å²	45.2	5%	0.047	26%	0.262	C	S	.	.			trans	-72.4	122.4	176.8	-177.4	0	0	0	0	110.5	A471 D472 S484 G655 A658	C469-A471 VanDerWaalsContact C-N 3.29Å; C469-A471 PolarHBondContact O-N 2.99Å; C469-D472 HydrophobicContact CB-CB 4.12Å; C469-D472 PolarHBondContact SG-N 3.35Å; C469-D472 VanDerWaalsContact SG-N 3.42Å; C469-S484 PolarHBondContact N-O 3.36Å; C469-G655 PolarHBondContact SG-N 2.78Å; C469-A658 VanDerWaalsContact SG-CB 3.54Å
470	P	95.7	Very high	93.3	Very high	52 Å²	52	43.1 Å²	43.1	34%	0.338	25%	0.245	S	C	.	.	S	Bend	trans	-71.5	-22.8	-179.7	27.8	-35.2	0	0	0	113.4	L460 L468 I653 L654	L460-P470 HydrophobicContact CD1-CB 4.25Å; L460-P470 HydrophobicContact CD2-CB 3.7Å; L468-P470 WeakPolarHBondContact O-CD 3.32Å; P470-I653 WeakPolarHBondContact CD-O 3.18Å; P470-I653 HydrophobicContact CG-CD1 4.5Å; P470-I653 HydrophobicContact CG-CG1 4.37Å; P470-L654 HydrophobicContact CG-CD2 4.12Å
471	A	95.1	Very high	93.2	Very high	10 Å²	10	38.3 Å²	38.3	8%	0.083	22%	0.22	C	C	.	.	S	Bend	trans	-98.4	-28.9	-174.2	0	0	0	0	0	114	C469 T473 A658 N672 T673	C469-A471 VanDerWaalsContact C-N 3.29Å; C469-A471 PolarHBondContact O-N 2.99Å; A471-T473 PolarHBondContact O-N 3.5Å; A471-A658 HydrophobicContact CB-CB 4.14Å; A471-N672 HydrophobicContact CB-CB 4.14Å; A471-T673 VanDerWaalsContact O-CA 3.3Å; A471-T673 WeakPolarHBondContact O-CA 3.45Å; A471-T673 WeakPolarHBondContact O-CB 3.36Å; A471-T673 PolarHBondContact O-OG1 2.89Å
472	D	95.8	Very high	93.2	Very high	3 Å²	3	37 Å²	37	2%	0.016	21%	0.214	C	C	.	.			trans	-86.3	76.3	-171.6	-170.6	21.8	0	0	0	112.7	C469 S484 C676 K680	C469-D472 HydrophobicContact CB-CB 4.12Å; C469-D472 PolarHBondContact SG-N 3.35Å; C469-D472 VanDerWaalsContact SG-N 3.42Å; D472-S484 VanDerWaalsContact CG-OG 3.31Å; D472-S484 VanDerWaalsContact OD2-CB 3.31Å; D472-S484 WeakPolarHBondContact OD2-CB 3.48Å; D472-S484 PolarHBondContact OD2-OG 2.82Å; D472-C676 HydrophobicContact CB-CB 4.27Å; D472-C676 WeakPolarHBondContact OD1-CB 3.49Å; D472-K680 IonicContact OD1-NZ 3.52Å; D472-K680 PolarHBondContact OD1-NZ 3.26Å; D472-K680 IonicContact OD2-NZ 3.45Å; D472-K680 PolarHBondContact OD2-NZ 3.44Å
473	T	94.4	Very high	93.2	Very high	23 Å²	23	32.3 Å²	32.3	14%	0.141	18%	0.182	C	C	.	.			trans	-127.7	140.3	169	-166.1	0	0	0	0	109.9	A471 G480 I482 T673	A471-T473 PolarHBondContact O-N 3.5Å; T473-G480 PolarHBondContact OG1-N 2.85Å; T473-I482 PolarHBondContact OG1-O 2.88Å; T473-T673 HydrophobicContact CG2-CG2 3.82Å; T473-T673 WeakPolarHBondContact O-CG2 3.49Å
474	P	92.1	Very high	93.2	Very high	36 Å²	36	31.5 Å²	31.5	23%	0.234	18%	0.176	C	C	.	.			trans	-68.1	138.4	174.6	27.5	-33.5	0	0	0	111.2	P478 C479 I482	P474-P478 HydrophobicContact CB-CG 4.01Å; P474-P478 HydrophobicContact CG-CB 3.94Å; P474-P478 HydrophobicContact CG-CG 3.68Å; P474-C479 VanDerWaalsContact O-CA 3.3Å; P474-C479 WeakPolarHBondContact O-CA 3.38Å; P474-I482 WeakPolarHBondContact CD-O 3.25Å; P474-I482 HydrophobicContact CG-CB 3.75Å; P474-I482 HydrophobicContact CG-CD1 4.25Å; P474-I482 HydrophobicContact CG-CG1 4.46Å; P474-I482 HydrophobicContact CG-CG2 4.06Å
475	E	89.1	Confident	93.3	Very high	120 Å²	120	31.3 Å²	31.3	56%	0.561	18%	0.176	S	C	*	.	S	Bend	trans	-69.8	145.5	169.2	-175.4	178.3	-155.7	0	0	110.9	Y674	E475-Y674 HydrophobicContact CG-CE1 4.27Å; E475-Y674 VanDerWaalsContact OE1-CE1 3.29Å; E475-Y674 WeakPolarHBondContact OE1-CE1 3.26Å; E475-Y674 PolarHBondContact OE1-OH 3.15Å; E475-Y674 VanDerWaalsContact OE2-CE1 3.26Å; E475-Y674 WeakPolarHBondContact OE2-CE1 3.49Å
476	G	89.2	Confident	93.3	Very high	48 Å²	48	25.5 Å²	25.5	50%	0.495	16%	0.155	S	C	.	.	S	Bend	trans	107.6	-154.1	177.4	0	0	0	0	0	113.3	P478 C479	G476-P478 VanDerWaalsContact C-N 3.34Å; G476-C479 WeakPolarHBondContact O-CB 3.5Å; G476-C479 PolarHBondContact O-N 3.11Å
477	E	88.5	Confident	93.3	Very high	105 Å²	105	25.6 Å²	25.6	49%	0.491	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-37.3	-179.5	-162.1	-164.4	164.3	0	0	115.2	R450 C451 R458 C479	R450-E477 HydrophobicContact CB-CG 3.95Å; R450-E477 WeakPolarHBondContact CB-OE1 3.11Å; C451-E477 PolarHBondContact N-OE1 3.27Å; R458-E477 PolarHBondContact NH1-O 3.14Å; E477-C479 VanDerWaalsContact C-N 3.3Å; E477-C479 PolarHBondContact O-N 3.39Å
478	P	90.7	Very high	93.2	Very high	26 Å²	26	25.6 Å²	25.6	17%	0.169	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	3.9	179	31.8	-34.7	0	0	0	115.2	P474 G476 G480 L481 I482	P474-P478 HydrophobicContact CB-CG 4.01Å; P474-P478 HydrophobicContact CG-CB 3.94Å; P474-P478 HydrophobicContact CG-CG 3.68Å; G476-P478 VanDerWaalsContact C-N 3.34Å; P478-G480 PolarHBondContact O-N 2.73Å; P478-L481 PolarHBondContact O-N 3.03Å; P478-I482 HydrophobicContact CB-CD1 3.66Å; P478-I482 HydrophobicContact CB-CG1 3.94Å; P478-I482 HydrophobicContact CG-CD1 4.45Å; P478-I482 PolarHBondContact O-N 2.95Å; P478-I482 VanDerWaalsContact O-N 3.12Å
479	C	92.7	Very high	93.1	Very high	53 Å²	53	26 Å²	26	36%	0.358	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	129	-178.4	-175	0	0	0	0	111.6	R458 P474 G476 E477 L481	R458-C479 PolarHBondContact NH1-O 3.38Å; P474-C479 VanDerWaalsContact O-CA 3.3Å; P474-C479 WeakPolarHBondContact O-CA 3.38Å; G476-C479 WeakPolarHBondContact O-CB 3.5Å; G476-C479 PolarHBondContact O-N 3.11Å; E477-C479 VanDerWaalsContact C-N 3.3Å; E477-C479 PolarHBondContact O-N 3.39Å; C479-L481 PolarHBondContact O-N 3.07Å; C479-L481 VanDerWaalsContact O-N 3.11Å
480	G	91.3	Very high	93	Very high	7 Å²	7	26.1 Å²	26.1	7%	0.072	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	-19.6	-177.7	0	0	0	0	0	115.7	R458 T473 P478 K483	R458-G480 WeakPolarHBondContact O-CA 3.27Å; T473-G480 PolarHBondContact OG1-N 2.85Å; P478-G480 PolarHBondContact O-N 2.73Å; G480-K483 WeakPolarHBondContact O-CD 3.34Å; G480-K483 WeakPolarHBondContact O-CE 3.12Å
481	L	91.6	Very high	92.9	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.021	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-32.8	176.5	-61.4	-177.3	0	0	0	112.5	S446 L448 R450 R458 P478 C479	S446-L481 VanDerWaalsContact CB-O 3.32Å; S446-L481 WeakPolarHBondContact CB-O 3.29Å; S446-L481 PolarHBondContact N-O 3.48Å; L448-L481 HydrophobicContact CB-CD2 4Å; L448-L481 HydrophobicContact CD1-CD2 4.14Å; R450-L481 HydrophobicContact CB-CD1 4.4Å; R450-L481 HydrophobicContact CG-CD1 4.15Å; R458-L481 HydrophobicContact CG-CD2 4.05Å; R458-L481 HydrophobicContact CG-CG 4.27Å; P478-L481 PolarHBondContact O-N 3.03Å; C479-L481 PolarHBondContact O-N 3.07Å; C479-L481 VanDerWaalsContact O-N 3.11Å
482	I	93.5	Very high	92.8	Very high	15 Å²	15	23.4 Å²	23.4	8%	0.077	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	121.3	171	-62.4	-177.8	0	0	0	108	R443 I444 T473 P474 P478	R443-I482 VanDerWaalsContact CD-CG2 3.49Å; R443-I482 HydrophobicContact CG-CG2 3.5Å; I444-I482 WeakPolarHBondContact O-CA 3.4Å; T473-I482 PolarHBondContact OG1-O 2.88Å; P474-I482 WeakPolarHBondContact CD-O 3.25Å; P474-I482 HydrophobicContact CG-CB 3.75Å; P474-I482 HydrophobicContact CG-CD1 4.25Å; P474-I482 HydrophobicContact CG-CG1 4.46Å; P474-I482 HydrophobicContact CG-CG2 4.06Å; P478-I482 HydrophobicContact CB-CD1 3.66Å; P478-I482 HydrophobicContact CB-CG1 3.94Å; P478-I482 HydrophobicContact CG-CD1 4.45Å; P478-I482 PolarHBondContact O-N 2.95Å; P478-I482 VanDerWaalsContact O-N 3.12Å
483	K	94.2	Very high	92.4	Very high	13 Å²	13	25 Å²	25	6%	0.057	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	166.2	-176.5	-69.2	168.3	-75.5	-163.1	0	109.6	E185 Y350 R443 I444 L468 G480	E185-K483 IonicContact OE1-NZ 2.63Å; E185-K483 PolarHBondContact OE1-NZ 3.38Å; E185-K483 WeakPolarHBondContact OE2-CE 3.48Å; E185-K483 IonicContact OE2-NZ 2.83Å; E185-K483 PolarHBondContact OE2-NZ 3.42Å; Y350-K483 WeakPolarHBondContact OH-CD 3.49Å; Y350-K483 WeakPolarHBondContact OH-CE 3.42Å; Y350-K483 PolarHBondContact OH-NZ 2.96Å; R443-K483 WeakPolarHBondContact CA-O 3.34Å; I444-K483 PolarHBondContact N-O 2.96Å; I444-K483 PolarHBondContact O-N 3.42Å; L468-K483 HydrophobicContact CD1-CB 4.21Å; L468-K483 HydrophobicContact CD1-CD 4Å; G480-K483 WeakPolarHBondContact O-CD 3.34Å; G480-K483 WeakPolarHBondContact O-CE 3.12Å
484	S	95.5	Very high	91.8	Very high	2 Å²	2	28 Å²	28	1%	0.014	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	146.7	175.2	-62.3	0	0	0	0	110.3	T442 C469 D472	T442-S484 WeakPolarHBondContact O-CA 3.16Å; C469-S484 PolarHBondContact N-O 3.36Å; D472-S484 VanDerWaalsContact CG-OG 3.31Å; D472-S484 VanDerWaalsContact OD2-CB 3.31Å; D472-S484 WeakPolarHBondContact OD2-CB 3.48Å; D472-S484 PolarHBondContact OD2-OG 2.82Å
485	L	95.4	Very high	91.3	Very high	6 Å²	6	27.6 Å²	27.6	3%	0.031	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-65.3	149.3	174.5	-66.6	160.5	0	0	0	111.6	I183 L355 T442 I444 L468 T489 I491 L581 G655	I183-L485 HydrophobicContact CD1-CD1 3.95Å; L355-L485 HydrophobicContact CD1-CD2 4.46Å; T442-L485 PolarHBondContact O-N 2.84Å; T442-L485 VanDerWaalsContact O-N 3.07Å; I444-L485 HydrophobicContact CD1-CD2 3.78Å; I444-L485 HydrophobicContact CD1-CG 4.01Å; I444-L485 HydrophobicContact CG1-CG 4.33Å; L468-L485 HydrophobicContact CD2-CD2 3.86Å; L485-T489 HydrophobicContact CD2-CG2 3.88Å; L485-I491 HydrophobicContact CD1-CD1 4.04Å; L485-I491 HydrophobicContact CD2-CD1 4.21Å; L485-L581 HydrophobicContact CD2-CD2 3.91Å; L485-G655 WeakPolarHBondContact O-CA 3.18Å
486	A	95.1	Very high	90.9	Very high	4 Å²	4	29.4 Å²	29.4	3%	0.033	17%	0.17	C	C	.	.			trans	-74.7	173	166.8	0	0	0	0	0	110.7	G466 M467 T652	G466-A486 VanDerWaalsContact O-CB 3.26Å; G466-A486 WeakPolarHBondContact O-CB 3.36Å; M467-A486 WeakPolarHBondContact O-CB 3.34Å; M467-A486 PolarHBondContact O-N 3.18Å; A486-T652 WeakPolarHBondContact CB-O 3.03Å
487	L	92.6	Very high	90.5	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-36.3	-168	-164.7	76	0	0	0	113.7	V37 L41 L46 F651 T652 T713 L716 L717	V37-L487 HydrophobicContact CG1-CD2 3.94Å; L41-L487 HydrophobicContact CD1-CD1 4.45Å; L41-L487 HydrophobicContact CD1-CD2 4.26Å; L41-L487 HydrophobicContact CD1-CG 4.29Å; L41-L487 HydrophobicContact CD2-CG 4.44Å; L46-L487 HydrophobicContact CD1-CD1 4.06Å; L46-L487 HydrophobicContact CD2-CD1 3.8Å; L46-L487 HydrophobicContact CD2-CG 4.33Å; L46-L487 WeakPolarHBondContact CD2-O 3.15Å; L46-L487 HydrophobicContact CG-CD1 4.43Å; L487-F651 HydrophobicContact CD2-CE2 4.34Å; L487-T652 HydrophobicContact CD2-CG2 4.27Å; L487-T652 PolarHBondContact N-O 3.33Å; L487-T652 VanDerWaalsContact N-O 3.1Å; L487-T713 HydrophobicContact CD1-CG2 4.25Å; L487-T713 HydrophobicContact CD2-CG2 4.48Å; L487-L716 HydrophobicContact CD2-CD1 3.83Å; L487-L717 HydrophobicContact CD1-CD1 4.45Å; L487-L717 HydrophobicContact CD1-CD2 4.34Å
488	M	93.5	Very high	90.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	17.3	-175.9	-71.3	-166	78.5	0	0	113.9	V37 F40 P584 I648 T652	V37-M488 HydrophobicContact CB-SD 4.47Å; V37-M488 HydrophobicContact CG1-CG 4.25Å; V37-M488 HydrophobicContact CG1-SD 4.31Å; V37-M488 HydrophobicContact CG2-SD 3.84Å; F40-M488 HydrophobicContact CB-CE 3.95Å; F40-M488 HydrophobicContact CD1-CB 4.44Å; F40-M488 HydrophobicContact CD1-CE 4.13Å; F40-M488 HydrophobicContact CD1-CG 4.16Å; F40-M488 HydrophobicContact CD2-CE 4.37Å; F40-M488 HydrophobicContact CE1-CB 4.26Å; F40-M488 HydrophobicContact CE1-CG 4.44Å; F40-M488 HydrophobicContact CG-CE 3.87Å; M488-P584 HydrophobicContact CE-CG 3.54Å; M488-P584 WeakPolarHBondContact O-CD 3.4Å; M488-I648 HydrophobicContact CE-CD1 3.78Å; M488-I648 HydrophobicContact CE-CG2 4.5Å; M488-I648 HydrophobicContact SD-CB 4.46Å; M488-I648 HydrophobicContact SD-CG2 4.31Å; M488-T652 HydrophobicContact CG-CG2 3.87Å; M488-T652 HydrophobicContact SD-CG2 3.87Å
489	T	93.9	Very high	90.2	Very high	11 Å²	11	33.5 Å²	33.5	7%	0.067	18%	0.182	C	C	.	.			trans	-81.6	132.6	179.7	-48.2	0	0	0	0	110.6	G466 M467 L485 L581	G466-T489 PolarHBondContact O-OG1 2.87Å; M467-T489 WeakPolarHBondContact CA-OG1 3.49Å; M467-T489 HydrophobicContact CB-CG2 4.49Å; M467-T489 WeakPolarHBondContact O-CG2 3.39Å; M467-T489 PolarHBondContact O-OG1 3.41Å; M467-T489 HydrophobicContact SD-CG2 4.16Å; L485-T489 HydrophobicContact CD2-CG2 3.88Å; T489-L581 HydrophobicContact CG2-CB 4.29Å; T489-L581 HydrophobicContact CG2-CD2 3.71Å; T489-L581 HydrophobicContact CG2-CG 4.46Å
490	H	93.6	Very high	90.1	Very high	9 Å²	9	31.4 Å²	31.4	4%	0.042	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	145.8	171.8	-176.5	-100.4	0	0	0	110.2	F40 E52 F560 C582 Y621	F40-H490 HydrophobicContact CZ-CB 4.5Å; E52-H490 IonicContact OE2-NE2 3.7Å; H490-F560 AromaticContact CE1-CE1 3.72Å; H490-F560 AromaticContact CE1-CE2 3.39Å; H490-F560 WeakPolarHBondContact CE1-CE2 3.37Å; H490-F560 AromaticContact CE1-CZ 3.11Å; H490-F560 WeakPolarHBondContact CE1-CZ 3.36Å; H490-F560 AromaticContact ND1-CE1 3.37Å; H490-F560 WeakPolarHBondContact ND1-CE1 3.41Å; H490-F560 AromaticContact ND1-CE2 3.9Å; H490-F560 AromaticContact ND1-CZ 3.3Å; H490-F560 VanDerWaalsContact ND1-CZ 3.3Å; H490-F560 WeakPolarHBondContact ND1-CZ 3.5Å; H490-F560 AromaticContact NE2-CZ 3.87Å; H490-C582 PolarHBondContact N-O 3.31Å; H490-C582 PolarHBondContact O-N 2.72Å; H490-Y621 HydrophobicContact CB-CE1 4.48Å
491	I	94.2	Very high	89.9	Confident	2 Å²	2	33 Å²	33	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	123.7	175.7	-54.7	-179	0	0	0	108.3	I183 L355 L357 L485 R580 L581	I183-I491 HydrophobicContact CD1-CD1 3.98Å; L355-I491 HydrophobicContact CB-CG2 4.43Å; L355-I491 HydrophobicContact CD1-CD1 3.7Å; L355-I491 HydrophobicContact CD1-CG1 4.38Å; L357-I491 HydrophobicContact CD1-CB 4.16Å; L357-I491 HydrophobicContact CD1-CG2 3.74Å; L357-I491 HydrophobicContact CD2-CD1 3.74Å; L357-I491 HydrophobicContact CD2-CG2 4.25Å; L357-I491 HydrophobicContact CG-CG2 4.1Å; L485-I491 HydrophobicContact CD1-CD1 4.04Å; L485-I491 HydrophobicContact CD2-CD1 4.21Å; I491-R580 WeakPolarHBondContact CA-O 3.39Å; I491-L581 HydrophobicContact CD1-CD2 4.3Å; I491-L581 HydrophobicContact CG1-CD2 3.82Å
492	T	92.7	Very high	89.9	Confident	2 Å²	2	38 Å²	38	1%	0.012	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-69.8	146.3	-177.2	62.7	0	0	0	0	112.1	F560 D577 G578 G579 R580 C582	T492-F560 HydrophobicContact CG2-CB 3.8Å; T492-F560 HydrophobicContact CG2-CD1 4.3Å; T492-F560 HydrophobicContact CG2-CD2 4.41Å; T492-F560 HydrophobicContact CG2-CG 3.93Å; T492-D577 PolarHBondContact OG1-O 2.79Å; T492-D577 VanDerWaalsContact OG1-O 3.13Å; T492-G578 WeakPolarHBondContact O-CA 3.3Å; T492-G578 WeakPolarHBondContact OG1-CA 3.42Å; T492-G579 PolarHBondContact O-N 2.62Å; T492-G579 PolarHBondContact OG1-N 2.89Å; T492-R580 HydrophobicContact CG2-CB 4.2Å; T492-R580 PolarHBondContact N-O 3.43Å; T492-R580 PolarHBondContact OG1-N 2.99Å; T492-C582 WeakPolarHBondContact CG2-SG 3.41Å
493	T	86.2	Confident	89.9	Confident	38 Å²	38	39.2 Å²	39.2	23%	0.233	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-96.3	163.7	161.4	53.2	0	0	0	0	109.6
494	D	82.6	Confident	89.8	Confident	84 Å²	84	38.6 Å²	38.6	45%	0.449	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-62	138.1	177.3	-69.3	-42.5	0	0	0	110.9	G578	D494-G578 WeakPolarHBondContact OD1-CA 3.32Å; D494-G578 PolarHBondContact OD1-N 2.84Å
495	S	81.5	Confident	89.7	Confident	29 Å²	29	42.1 Å²	42.1	20%	0.203	22%	0.218	C	C	.	.			trans	-121.4	149.2	175.4	-58.7	0	0	0	0	110.5	A497 S576	S495-A497 PolarHBondContact O-N 2.61Å; S495-S576 PolarHBondContact N-O 2.81Å
496	E	80	Confident	89.6	Confident	157 Å²	157	48.7 Å²	48.7	73%	0.734	25%	0.253	S	S	*	.			trans	-61.9	118.2	-178.4	-65.3	-178.7	174.8	0	0	111.8
497	A	82.2	Confident	89.4	Confident	26 Å²	26	50.5 Å²	50.5	22%	0.215	26%	0.262	C	S	.	.	S	Bend	trans	-84.6	-17.1	-178.8	0	0	0	0	0	113.5	S495 L500 M501 V530	S495-A497 PolarHBondContact O-N 2.61Å; A497-L500 WeakPolarHBondContact O-CB 3.25Å; A497-L500 PolarHBondContact O-N 3.32Å; A497-M501 WeakPolarHBondContact O-CG 3.41Å; A497-M501 PolarHBondContact O-N 3.08Å; A497-M501 VanDerWaalsContact O-N 3.07Å; A497-V530 HydrophobicContact CB-CG1 4.34Å
498	E	85.4	Confident	89.4	Confident	147 Å²	147	51.8 Å²	51.8	69%	0.687	28%	0.276	S	S	*	.	H	α-helix	trans	-64.5	-47.6	-173.9	-65.1	-177.1	-178.9	0	0	112.2	L500 M501 L502	E498-L500 PolarHBondContact O-N 3.02Å; E498-M501 HydrophobicContact CB-CE 4.47Å; E498-M501 HydrophobicContact CG-CE 4.24Å; E498-M501 PolarHBondContact O-N 3.32Å; E498-L502 PolarHBondContact O-N 3.33Å
499	N	87.5	Confident	89.3	Confident	92 Å²	92	52 Å²	52	49%	0.492	28%	0.277	S	S	.	.	H	α-helix	trans	-61.9	-35.8	177	-63.1	-28.8	0	0	0	111.8	L502 I503	N499-L502 PolarHBondContact O-N 3.11Å; N499-I503 WeakPolarHBondContact O-CG1 3.45Å; N499-I503 PolarHBondContact O-N 3.3Å
500	L	89.1	Confident	89.3	Confident	9 Å²	9	56 Å²	56	5%	0.047	30%	0.295	C	S	.	.	H	α-helix	trans	-66.7	-39.7	177.9	-175	64	0	0	0	111.8	A497 E498 I503 L504 V530 V557 V561 I574	A497-L500 WeakPolarHBondContact O-CB 3.25Å; A497-L500 PolarHBondContact O-N 3.32Å; E498-L500 PolarHBondContact O-N 3.02Å; L500-I503 PolarHBondContact O-N 2.77Å; L500-L504 HydrophobicContact CG-CD1 4.5Å; L500-L504 VanDerWaalsContact O-CG 3.31Å; L500-L504 WeakPolarHBondContact O-CG 3.39Å; L500-L504 PolarHBondContact O-N 2.87Å; L500-L504 VanDerWaalsContact O-N 3.12Å; L500-V530 HydrophobicContact CD2-CG1 4.22Å; L500-V557 HydrophobicContact CD1-CG1 4.1Å; L500-V557 HydrophobicContact CD1-CG2 4.48Å; L500-V561 HydrophobicContact CD1-CG1 4.24Å; L500-V561 HydrophobicContact CD2-CG1 3.96Å; L500-V561 HydrophobicContact CD2-CG2 4.48Å; L500-I574 HydrophobicContact CD2-CG2 3.6Å; L500-I574 HydrophobicContact CG-CG2 4.41Å
501	M	88.9	Confident	89.1	Confident	41 Å²	41	57.6 Å²	57.6	20%	0.202	30%	0.304	C	S	.	.	H	α-helix	trans	-63.3	-41.6	176.5	-69.5	-174.6	-67.7	0	0	111.8	A497 E498 L504 F505 V535	A497-M501 WeakPolarHBondContact O-CG 3.41Å; A497-M501 PolarHBondContact O-N 3.08Å; A497-M501 VanDerWaalsContact O-N 3.07Å; E498-M501 HydrophobicContact CB-CE 4.47Å; E498-M501 HydrophobicContact CG-CE 4.24Å; E498-M501 PolarHBondContact O-N 3.32Å; M501-L504 PolarHBondContact O-N 3.49Å; M501-F505 WeakPolarHBondContact O-CD2 3.46Å; M501-F505 PolarHBondContact O-N 2.91Å; M501-V535 HydrophobicContact CG-CG2 4.22Å; M501-V535 HydrophobicContact SD-CG2 4.33Å
502	L	91.2	Very high	88.8	Confident	108 Å²	108	57.5 Å²	57.5	57%	0.565	30%	0.303	S	S	*	.	H	α-helix	trans	-60.4	-46.7	176.8	-67.3	173.6	0	0	0	111.8	E498 N499 L504 F505 D506	E498-L502 PolarHBondContact O-N 3.33Å; N499-L502 PolarHBondContact O-N 3.11Å; L502-L504 VanDerWaalsContact C-N 3.26Å; L502-L504 PolarHBondContact O-N 2.71Å; L502-F505 PolarHBondContact O-N 3Å; L502-D506 PolarHBondContact O-N 3.47Å; L502-D506 VanDerWaalsContact O-N 3.15Å
503	I	91.9	Very high	88.5	Confident	42 Å²	42	60.1 Å²	60.1	22%	0.215	32%	0.317	C	S	.	.	H	α-helix	trans	-58.7	-39.2	177.3	-66.9	166.3	0	0	0	111.2	N499 L500 D506 L507 L551 V557	N499-I503 WeakPolarHBondContact O-CG1 3.45Å; N499-I503 PolarHBondContact O-N 3.3Å; L500-I503 PolarHBondContact O-N 2.77Å; I503-D506 PolarHBondContact O-N 2.59Å; I503-L507 HydrophobicContact CG2-CD1 4.03Å; I503-L507 HydrophobicContact CG2-CG 4.35Å; I503-L507 WeakPolarHBondContact O-CG 3.47Å; I503-L507 PolarHBondContact O-N 3.05Å; I503-L551 HydrophobicContact CG2-CD1 3.66Å; I503-V557 HydrophobicContact CD1-CG2 4.08Å
504	L	93.2	Very high	88.6	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-65.3	-39.7	179.6	-70.5	168.9	0	0	0	112.6	L500 M501 L502 D506 L507 G508 V509 V528 V530 I544 V548 I574	L500-L504 HydrophobicContact CG-CD1 4.5Å; L500-L504 VanDerWaalsContact O-CG 3.31Å; L500-L504 WeakPolarHBondContact O-CG 3.39Å; L500-L504 PolarHBondContact O-N 2.87Å; L500-L504 VanDerWaalsContact O-N 3.12Å; M501-L504 PolarHBondContact O-N 3.49Å; L502-L504 VanDerWaalsContact C-N 3.26Å; L502-L504 PolarHBondContact O-N 2.71Å; L504-D506 VanDerWaalsContact C-N 3.33Å; L504-L507 PolarHBondContact O-N 3.23Å; L504-G508 PolarHBondContact O-N 3.49Å; L504-V509 HydrophobicContact CB-CB 4.33Å; L504-V509 HydrophobicContact CB-CG2 4.09Å; L504-V509 HydrophobicContact CD2-CG2 4.35Å; L504-V509 VanDerWaalsContact O-CB 3.23Å; L504-V509 WeakPolarHBondContact O-CB 3.31Å; L504-V509 WeakPolarHBondContact O-CG2 3.49Å; L504-V509 PolarHBondContact O-N 3.15Å; L504-V528 HydrophobicContact CD1-CG1 4.34Å; L504-V530 HydrophobicContact CD1-CG2 3.51Å; L504-I544 HydrophobicContact CD2-CG2 4.36Å; L504-V548 HydrophobicContact CD2-CG2 3.98Å; L504-I574 HydrophobicContact CD1-CD1 3.65Å; L504-I574 HydrophobicContact CD2-CD1 3.49Å; L504-I574 VanDerWaalsContact CD2-CD1 3.49Å; L504-I574 HydrophobicContact CG-CD1 4.19Å
505	F	93.1	Very high	88.8	Confident	75 Å²	75	60.4 Å²	60.4	33%	0.329	32%	0.32	S	S	.	.	H	α-helix	trans	-63.4	-40.8	174.4	-69.3	-61.8	0	0	0	111.3	M501 L502 L507 G508 V509 D511 V535	M501-F505 WeakPolarHBondContact O-CD2 3.46Å; M501-F505 PolarHBondContact O-N 2.91Å; L502-F505 PolarHBondContact O-N 3Å; F505-L507 VanDerWaalsContact C-N 3.33Å; F505-L507 PolarHBondContact O-N 2.74Å; F505-G508 PolarHBondContact O-N 2.95Å; F505-G508 VanDerWaalsContact O-N 3.08Å; F505-V509 VanDerWaalsContact CD1-O 3.27Å; F505-V509 WeakPolarHBondContact CD1-O 3.42Å; F505-D511 HydrophobicContact CE1-CB 4.07Å; F505-V535 HydrophobicContact CE1-CG1 4.15Å; F505-V535 HydrophobicContact CE2-CG1 4.09Å; F505-V535 HydrophobicContact CZ-CG1 3.64Å
506	D	92.5	Very high	89	Confident	145 Å²	145	63.8 Å²	63.8	78%	0.775	34%	0.336	S	S	*	.	H	α-helix	trans	-66	-32.5	177	-69.4	-21	0	0	0	112.9	L502 I503 L504 G508	L502-D506 PolarHBondContact O-N 3.47Å; L502-D506 VanDerWaalsContact O-N 3.15Å; I503-D506 PolarHBondContact O-N 2.59Å; L504-D506 VanDerWaalsContact C-N 3.33Å; D506-G508 PolarHBondContact O-N 3.27Å
507	L	92.5	Very high	89.2	Confident	42 Å²	42	56.3 Å²	56.3	22%	0.22	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-4.3	173.9	-70.2	174.3	0	0	0	113.5	I503 L504 F505 I544 E547 V548 L551	I503-L507 HydrophobicContact CG2-CD1 4.03Å; I503-L507 HydrophobicContact CG2-CG 4.35Å; I503-L507 WeakPolarHBondContact O-CG 3.47Å; I503-L507 PolarHBondContact O-N 3.05Å; L504-L507 PolarHBondContact O-N 3.23Å; F505-L507 VanDerWaalsContact C-N 3.33Å; F505-L507 PolarHBondContact O-N 2.74Å; L507-I544 HydrophobicContact CB-CD1 3.81Å; L507-I544 WeakPolarHBondContact O-CD1 3.37Å; L507-E547 HydrophobicContact CD1-CB 4.29Å; L507-E547 HydrophobicContact CD2-CB 3.99Å; L507-E547 HydrophobicContact CD2-CG 4.38Å; L507-V548 HydrophobicContact CD1-CG2 3.86Å; L507-L551 HydrophobicContact CD1-CD1 4.05Å; L507-L551 HydrophobicContact CD2-CD1 4.42Å
508	G	91.2	Very high	89.4	Confident	29 Å²	29	57.4 Å²	57.4	30%	0.299	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.9	23.2	177.5	0	0	0	0	0	114.6	L504 F505 D506	L504-G508 PolarHBondContact O-N 3.49Å; F505-G508 PolarHBondContact O-N 2.95Å; F505-G508 VanDerWaalsContact O-N 3.08Å; D506-G508 PolarHBondContact O-N 3.27Å
509	V	93.1	Very high	89.4	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.024	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-73.6	123.2	163.1	178.9	0	0	0	0	108	L504 F505 V528 I544	L504-V509 HydrophobicContact CB-CB 4.33Å; L504-V509 HydrophobicContact CB-CG2 4.09Å; L504-V509 HydrophobicContact CD2-CG2 4.35Å; L504-V509 VanDerWaalsContact O-CB 3.23Å; L504-V509 WeakPolarHBondContact O-CB 3.31Å; L504-V509 WeakPolarHBondContact O-CG2 3.49Å; L504-V509 PolarHBondContact O-N 3.15Å; F505-V509 VanDerWaalsContact CD1-O 3.27Å; F505-V509 WeakPolarHBondContact CD1-O 3.42Å; V509-V528 HydrophobicContact CG1-CB 4.13Å; V509-V528 HydrophobicContact CG1-CG2 4.02Å; V509-V528 HydrophobicContact CG2-CG2 4.08Å; V509-I544 HydrophobicContact CG2-CD1 4.1Å; V509-I544 HydrophobicContact CG2-CG1 4.47Å
510	E	92.3	Very high	89.3	Confident	96 Å²	96	48.5 Å²	48.5	45%	0.449	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	139.6	180	-65.4	-178.9	-163.3	0	0	110.3	V512 F515 G536 V537	E510-V512 PolarHBondContact O-N 3.2Å; E510-F515 HydrophobicContact CB-CE2 3.69Å; E510-F515 HydrophobicContact CB-CZ 4.05Å; E510-F515 WeakPolarHBondContact OE2-CZ 3.04Å; E510-G536 CarbonylContact O-C 3.52Å; E510-G536 WeakPolarHBondContact O-CA 3.36Å; E510-V537 PolarHBondContact N-O 3.45Å; E510-V537 PolarHBondContact O-N 3.07Å
511	D	90.7	Very high	88.8	Confident	41 Å²	41	48.6 Å²	48.6	22%	0.219	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	129.4	179.8	-170.3	-25.3	0	0	0	110.6	R322 F505 I513 V514	R322-D511 IonicContact CZ-OD1 3.58Å; R322-D511 IonicContact CZ-OD2 3.75Å; R322-D511 IonicContact NE-OD1 3.58Å; R322-D511 PolarHBondContact NE-OD1 3.31Å; R322-D511 VanDerWaalsContact NH2-CG 3.33Å; R322-D511 IonicContact NH2-OD1 3.67Å; R322-D511 PolarHBondContact NH2-OD1 3.14Å; R322-D511 IonicContact NH2-OD2 3.4Å; R322-D511 PolarHBondContact NH2-OD2 3.03Å; F505-D511 HydrophobicContact CE1-CB 4.07Å; D511-I513 PolarHBondContact O-N 3.49Å; D511-I513 WeakPolarHBondContact OD1-CG1 3.37Å; D511-I513 PolarHBondContact OD1-N 3.16Å; D511-V514 HydrophobicContact CB-CG2 4.42Å; D511-V514 PolarHBondContact O-N 3.08Å; D511-V514 VanDerWaalsContact O-N 3.08Å
512	V	87.4	Confident	88.2	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-59	-24.4	-177.5	77.3	0	0	0	0	112.6	R322 I325 E510 V514 F515 L520 Y527 I534 V537	R322-V512 HydrophobicContact CG-CG1 3.99Å; I325-V512 HydrophobicContact CD1-CG1 4.16Å; I325-V512 HydrophobicContact CD1-CG2 3.96Å; I325-V512 HydrophobicContact CG2-CG2 4.09Å; E510-V512 PolarHBondContact O-N 3.2Å; V512-V514 PolarHBondContact O-N 2.89Å; V512-F515 PolarHBondContact O-N 3.02Å; V512-L520 HydrophobicContact CG2-CD1 4.41Å; V512-L520 HydrophobicContact CG2-CD2 4.4Å; V512-Y527 HydrophobicContact CG2-CE1 4.41Å; V512-I534 HydrophobicContact CB-CG2 4.06Å; V512-I534 HydrophobicContact CG1-CG2 3.94Å; V512-I534 HydrophobicContact CG2-CG2 4.09Å; V512-V537 HydrophobicContact CG2-CG1 4.21Å
513	I	86.7	Confident	87.3	Confident	58 Å²	58	49.2 Å²	49.2	30%	0.297	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-63.2	-29	179.6	-65.4	170.1	0	0	0	111.8	R322 D511 F515	R322-I513 HydrophobicContact CG-CD1 3.83Å; R322-I513 HydrophobicContact CG-CG1 3.56Å; D511-I513 PolarHBondContact O-N 3.49Å; D511-I513 WeakPolarHBondContact OD1-CG1 3.37Å; D511-I513 PolarHBondContact OD1-N 3.16Å; I513-F515 PolarHBondContact O-N 3.14Å
514	V	87.5	Confident	86.8	Confident	112 Å²	112	49.4 Å²	49.4	68%	0.679	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-70.7	-20.5	-176.9	-175.6	0	0	0	0	111.8	D511 V512	D511-V514 HydrophobicContact CB-CG2 4.42Å; D511-V514 PolarHBondContact O-N 3.08Å; D511-V514 VanDerWaalsContact O-N 3.08Å; V512-V514 PolarHBondContact O-N 2.89Å
515	F	87	Confident	86.6	Confident	15 Å²	15	52.8 Å²	52.8	7%	0.066	29%	0.293	C	S	.	.			trans	-94.6	140.8	-173.4	-66.4	-95.9	0	0	0	113.5	R321 E510 V512 I513 D519 L520 Y525 V537	R321-F515 PolarHBondContact NH2-O 2.7Å; E510-F515 HydrophobicContact CB-CE2 3.69Å; E510-F515 HydrophobicContact CB-CZ 4.05Å; E510-F515 WeakPolarHBondContact OE2-CZ 3.04Å; V512-F515 PolarHBondContact O-N 3.02Å; I513-F515 PolarHBondContact O-N 3.14Å; F515-D519 HydrophobicContact CD1-CB 4.09Å; F515-L520 HydrophobicContact CB-CD1 4.37Å; F515-L520 HydrophobicContact CB-CD2 3.82Å; F515-L520 HydrophobicContact CB-CG 3.87Å; F515-L520 HydrophobicContact CG-CD2 4.2Å; F515-Y525 HydrophobicContact CE1-CD1 4.28Å; F515-Y525 AromaticContact CE1-CE1 3.77Å; F515-Y525 HydrophobicContact CE1-CE1 3.77Å; F515-Y525 HydrophobicContact CE1-CE2 4.1Å; F515-Y525 AromaticContact CE1-CZ 3.67Å; F515-Y525 HydrophobicContact CZ-CD1 4.45Å; F515-Y525 AromaticContact CZ-CE1 4Å; F515-Y525 HydrophobicContact CZ-CE1 4Å; F515-V537 HydrophobicContact CD1-CG2 4.41Å; F515-V537 HydrophobicContact CD2-CG2 3.56Å; F515-V537 HydrophobicContact CE1-CG2 4.11Å; F515-V537 HydrophobicContact CE2-CG2 3.19Å; F515-V537 HydrophobicContact CG-CG2 4.16Å; F515-V537 HydrophobicContact CZ-CG2 3.48Å; F515-V537 VanDerWaalsContact CZ-CG2 3.48Å
516	N	86.3	Confident	86.6	Confident	100 Å²	100	51.6 Å²	51.6	54%	0.535	29%	0.286	S	S	.	.			trans	-82	157.8	167.1	-65.9	-26.8	0	0	0	110.1	N518 D519 L520	N516-N518 PolarHBondContact O-N 3.15Å; N516-N518 VanDerWaalsContact O-N 3.16Å; N516-D519 PolarHBondContact O-N 3.45Å; N516-D519 VanDerWaalsContact O-N 3.09Å; N516-L520 PolarHBondContact O-N 3.44Å
517	G	83.9	Confident	86.6	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-57.2	-35.1	-179	0	0	0	0	0	112.4	E243 D519 L520 S521	E243-G517 WeakPolarHBondContact OE1-CA 3.12Å; E243-G517 PolarHBondContact OE1-N 3.4Å; E243-G517 PolarHBondContact OE2-N 3.2Å; G517-D519 VanDerWaalsContact C-N 3.33Å; G517-D519 PolarHBondContact O-N 2.86Å; G517-L520 PolarHBondContact O-N 3.02Å; G517-S521 WeakPolarHBondContact O-CB 3.41Å; G517-S521 PolarHBondContact O-N 3.5Å
518	N	86.3	Confident	86.7	Confident	50 Å²	50	43 Å²	43	27%	0.267	24%	0.24	S	C	.	.	H	α-helix	trans	-60.3	-42.8	179.1	-171.6	24.3	0	0	0	111.9	Y246 N516 S521 K522	Y246-N518 HydrophobicContact CD1-CB 4.28Å; Y246-N518 HydrophobicContact CD2-CB 3.79Å; Y246-N518 HydrophobicContact CE1-CB 4.34Å; Y246-N518 HydrophobicContact CE2-CB 3.8Å; Y246-N518 HydrophobicContact CG-CB 4.05Å; N516-N518 PolarHBondContact O-N 3.15Å; N516-N518 VanDerWaalsContact O-N 3.16Å; N518-S521 PolarHBondContact O-N 3.09Å; N518-K522 WeakPolarHBondContact ND2-CE 3.49Å; N518-K522 PolarHBondContact ND2-NZ 3.32Å; N518-K522 VanDerWaalsContact O-CG 3.31Å; N518-K522 WeakPolarHBondContact O-CG 3.4Å; N518-K522 PolarHBondContact O-N 3.4Å; N518-K522 VanDerWaalsContact O-N 3.14Å; N518-K522 WeakPolarHBondContact OD1-CE 3.36Å
519	D	85.5	Confident	86.8	Confident	50 Å²	50	41.8 Å²	41.8	27%	0.267	23%	0.227	S	C	.	.	H	α-helix	trans	-72.3	-36.4	-176.9	-58.3	-39.8	0	0	0	111.3	F515 N516 G517 S521 K522	F515-D519 HydrophobicContact CD1-CB 4.09Å; N516-D519 PolarHBondContact O-N 3.45Å; N516-D519 VanDerWaalsContact O-N 3.09Å; G517-D519 VanDerWaalsContact C-N 3.33Å; G517-D519 PolarHBondContact O-N 2.86Å; D519-S521 VanDerWaalsContact C-N 3.31Å; D519-S521 PolarHBondContact O-N 3.08Å; D519-K522 IonicContact OD1-NZ 2.89Å; D519-K522 PolarHBondContact OD1-NZ 2.84Å
520	L	84.8	Confident	86.7	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-64.2	-35.7	171.2	-64.6	177.3	0	0	0	112.4	L247 I325 V512 F515 N516 G517 Y527 V537	L247-L520 HydrophobicContact CD2-CD1 4.32Å; I325-L520 HydrophobicContact CG2-CD1 4.32Å; V512-L520 HydrophobicContact CG2-CD1 4.41Å; V512-L520 HydrophobicContact CG2-CD2 4.4Å; F515-L520 HydrophobicContact CB-CD1 4.37Å; F515-L520 HydrophobicContact CB-CD2 3.82Å; F515-L520 HydrophobicContact CB-CG 3.87Å; F515-L520 HydrophobicContact CG-CD2 4.2Å; N516-L520 PolarHBondContact O-N 3.44Å; G517-L520 PolarHBondContact O-N 3.02Å; L520-Y527 WeakPolarHBondContact CB-OH 3.41Å; L520-Y527 HydrophobicContact CD1-CE1 4.4Å; L520-Y527 HydrophobicContact CD2-CE1 3.96Å; L520-V537 HydrophobicContact CD2-CG1 3.67Å; L520-V537 HydrophobicContact CD2-CG2 4.47Å
521	S	79.4	Confident	86.4	Confident	11 Å²	11	38.7 Å²	38.7	8%	0.077	21%	0.213	C	C	.	.	H	α-helix	trans	-78.1	-24.4	-177.7	-165.5	0	0	0	0	113.7	C250 G517 N518 D519 G523	C250-S521 PolarHBondContact N-OG 2.84Å; C250-S521 PolarHBondContact SG-OG 2.89Å; G517-S521 WeakPolarHBondContact O-CB 3.41Å; G517-S521 PolarHBondContact O-N 3.5Å; N518-S521 PolarHBondContact O-N 3.09Å; D519-S521 VanDerWaalsContact C-N 3.31Å; D519-S521 PolarHBondContact O-N 3.08Å; S521-G523 PolarHBondContact O-N 2.76Å
522	K	75.2	Confident	86.2	Confident	132 Å²	132	37.5 Å²	37.5	57%	0.574	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	0.5	-176.4	-79.9	168.7	-167.5	159.4	0	115.3	N518 D519 G524	N518-K522 WeakPolarHBondContact ND2-CE 3.49Å; N518-K522 PolarHBondContact ND2-NZ 3.32Å; N518-K522 VanDerWaalsContact O-CG 3.31Å; N518-K522 WeakPolarHBondContact O-CG 3.4Å; N518-K522 PolarHBondContact O-N 3.4Å; N518-K522 VanDerWaalsContact O-N 3.14Å; N518-K522 WeakPolarHBondContact OD1-CE 3.36Å; D519-K522 IonicContact OD1-NZ 2.89Å; D519-K522 PolarHBondContact OD1-NZ 2.84Å; K522-G524 VanDerWaalsContact C-N 3.27Å; K522-G524 PolarHBondContact O-N 3.17Å
523	G	73.3	Confident	86.1	Confident	29 Å²	29	39.6 Å²	39.6	30%	0.299	22%	0.222	S	C	.	.	S	Bend	trans	77.6	-6	167.7	0	0	0	0	0	117	S521 R570	S521-G523 PolarHBondContact O-N 2.76Å; G523-R570 VanDerWaalsContact CA-NH1 3.31Å
524	G	81.5	Confident	86.2	Confident	47 Å²	47	37.1 Å²	37.1	49%	0.485	21%	0.209	S	C	.	.	S	Bend	trans	-79.3	-12.7	176.2	0	0	0	0	0	115.1	K522	K522-G524 VanDerWaalsContact C-N 3.27Å; K522-G524 PolarHBondContact O-N 3.17Å
525	Y	89	Confident	86.2	Confident	71 Å²	71	32.1 Å²	32.1	28%	0.278	18%	0.178	S	C	.	.			trans	-112.1	140.2	-175.3	-67.4	-82.5	0	0	0	111.8	F515 V537 P539	F515-Y525 HydrophobicContact CE1-CD1 4.28Å; F515-Y525 AromaticContact CE1-CE1 3.77Å; F515-Y525 HydrophobicContact CE1-CE1 3.77Å; F515-Y525 HydrophobicContact CE1-CE2 4.1Å; F515-Y525 AromaticContact CE1-CZ 3.67Å; F515-Y525 HydrophobicContact CZ-CD1 4.45Å; F515-Y525 AromaticContact CZ-CE1 4Å; F515-Y525 HydrophobicContact CZ-CE1 4Å; Y525-V537 HydrophobicContact CD1-CB 4.41Å; Y525-V537 HydrophobicContact CD1-CG2 4.14Å; Y525-P539 HydrophobicContact CD1-CB 4.22Å; Y525-P539 HydrophobicContact CE1-CB 4.18Å; Y525-P539 HydrophobicContact CE1-CG 4.27Å
526	Y	92.8	Very high	86.3	Confident	49 Å²	49	31.4 Å²	31.4	19%	0.192	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	138.3	173.4	-78.3	-120.2	0	0	0	109.8	V537 T538 P541 L565 R570	Y526-V537 CarbonylContact O-C 3.53Å; Y526-V537 WeakPolarHBondContact O-CA 3.49Å; Y526-T538 PolarHBondContact N-O 3.3Å; Y526-T538 PolarHBondContact O-N 2.96Å; Y526-P541 HydrophobicContact CD1-CB 3.82Å; Y526-P541 HydrophobicContact CD1-CG 3.92Å; Y526-P541 HydrophobicContact CD2-CB 4.33Å; Y526-P541 HydrophobicContact CD2-CG 3.77Å; Y526-P541 HydrophobicContact CE1-CB 4.34Å; Y526-P541 HydrophobicContact CE1-CG 4.08Å; Y526-P541 HydrophobicContact CE2-CG 3.95Å; Y526-P541 HydrophobicContact CG-CB 3.82Å; Y526-P541 HydrophobicContact CG-CG 3.78Å; Y526-L565 HydrophobicContact CD1-CD1 3.78Å; Y526-L565 HydrophobicContact CE1-CD1 3.88Å; Y526-R570 CarbonylContact C-O 3.56Å; Y526-R570 WeakPolarHBondContact CA-O 3.3Å; Y526-R570 VanDerWaalsContact CD1-CA 3.48Å; Y526-R570 HydrophobicContact CD1-CB 4.03Å; Y526-R570 HydrophobicContact CD2-CB 4.47Å; Y526-R570 HydrophobicContact CE1-CB 4.08Å; Y526-R570 HydrophobicContact CE2-CB 4.49Å; Y526-R570 HydrophobicContact CG-CB 4.22Å
527	Y	93.2	Very high	86.7	Confident	6 Å²	6	26.7 Å²	26.7	2%	0.024	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	139.2	176.4	-64.9	-81	0	0	0	111.3	I325 L329 V512 L520 V537 R570 S571 V572	I325-Y527 HydrophobicContact CG2-CE1 4.41Å; L329-Y527 HydrophobicContact CD1-CD1 4.02Å; L329-Y527 HydrophobicContact CD1-CD2 4.42Å; L329-Y527 HydrophobicContact CD1-CE1 3.94Å; L329-Y527 HydrophobicContact CD1-CE2 4.35Å; L329-Y527 HydrophobicContact CD1-CG 4.25Å; L329-Y527 HydrophobicContact CD2-CD2 3.89Å; L329-Y527 HydrophobicContact CD2-CE1 4.33Å; L329-Y527 HydrophobicContact CD2-CE2 3.4Å; L329-Y527 VanDerWaalsContact CD2-CE2 3.4Å; L329-Y527 HydrophobicContact CG-CE2 4.42Å; V512-Y527 HydrophobicContact CG2-CE1 4.41Å; L520-Y527 WeakPolarHBondContact CB-OH 3.41Å; L520-Y527 HydrophobicContact CD1-CE1 4.4Å; L520-Y527 HydrophobicContact CD2-CE1 3.96Å; Y527-V537 HydrophobicContact CD1-CG1 3.68Å; Y527-V537 HydrophobicContact CE1-CG1 3.98Å; Y527-V537 HydrophobicContact CG-CG1 4.41Å; Y527-R570 PolarHBondContact N-O 3.35Å; Y527-S571 CarbonylContact O-C 3.57Å; Y527-S571 VanDerWaalsContact O-CA 3.24Å; Y527-S571 WeakPolarHBondContact O-CA 3.17Å; Y527-V572 PolarHBondContact O-N 2.96Å
528	V	94	Very high	87.1	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	117.1	175	-175.6	0	0	0	0	109.2	L504 V509 V535 G536 T538 V572 I574	L504-V528 HydrophobicContact CD1-CG1 4.34Å; V509-V528 HydrophobicContact CG1-CB 4.13Å; V509-V528 HydrophobicContact CG1-CG2 4.02Å; V509-V528 HydrophobicContact CG2-CG2 4.08Å; V528-V535 PolarHBondContact O-N 2.91Å; V528-G536 PolarHBondContact N-O 3.5Å; V528-T538 HydrophobicContact CG2-CG2 3.76Å; V528-V572 WeakPolarHBondContact CA-O 3.48Å; V528-V572 HydrophobicContact CG2-CB 4.41Å; V528-I574 HydrophobicContact CG1-CD1 3.91Å
529	F	92.6	Very high	87.4	Confident	5 Å²	5	27.5 Å²	27.5	2%	0.022	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	134.9	177.7	-68.6	-93.3	0	0	0	111.1	M192 Y326 L329 N533 I534 S571 V572 Y573 I574	M192-F529 HydrophobicContact CE-CE1 4.26Å; M192-F529 HydrophobicContact CE-CZ 4.47Å; Y326-F529 HydrophobicContact CE2-CE1 4.18Å; L329-F529 HydrophobicContact CD1-CZ 4.16Å; F529-N533 CarbonylContact C-O 3.57Å; F529-N533 VanDerWaalsContact CA-O 3.24Å; F529-N533 WeakPolarHBondContact CA-O 3.49Å; F529-I534 HydrophobicContact CD1-CG1 3.72Å; F529-I534 HydrophobicContact CE1-CB 4.46Å; F529-I534 HydrophobicContact CE1-CD1 4.01Å; F529-I534 HydrophobicContact CE1-CG1 3.22Å; F529-I534 HydrophobicContact CZ-CD1 4.35Å; F529-I534 HydrophobicContact CZ-CG1 3.82Å; F529-S571 WeakPolarHBondContact CE2-OG 3.48Å; F529-V572 PolarHBondContact N-O 2.92Å; F529-Y573 HydrophobicContact CB-CD1 3.71Å; F529-Y573 HydrophobicContact CB-CE1 4.1Å; F529-Y573 HydrophobicContact CD1-CE1 4.47Å; F529-Y573 AromaticContact CD2-CD1 3.94Å; F529-Y573 HydrophobicContact CD2-CD1 3.94Å; F529-Y573 AromaticContact CD2-CE1 3.59Å; F529-Y573 HydrophobicContact CD2-CE1 3.59Å; F529-Y573 HydrophobicContact CE2-CE1 4.07Å; F529-Y573 AromaticContact CG-CD1 3.96Å; F529-Y573 HydrophobicContact CG-CD1 3.96Å; F529-Y573 AromaticContact CG-CE1 3.81Å; F529-Y573 HydrophobicContact CG-CE1 3.81Å; F529-I574 WeakPolarHBondContact O-CB 3.07Å; F529-I574 PolarHBondContact O-N 3.13Å
530	V	90.8	Very high	87.8	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	116.1	168.6	178	0	0	0	0	108.9	A497 L500 L504 G532 N533 V535 I574	A497-V530 HydrophobicContact CB-CG1 4.34Å; L500-V530 HydrophobicContact CD2-CG1 4.22Å; L504-V530 HydrophobicContact CD1-CG2 3.51Å; V530-G532 PolarHBondContact O-N 2.84Å; V530-G532 VanDerWaalsContact O-N 3.09Å; V530-N533 PolarHBondContact N-O 3.29Å; V530-N533 WeakPolarHBondContact O-CB 3.5Å; V530-N533 PolarHBondContact O-N 2.8Å; V530-V535 HydrophobicContact CB-CG2 3.74Å; V530-V535 HydrophobicContact CG2-CG2 3.53Å; V530-I574 CarbonylContact C-O 3.59Å; V530-I574 VanDerWaalsContact CA-O 3.31Å; V530-I574 WeakPolarHBondContact CA-O 3.28Å; V530-I574 HydrophobicContact CG2-CB 4.21Å
531	N	87.2	Confident	88.2	Confident	34 Å²	34	31.1 Å²	31.1	18%	0.182	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	31.3	-177	-60.4	-32.8	0	0	0	114.3	N190 N533 I574 A575 S576 D577	N190-N531 WeakPolarHBondContact CB-O 3.31Å; N190-N531 PolarHBondContact ND2-O 3.42Å; N531-N533 VanDerWaalsContact C-N 3.31Å; N531-I574 PolarHBondContact N-O 3.24Å; N531-A575 WeakPolarHBondContact OD1-CA 3.48Å; N531-S576 PolarHBondContact ND2-OG 3.15Å; N531-S576 PolarHBondContact OD1-N 2.69Å; N531-D577 PolarHBondContact OD1-N 3.23Å
532	G	85.3	Confident	88.8	Confident	15 Å²	15	36.2 Å²	36.2	16%	0.155	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	-6.9	-176.4	0	0	0	0	0	115.2	N190 Y326 V530	N190-G532 WeakPolarHBondContact O-CA 3.35Å; Y326-G532 VanDerWaalsContact CE2-O 3.29Å; Y326-G532 WeakPolarHBondContact CE2-O 3.32Å; V530-G532 PolarHBondContact O-N 2.84Å; V530-G532 VanDerWaalsContact O-N 3.09Å
533	N	85.6	Confident	89.7	Confident	45 Å²	45	34.4 Å²	34.4	24%	0.241	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	136.8	170.9	-59.4	-33.3	0	0	0	109.9	P312 F529 V530 N531 V535	P312-N533 WeakPolarHBondContact CA-OD1 2.88Å; P312-N533 WeakPolarHBondContact CB-OD1 3.36Å; P312-N533 WeakPolarHBondContact O-CA 3.38Å; P312-N533 PolarHBondContact O-OD1 3.37Å; F529-N533 CarbonylContact C-O 3.57Å; F529-N533 VanDerWaalsContact CA-O 3.24Å; F529-N533 WeakPolarHBondContact CA-O 3.49Å; V530-N533 PolarHBondContact N-O 3.29Å; V530-N533 WeakPolarHBondContact O-CB 3.5Å; V530-N533 PolarHBondContact O-N 2.8Å; N531-N533 VanDerWaalsContact C-N 3.31Å; N533-V535 PolarHBondContact O-N 2.77Å
534	I	88.4	Confident	90.7	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.026	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	118.6	171.3	-60.6	164.4	0	0	0	108.1	I325 Y326 L329 V512 F529	I325-I534 HydrophobicContact CG2-CD1 4.36Å; Y326-I534 HydrophobicContact CD2-CD1 3.49Å; Y326-I534 VanDerWaalsContact CD2-CD1 3.49Å; Y326-I534 HydrophobicContact CD2-CG1 3.82Å; Y326-I534 HydrophobicContact CE2-CD1 4.47Å; Y326-I534 HydrophobicContact CE2-CG1 4.45Å; Y326-I534 HydrophobicContact CG-CD1 4.09Å; L329-I534 HydrophobicContact CD1-CD1 3.51Å; L329-I534 HydrophobicContact CD1-CG1 4.43Å; V512-I534 HydrophobicContact CB-CG2 4.06Å; V512-I534 HydrophobicContact CG1-CG2 3.94Å; V512-I534 HydrophobicContact CG2-CG2 4.09Å; F529-I534 HydrophobicContact CD1-CG1 3.72Å; F529-I534 HydrophobicContact CE1-CB 4.46Å; F529-I534 HydrophobicContact CE1-CD1 4.01Å; F529-I534 HydrophobicContact CE1-CG1 3.22Å; F529-I534 HydrophobicContact CZ-CD1 4.35Å; F529-I534 HydrophobicContact CZ-CG1 3.82Å
535	V	87.3	Confident	91.2	Very high	7 Å²	7	31.4 Å²	31.4	4%	0.042	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	-49.4	176.4	179	0	0	0	0	110.1	M501 F505 V528 V530 N533	M501-V535 HydrophobicContact CG-CG2 4.22Å; M501-V535 HydrophobicContact SD-CG2 4.33Å; F505-V535 HydrophobicContact CE1-CG1 4.15Å; F505-V535 HydrophobicContact CE2-CG1 4.09Å; F505-V535 HydrophobicContact CZ-CG1 3.64Å; V528-V535 PolarHBondContact O-N 2.91Å; V530-V535 HydrophobicContact CB-CG2 3.74Å; V530-V535 HydrophobicContact CG2-CG2 3.53Å; N533-V535 PolarHBondContact O-N 2.77Å
536	G	91.1	Very high	91.4	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171	-165.6	-172.3	0	0	0	0	0	113.8	E510 V528	E510-G536 CarbonylContact O-C 3.52Å; E510-G536 WeakPolarHBondContact O-CA 3.36Å; V528-G536 PolarHBondContact N-O 3.5Å
537	V	93.3	Very high	91.5	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	154.1	175.5	-67.2	0	0	0	0	111.4	E510 V512 F515 L520 Y525 Y526 Y527	E510-V537 PolarHBondContact N-O 3.45Å; E510-V537 PolarHBondContact O-N 3.07Å; V512-V537 HydrophobicContact CG2-CG1 4.21Å; F515-V537 HydrophobicContact CD1-CG2 4.41Å; F515-V537 HydrophobicContact CD2-CG2 3.56Å; F515-V537 HydrophobicContact CE1-CG2 4.11Å; F515-V537 HydrophobicContact CE2-CG2 3.19Å; F515-V537 HydrophobicContact CG-CG2 4.16Å; F515-V537 HydrophobicContact CZ-CG2 3.48Å; F515-V537 VanDerWaalsContact CZ-CG2 3.48Å; L520-V537 HydrophobicContact CD2-CG1 3.67Å; L520-V537 HydrophobicContact CD2-CG2 4.47Å; Y525-V537 HydrophobicContact CD1-CB 4.41Å; Y525-V537 HydrophobicContact CD1-CG2 4.14Å; Y526-V537 CarbonylContact O-C 3.53Å; Y526-V537 WeakPolarHBondContact O-CA 3.49Å; Y527-V537 HydrophobicContact CD1-CG1 3.68Å; Y527-V537 HydrophobicContact CE1-CG1 3.98Å; Y527-V537 HydrophobicContact CG-CG1 4.41Å
538	T	93.3	Very high	91.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	138.6	175.3	-179.7	0	0	0	0	110.8	Y526 V528 R540 I544	Y526-T538 PolarHBondContact N-O 3.3Å; Y526-T538 PolarHBondContact O-N 2.96Å; V528-T538 HydrophobicContact CG2-CG2 3.76Å; T538-R540 VanDerWaalsContact C-N 3.29Å; T538-R540 PolarHBondContact OG1-N 2.86Å; T538-R540 VanDerWaalsContact OG1-N 3.09Å; T538-I544 HydrophobicContact CG2-CG1 4.11Å
539	P	91.5	Very high	91.5	Very high	67 Å²	67	34.7 Å²	34.7	44%	0.435	18%	0.176	S	C	.	.	S	Bend	trans	-80.2	-10.6	168.7	31.2	-32.1	0	0	0	113	Y525 P541	Y525-P539 HydrophobicContact CD1-CB 4.22Å; Y525-P539 HydrophobicContact CE1-CB 4.18Å; Y525-P539 HydrophobicContact CE1-CG 4.27Å; P539-P541 VanDerWaalsContact C-CD 3.46Å; P539-P541 VanDerWaalsContact O-CD 3.31Å; P539-P541 WeakPolarHBondContact O-CD 3.28Å
540	R	93.2	Very high	91.5	Very high	120 Å²	120	41.2 Å²	41.2	45%	0.453	20%	0.202	S	C	.	.			trans	-121.5	67.3	-173.4	-61.2	178.1	-60	154	-2.1	111.3	T538 H542 E543 I544	T538-R540 VanDerWaalsContact C-N 3.29Å; T538-R540 PolarHBondContact OG1-N 2.86Å; T538-R540 VanDerWaalsContact OG1-N 3.09Å; R540-H542 PolarHBondContact O-N 3.25Å; R540-E543 HydrophobicContact CB-CB 4.18Å; R540-E543 HydrophobicContact CB-CG 4.33Å; R540-E543 VanDerWaalsContact CD-OE2 3.31Å; R540-E543 WeakPolarHBondContact CD-OE2 3.44Å; R540-E543 IonicContact CZ-OE2 3.12Å; R540-E543 VanDerWaalsContact CZ-OE2 3.29Å; R540-E543 IonicContact NE-OE2 3.21Å; R540-E543 IonicContact NH1-OE2 2.65Å; R540-E543 PolarHBondContact NH1-OE2 3.4Å; R540-E543 PolarHBondContact O-N 3.34Å; R540-I544 WeakPolarHBondContact O-CG1 3.31Å; R540-I544 PolarHBondContact O-N 3.18Å
541	P	93.2	Very high	91.6	Very high	9 Å²	9	42.5 Å²	42.5	6%	0.058	21%	0.208	C	C	.	.	H	α-helix	trans	-62.5	-42.6	-173	24.8	-35	0	0	0	113.3	Y526 P539 E543 I544 V545 L565 V572	Y526-P541 HydrophobicContact CD1-CB 3.82Å; Y526-P541 HydrophobicContact CD1-CG 3.92Å; Y526-P541 HydrophobicContact CD2-CB 4.33Å; Y526-P541 HydrophobicContact CD2-CG 3.77Å; Y526-P541 HydrophobicContact CE1-CB 4.34Å; Y526-P541 HydrophobicContact CE1-CG 4.08Å; Y526-P541 HydrophobicContact CE2-CG 3.95Å; Y526-P541 HydrophobicContact CG-CB 3.82Å; Y526-P541 HydrophobicContact CG-CG 3.78Å; P539-P541 VanDerWaalsContact C-CD 3.46Å; P539-P541 VanDerWaalsContact O-CD 3.31Å; P539-P541 WeakPolarHBondContact O-CD 3.28Å; P541-E543 PolarHBondContact O-N 2.94Å; P541-I544 PolarHBondContact O-N 3.11Å; P541-V545 WeakPolarHBondContact O-CG2 3.48Å; P541-V545 PolarHBondContact O-N 3.49Å; P541-L565 HydrophobicContact CB-CD1 3.8Å; P541-V572 HydrophobicContact CB-CG2 3.93Å
542	H	93.2	Very high	91.9	Very high	118 Å²	118	41.5 Å²	41.5	55%	0.546	20%	0.202	S	C	.	.	H	α-helix	trans	-63.6	-40.8	-178.6	-64.7	-75.1	0	0	0	112.3	R540 V545 S546 L565	R540-H542 PolarHBondContact O-N 3.25Å; H542-V545 PolarHBondContact O-N 3.39Å; H542-S546 PolarHBondContact O-N 3.49Å; H542-S546 PolarHBondContact O-OG 3.22Å; H542-S546 VanDerWaalsContact O-OG 3.13Å; H542-L565 WeakPolarHBondContact CE1-CD2 3.49Å
543	E	94	Very high	92.3	Very high	94 Å²	94	43.4 Å²	43.4	44%	0.439	21%	0.205	S	C	.	.	H	α-helix	trans	-63.3	-45.8	177.1	-66.7	178.7	-154.6	0	0	111	R540 P541 V545 S546 E547	R540-E543 HydrophobicContact CB-CB 4.18Å; R540-E543 HydrophobicContact CB-CG 4.33Å; R540-E543 VanDerWaalsContact CD-OE2 3.31Å; R540-E543 WeakPolarHBondContact CD-OE2 3.44Å; R540-E543 IonicContact CZ-OE2 3.12Å; R540-E543 VanDerWaalsContact CZ-OE2 3.29Å; R540-E543 IonicContact NE-OE2 3.21Å; R540-E543 IonicContact NH1-OE2 2.65Å; R540-E543 PolarHBondContact NH1-OE2 3.4Å; R540-E543 PolarHBondContact O-N 3.34Å; P541-E543 PolarHBondContact O-N 2.94Å; E543-V545 VanDerWaalsContact C-N 3.32Å; E543-V545 PolarHBondContact O-N 3.16Å; E543-S546 WeakPolarHBondContact CA-OG 3.33Å; E543-S546 PolarHBondContact O-N 3.48Å; E543-S546 PolarHBondContact O-OG 3.04Å; E543-E547 WeakPolarHBondContact O-CB 3.35Å; E543-E547 VanDerWaalsContact O-CG 3.24Å; E543-E547 WeakPolarHBondContact O-CG 3.2Å; E543-E547 PolarHBondContact O-N 2.74Å
544	I	93.2	Very high	92.5	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-59.9	-43.3	177	-64.3	-63.3	0	0	0	111.1	L504 L507 V509 T538 R540 P541 E547 V548	L504-I544 HydrophobicContact CD2-CG2 4.36Å; L507-I544 HydrophobicContact CB-CD1 3.81Å; L507-I544 WeakPolarHBondContact O-CD1 3.37Å; V509-I544 HydrophobicContact CG2-CD1 4.1Å; V509-I544 HydrophobicContact CG2-CG1 4.47Å; T538-I544 HydrophobicContact CG2-CG1 4.11Å; R540-I544 WeakPolarHBondContact O-CG1 3.31Å; R540-I544 PolarHBondContact O-N 3.18Å; P541-I544 PolarHBondContact O-N 3.11Å; I544-E547 PolarHBondContact O-N 3.48Å; I544-V548 HydrophobicContact CG2-CG2 4.29Å; I544-V548 VanDerWaalsContact O-CG2 3.25Å; I544-V548 WeakPolarHBondContact O-CG2 3.49Å; I544-V548 PolarHBondContact O-N 3.07Å
545	V	93.9	Very high	92.4	Very high	8 Å²	8	46.5 Å²	46.5	5%	0.048	24%	0.238	C	C	.	.	H	α-helix	trans	-63.2	-45.2	177.7	174.9	0	0	0	0	111.1	P541 H542 E543 R549 V563 L565 V572	P541-V545 WeakPolarHBondContact O-CG2 3.48Å; P541-V545 PolarHBondContact O-N 3.49Å; H542-V545 PolarHBondContact O-N 3.39Å; E543-V545 VanDerWaalsContact C-N 3.32Å; E543-V545 PolarHBondContact O-N 3.16Å; V545-R549 WeakPolarHBondContact O-CB 3.41Å; V545-R549 VanDerWaalsContact O-CG 3.32Å; V545-R549 WeakPolarHBondContact O-CG 3.46Å; V545-R549 PolarHBondContact O-N 2.89Å; V545-V563 HydrophobicContact CB-CG1 4.43Å; V545-V563 HydrophobicContact CG1-CG1 4.27Å; V545-V563 HydrophobicContact CG2-CG1 4.04Å; V545-L565 HydrophobicContact CG2-CB 4.28Å; V545-V572 HydrophobicContact CG2-CG1 3.94Å; V545-V572 HydrophobicContact CG2-CG2 4.25Å
546	S	93.1	Very high	92.6	Very high	62 Å²	62	51.7 Å²	51.7	43%	0.434	26%	0.264	S	S	.	.	H	α-helix	trans	-65.8	-40.9	178.3	54.5	0	0	0	0	112.7	H542 E543 R549 Y550	H542-S546 PolarHBondContact O-N 3.49Å; H542-S546 PolarHBondContact O-OG 3.22Å; H542-S546 VanDerWaalsContact O-OG 3.13Å; E543-S546 WeakPolarHBondContact CA-OG 3.33Å; E543-S546 PolarHBondContact O-N 3.48Å; E543-S546 PolarHBondContact O-OG 3.04Å; S546-R549 PolarHBondContact O-N 3.16Å; S546-Y550 VanDerWaalsContact O-CB 3.3Å; S546-Y550 WeakPolarHBondContact O-CB 3.43Å; S546-Y550 PolarHBondContact O-N 3.29Å
547	E	93.6	Very high	92.5	Very high	87 Å²	87	52.1 Å²	52.1	41%	0.407	27%	0.266	S	S	.	.	H	α-helix	trans	-67.5	-44.7	179.3	-71.4	-59.4	149.6	0	0	111.3	L507 E543 I544 R549 Y550 L551	L507-E547 HydrophobicContact CD1-CB 4.29Å; L507-E547 HydrophobicContact CD2-CB 3.99Å; L507-E547 HydrophobicContact CD2-CG 4.38Å; E543-E547 WeakPolarHBondContact O-CB 3.35Å; E543-E547 VanDerWaalsContact O-CG 3.24Å; E543-E547 WeakPolarHBondContact O-CG 3.2Å; E543-E547 PolarHBondContact O-N 2.74Å; I544-E547 PolarHBondContact O-N 3.48Å; E547-R549 VanDerWaalsContact C-N 3.34Å; E547-R549 PolarHBondContact O-N 3.33Å; E547-Y550 WeakPolarHBondContact O-CB 3.34Å; E547-Y550 PolarHBondContact O-N 2.91Å; E547-Y550 VanDerWaalsContact O-N 3.17Å; E547-L551 VanDerWaalsContact O-CG 3.29Å; E547-L551 WeakPolarHBondContact O-CG 3.46Å; E547-L551 PolarHBondContact O-N 3.12Å
548	V	93.6	Very high	92.4	Very high	3 Å²	3	56.5 Å²	56.5	2%	0.018	29%	0.287	C	S	.	.	H	α-helix	trans	-64.9	-39.6	177.2	-179.2	0	0	0	0	111	L504 L507 I544 Y550 L551 R552 V563	L504-V548 HydrophobicContact CD2-CG2 3.98Å; L507-V548 HydrophobicContact CD1-CG2 3.86Å; I544-V548 HydrophobicContact CG2-CG2 4.29Å; I544-V548 VanDerWaalsContact O-CG2 3.25Å; I544-V548 WeakPolarHBondContact O-CG2 3.49Å; I544-V548 PolarHBondContact O-N 3.07Å; V548-Y550 VanDerWaalsContact C-N 3.35Å; V548-L551 PolarHBondContact O-N 2.91Å; V548-R552 WeakPolarHBondContact O-CB 3.34Å; V548-R552 PolarHBondContact O-N 3.07Å; V548-V563 HydrophobicContact CB-CG2 4.06Å; V548-V563 HydrophobicContact CG1-CG2 3.46Å; V548-V563 VanDerWaalsContact CG1-CG2 3.46Å
549	R	93.5	Very high	92.2	Very high	43 Å²	43	58.2 Å²	58.2	16%	0.162	30%	0.295	C	S	.	.	H	α-helix	trans	-62	-42.1	172.5	-76.1	179.8	176.1	149.8	10.7	111.6	V545 S546 E547 R552 R553 V563 E626 D629	V545-R549 WeakPolarHBondContact O-CB 3.41Å; V545-R549 VanDerWaalsContact O-CG 3.32Å; V545-R549 WeakPolarHBondContact O-CG 3.46Å; V545-R549 PolarHBondContact O-N 2.89Å; S546-R549 PolarHBondContact O-N 3.16Å; E547-R549 VanDerWaalsContact C-N 3.34Å; E547-R549 PolarHBondContact O-N 3.33Å; R549-R552 WeakPolarHBondContact O-CB 3.43Å; R549-R552 PolarHBondContact O-N 3.49Å; R549-R553 WeakPolarHBondContact O-CD 3.33Å; R549-R553 WeakPolarHBondContact O-CG 3.5Å; R549-R553 PolarHBondContact O-N 2.8Å; R549-V563 PolarHBondContact NH2-O 2.73Å; R549-E626 IonicContact CZ-OE1 3.52Å; R549-E626 IonicContact NE-OE1 2.69Å; R549-E626 PolarHBondContact NE-OE1 3.47Å; R549-E626 IonicContact NH2-OE1 3.23Å; R549-D629 IonicContact CZ-OD2 2.63Å; R549-D629 IonicContact NH1-OD2 3.74Å; R549-D629 PolarHBondContact NH1-OD2 3.34Å; R549-D629 VanDerWaalsContact NH1-OD2 3.13Å; R549-D629 IonicContact NH2-OD2 2.69Å; R549-D629 PolarHBondContact NH2-OD2 3.08Å
550	Y	92.9	Very high	92.3	Very high	142 Å²	142	55.4 Å²	55.4	56%	0.557	28%	0.276	S	S	*	.	H	α-helix	trans	-62.8	-47.5	176.6	180	-102.3	0	0	0	111.8	S546 E547 V548 R552 R553 C554	S546-Y550 VanDerWaalsContact O-CB 3.3Å; S546-Y550 WeakPolarHBondContact O-CB 3.43Å; S546-Y550 PolarHBondContact O-N 3.29Å; E547-Y550 WeakPolarHBondContact O-CB 3.34Å; E547-Y550 PolarHBondContact O-N 2.91Å; E547-Y550 VanDerWaalsContact O-N 3.17Å; V548-Y550 VanDerWaalsContact C-N 3.35Å; Y550-R552 VanDerWaalsContact C-N 3.28Å; Y550-R552 PolarHBondContact O-N 3.32Å; Y550-R553 PolarHBondContact O-N 3.49Å; Y550-R553 VanDerWaalsContact O-N 3.12Å; Y550-C554 PolarHBondContact O-N 3.25Å; Y550-C554 PolarHBondContact O-SG 3.49Å; Y550-C554 VanDerWaalsContact O-SG 3.36Å
551	L	93.6	Very high	92.3	Very high	28 Å²	28	50 Å²	50	15%	0.147	26%	0.256	C	S	.	.	H	α-helix	trans	-61.1	-35.2	176	-67.5	175.7	0	0	0	112.6	I503 L507 E547 V548 G555 I556 V557	I503-L551 HydrophobicContact CG2-CD1 3.66Å; L507-L551 HydrophobicContact CD1-CD1 4.05Å; L507-L551 HydrophobicContact CD2-CD1 4.42Å; E547-L551 VanDerWaalsContact O-CG 3.29Å; E547-L551 WeakPolarHBondContact O-CG 3.46Å; E547-L551 PolarHBondContact O-N 3.12Å; V548-L551 PolarHBondContact O-N 2.91Å; L551-G555 PolarHBondContact O-N 2.86Å; L551-I556 HydrophobicContact CD2-CD1 3.76Å; L551-I556 PolarHBondContact O-N 2.62Å; L551-V557 HydrophobicContact CB-CG2 3.87Å; L551-V557 PolarHBondContact O-N 3.34Å
552	R	93.4	Very high	92.4	Very high	14 Å²	14	49.6 Å²	49.6	5%	0.053	25%	0.254	C	S	.	.	H	α-helix	trans	-65	-46.1	172.2	-177.3	178.7	71.4	-169.2	1.8	111.5	V548 R549 Y550 C554 G555 V557 V561 E620 E626	V548-R552 WeakPolarHBondContact O-CB 3.34Å; V548-R552 PolarHBondContact O-N 3.07Å; R549-R552 WeakPolarHBondContact O-CB 3.43Å; R549-R552 PolarHBondContact O-N 3.49Å; Y550-R552 VanDerWaalsContact C-N 3.28Å; Y550-R552 PolarHBondContact O-N 3.32Å; R552-C554 VanDerWaalsContact C-N 3.26Å; R552-C554 PolarHBondContact O-N 3.09Å; R552-G555 PolarHBondContact O-N 3.23Å; R552-V557 HydrophobicContact CB-CB 4.37Å; R552-V561 VanDerWaalsContact CD-O 3.3Å; R552-V561 WeakPolarHBondContact CD-O 3.35Å; R552-V561 PolarHBondContact NH1-O 3.47Å; R552-E620 IonicContact CZ-OE2 3.38Å; R552-E620 IonicContact NE-OE2 2.73Å; R552-E620 IonicContact NH2-OE2 2.7Å; R552-E620 PolarHBondContact NH2-OE2 3.12Å; R552-E626 IonicContact CZ-OE1 3.56Å; R552-E626 IonicContact CZ-OE2 2.77Å; R552-E626 IonicContact NH1-OE1 3.37Å; R552-E626 PolarHBondContact NH1-OE1 2.89Å; R552-E626 IonicContact NH1-OE2 3.86Å; R552-E626 PolarHBondContact NH1-OE2 2.85Å; R552-E626 IonicContact NH2-OE1 3.65Å; R552-E626 PolarHBondContact NH2-OE1 2.79Å; R552-E626 IonicContact NH2-OE2 3.49Å
553	R	92.6	Very high	92.5	Very high	55 Å²	55	44 Å²	44	21%	0.208	23%	0.228	C	C	.	.	H	α-helix	trans	-66.3	-26.2	179	-69.2	163.7	-174.1	178.3	-0.3	113.1	R549 Y550 G555 L587 E620	R549-R553 WeakPolarHBondContact O-CD 3.33Å; R549-R553 WeakPolarHBondContact O-CG 3.5Å; R549-R553 PolarHBondContact O-N 2.8Å; Y550-R553 PolarHBondContact O-N 3.49Å; Y550-R553 VanDerWaalsContact O-N 3.12Å; R553-G555 VanDerWaalsContact C-N 3.32Å; R553-L587 VanDerWaalsContact NH2-CD1 3.34Å; R553-E620 IonicContact CZ-OE1 2.95Å; R553-E620 IonicContact CZ-OE2 3.59Å; R553-E620 IonicContact NE-OE1 3.23Å; R553-E620 PolarHBondContact NE-OE1 3.17Å; R553-E620 IonicContact NE-OE2 2.83Å; R553-E620 PolarHBondContact NE-OE2 3.12Å; R553-E620 IonicContact NH2-OE1 2.59Å; R553-E620 PolarHBondContact NH2-OE1 3.2Å; R553-E620 IonicContact NH2-OE2 3.45Å
554	C	90.4	Very high	92.4	Very high	64 Å²	64	40.3 Å²	40.3	43%	0.432	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-2.9	172.3	-66	0	0	0	0	113.8	Y550 R552 I556	Y550-C554 PolarHBondContact O-N 3.25Å; Y550-C554 PolarHBondContact O-SG 3.49Å; Y550-C554 VanDerWaalsContact O-SG 3.36Å; R552-C554 VanDerWaalsContact C-N 3.26Å; R552-C554 PolarHBondContact O-N 3.09Å; C554-I556 VanDerWaalsContact C-N 3.35Å; C554-I556 HydrophobicContact CB-CD1 4.43Å; C554-I556 HydrophobicContact CB-CG1 4.47Å; C554-I556 PolarHBondContact O-N 3.22Å
555	G	87.3	Confident	92.4	Very high	51 Å²	51	41 Å²	41	53%	0.526	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	11.4	-179.8	0	0	0	0	0	115.7	L551 R552 R553	L551-G555 PolarHBondContact O-N 2.86Å; R552-G555 PolarHBondContact O-N 3.23Å; R553-G555 VanDerWaalsContact C-N 3.32Å
556	I	89.6	Confident	92.3	Very high	115 Å²	115	44 Å²	44	59%	0.59	23%	0.225	S	C	*	.	S	Bend	trans	-77.1	-44.3	176.3	-62.8	169.3	0	0	0	110.1	L551 C554	L551-I556 HydrophobicContact CD2-CD1 3.76Å; L551-I556 PolarHBondContact O-N 2.62Å; C554-I556 VanDerWaalsContact C-N 3.35Å; C554-I556 HydrophobicContact CB-CD1 4.43Å; C554-I556 HydrophobicContact CB-CG1 4.47Å; C554-I556 PolarHBondContact O-N 3.22Å
557	V	89.7	Confident	92	Very high	9 Å²	9	46.9 Å²	46.9	6%	0.055	23%	0.231	C	C	.	.	S	Bend	trans	-94.9	142.3	173	176.3	0	0	0	0	108.7	L500 I503 L551 R552 E559 V561	L500-V557 HydrophobicContact CD1-CG1 4.1Å; L500-V557 HydrophobicContact CD1-CG2 4.48Å; I503-V557 HydrophobicContact CD1-CG2 4.08Å; L551-V557 HydrophobicContact CB-CG2 3.87Å; L551-V557 PolarHBondContact O-N 3.34Å; R552-V557 HydrophobicContact CB-CB 4.37Å; V557-E559 PolarHBondContact O-N 3.38Å; V557-V561 HydrophobicContact CG1-CB 3.68Å; V557-V561 HydrophobicContact CG1-CG1 4.02Å; V557-V561 HydrophobicContact CG1-CG2 3.61Å
558	H	90.5	Very high	91.7	Very high	94 Å²	94	47.7 Å²	47.7	44%	0.435	24%	0.238	S	C	.	.			trans	-56.6	138.4	-179.2	-165.5	-81.6	0	0	0	112.1	F560 V561	H558-F560 AromaticContact CE1-CD2 3.28Å; H558-F560 WeakPolarHBondContact CE1-CD2 3.48Å; H558-F560 AromaticContact CE1-CE2 3.73Å; H558-F560 AromaticContact ND1-CD2 3.66Å; H558-F560 PolarHBondContact ND1-N 3.29Å; H558-F560 PolarHBondContact O-N 3.01Å; H558-V561 HydrophobicContact CB-CG2 4.2Å; H558-V561 PolarHBondContact O-N 3.03Å
559	E	91	Very high	91.3	Very high	36 Å²	36	48.5 Å²	48.5	17%	0.168	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-20.8	-171.7	64.3	-176.4	-153.2	0	0	115.4	R44 V557 V614 Y621	R44-E559 IonicContact CZ-OE1 2.7Å; R44-E559 IonicContact NH2-OE1 3.38Å; R44-E559 PolarHBondContact NH2-OE1 3.43Å; V557-E559 PolarHBondContact O-N 3.38Å; E559-V614 HydrophobicContact CB-CG1 4.04Å; E559-V614 WeakPolarHBondContact OE2-CG1 3.41Å; E559-Y621 HydrophobicContact CB-CD2 4.37Å; E559-Y621 HydrophobicContact CG-CD2 4.27Å; E559-Y621 HydrophobicContact CG-CE2 4.4Å
560	F	93.1	Very high	91.1	Very high	7 Å²	7	49.1 Å²	49.1	3%	0.031	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-0.2	-179.3	-58.1	-47.8	0	0	0	114.8	H490 T492 H558 S562 R580 Y621	H490-F560 AromaticContact CE1-CE1 3.72Å; H490-F560 AromaticContact CE1-CE2 3.39Å; H490-F560 WeakPolarHBondContact CE1-CE2 3.37Å; H490-F560 AromaticContact CE1-CZ 3.11Å; H490-F560 WeakPolarHBondContact CE1-CZ 3.36Å; H490-F560 AromaticContact ND1-CE1 3.37Å; H490-F560 WeakPolarHBondContact ND1-CE1 3.41Å; H490-F560 AromaticContact ND1-CE2 3.9Å; H490-F560 AromaticContact ND1-CZ 3.3Å; H490-F560 VanDerWaalsContact ND1-CZ 3.3Å; H490-F560 WeakPolarHBondContact ND1-CZ 3.5Å; H490-F560 AromaticContact NE2-CZ 3.87Å; T492-F560 HydrophobicContact CG2-CB 3.8Å; T492-F560 HydrophobicContact CG2-CD1 4.3Å; T492-F560 HydrophobicContact CG2-CD2 4.41Å; T492-F560 HydrophobicContact CG2-CG 3.93Å; H558-F560 AromaticContact CE1-CD2 3.28Å; H558-F560 WeakPolarHBondContact CE1-CD2 3.48Å; H558-F560 AromaticContact CE1-CE2 3.73Å; H558-F560 AromaticContact ND1-CD2 3.66Å; H558-F560 PolarHBondContact ND1-N 3.29Å; H558-F560 PolarHBondContact O-N 3.01Å; F560-S562 PolarHBondContact O-N 3.27Å; F560-S562 VanDerWaalsContact O-N 3.13Å; F560-R580 PolarHBondContact O-NH1 3.14Å; F560-R580 PolarHBondContact O-NH2 3.22Å; F560-Y621 HydrophobicContact CD1-CD2 4.08Å; F560-Y621 HydrophobicContact CD1-CG 4.02Å; F560-Y621 HydrophobicContact CE1-CD1 4.01Å; F560-Y621 AromaticContact CE1-CD2 3.64Å; F560-Y621 HydrophobicContact CE1-CD2 3.64Å; F560-Y621 HydrophobicContact CE1-CE1 4.17Å; F560-Y621 AromaticContact CE1-CE2 3.81Å; F560-Y621 HydrophobicContact CE1-CE2 3.81Å; F560-Y621 AromaticContact CE1-CG 3.74Å; F560-Y621 HydrophobicContact CE1-CG 3.74Å; F560-Y621 HydrophobicContact CZ-CE2 4.41Å
561	V	93.8	Very high	91.1	Very high	6 Å²	6	42.5 Å²	42.5	4%	0.036	22%	0.218	C	C	.	.			trans	-67.5	113.5	174.3	175.9	0	0	0	0	107.6	L500 R552 V557 H558 V563 I574 A575	L500-V561 HydrophobicContact CD1-CG1 4.24Å; L500-V561 HydrophobicContact CD2-CG1 3.96Å; L500-V561 HydrophobicContact CD2-CG2 4.48Å; R552-V561 VanDerWaalsContact CD-O 3.3Å; R552-V561 WeakPolarHBondContact CD-O 3.35Å; R552-V561 PolarHBondContact NH1-O 3.47Å; V557-V561 HydrophobicContact CG1-CB 3.68Å; V557-V561 HydrophobicContact CG1-CG1 4.02Å; V557-V561 HydrophobicContact CG1-CG2 3.61Å; H558-V561 HydrophobicContact CB-CG2 4.2Å; H558-V561 PolarHBondContact O-N 3.03Å; V561-V563 HydrophobicContact CG1-CG2 4.47Å; V561-I574 HydrophobicContact CG1-CG2 3.7Å; V561-A575 WeakPolarHBondContact CA-O 3.21Å
562	S	94.2	Very high	91.1	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.014	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	142.7	178.7	61	0	0	0	0	110.1	F560 I574 A575 R580 D623 E626	F560-S562 PolarHBondContact O-N 3.27Å; F560-S562 VanDerWaalsContact O-N 3.13Å; S562-I574 WeakPolarHBondContact O-CA 3.3Å; S562-A575 PolarHBondContact N-O 3.39Å; S562-A575 VanDerWaalsContact N-O 3.08Å; S562-A575 PolarHBondContact O-N 3.22Å; S562-A575 WeakPolarHBondContact OG-CB 3.29Å; S562-R580 VanDerWaalsContact CB-NH1 3.34Å; S562-R580 PolarHBondContact OG-NH1 2.93Å; S562-D623 VanDerWaalsContact CB-CG 3.41Å; S562-D623 PolarHBondContact OG-OD2 3.38Å; S562-E626 WeakPolarHBondContact CA-OE2 3.5Å
563	V	94.5	Very high	91.2	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	125.4	178.8	-167.7	0	0	0	0	109.2	V545 V548 R549 V561 V572 Y573 I574 E626	V545-V563 HydrophobicContact CB-CG1 4.43Å; V545-V563 HydrophobicContact CG1-CG1 4.27Å; V545-V563 HydrophobicContact CG2-CG1 4.04Å; V548-V563 HydrophobicContact CB-CG2 4.06Å; V548-V563 HydrophobicContact CG1-CG2 3.46Å; V548-V563 VanDerWaalsContact CG1-CG2 3.46Å; R549-V563 PolarHBondContact NH2-O 2.73Å; V561-V563 HydrophobicContact CG1-CG2 4.47Å; V563-V572 HydrophobicContact CG1-CG1 3.95Å; V563-Y573 WeakPolarHBondContact CA-O 3.5Å; V563-I574 HydrophobicContact CG1-CG1 3.93Å; V563-I574 HydrophobicContact CG2-CG1 4.28Å; V563-I574 HydrophobicContact CG2-CG2 4.42Å; V563-E626 PolarHBondContact N-OE2 3.45Å; V563-E626 WeakPolarHBondContact O-CG 3.31Å
564	F	93	Very high	91.3	Very high	16 Å²	16	39.5 Å²	39.5	7%	0.07	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	144.4	173.5	74.1	-85.9	0	0	0	111.4	Y573 N625	F564-Y573 HydrophobicContact CD2-CD2 4.2Å; F564-Y573 HydrophobicContact CE1-CD2 4.17Å; F564-Y573 AromaticContact CE1-CG 3.92Å; F564-Y573 HydrophobicContact CE1-CG 3.92Å; F564-Y573 AromaticContact CE2-CD2 3.4Å; F564-Y573 HydrophobicContact CE2-CD2 3.4Å; F564-Y573 HydrophobicContact CE2-CE2 4.16Å; F564-Y573 HydrophobicContact CE2-CG 4.01Å; F564-Y573 HydrophobicContact CZ-CD1 4.49Å; F564-Y573 AromaticContact CZ-CD2 3.38Å; F564-Y573 HydrophobicContact CZ-CD2 3.38Å; F564-Y573 HydrophobicContact CZ-CE2 4.26Å; F564-Y573 AromaticContact CZ-CG 3.51Å; F564-Y573 HydrophobicContact CZ-CG 3.51Å; F564-Y573 PolarHBondContact N-O 3.04Å; F564-Y573 PolarHBondContact O-N 2.81Å; F564-N625 HydrophobicContact CD1-CB 3.39Å; F564-N625 HydrophobicContact CD2-CB 4.45Å; F564-N625 HydrophobicContact CE1-CB 3.4Å; F564-N625 HydrophobicContact CE2-CB 4.46Å; F564-N625 HydrophobicContact CG-CB 3.94Å; F564-N625 HydrophobicContact CZ-CB 3.98Å
565	L	93.6	Very high	91.4	Very high	18 Å²	18	37 Å²	37	9%	0.094	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	131.5	173.2	179	61.1	0	0	0	109	Y526 P541 H542 V545 E567 V572	Y526-L565 HydrophobicContact CD1-CD1 3.78Å; Y526-L565 HydrophobicContact CE1-CD1 3.88Å; P541-L565 HydrophobicContact CB-CD1 3.8Å; H542-L565 WeakPolarHBondContact CE1-CD2 3.49Å; V545-L565 HydrophobicContact CG2-CB 4.28Å; L565-E567 HydrophobicContact CD2-CG 4.28Å; L565-E567 HydrophobicContact CG-CG 4.28Å; L565-V572 HydrophobicContact CD1-CG2 3.8Å
566	Y	90.4	Very high	91.6	Very high	73 Å²	73	34.6 Å²	34.6	29%	0.286	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	101.7	171	-164.3	-102.1	0	0	0	109.9	L568 H569 R570 S571	Y566-L568 HydrophobicContact CD1-CB 4.24Å; Y566-L568 HydrophobicContact CE1-CB 3.68Å; Y566-L568 HydrophobicContact CE1-CD1 4.47Å; Y566-L568 PolarHBondContact O-N 2.62Å; Y566-H569 HydrophobicContact CD1-CB 3.68Å; Y566-H569 AromaticContact CD1-CD2 3.88Å; Y566-H569 AromaticContact CD1-CE1 3.63Å; Y566-H569 AromaticContact CD1-CG 3.31Å; Y566-H569 AromaticContact CD1-ND1 3.2Å; Y566-H569 WeakPolarHBondContact CD1-ND1 3.3Å; Y566-H569 HydrophobicContact CE1-CB 4.25Å; Y566-H569 AromaticContact CE1-CD2 3.53Å; Y566-H569 AromaticContact CE1-CE1 3.26Å; Y566-H569 WeakPolarHBondContact CE1-CE1 3.5Å; Y566-H569 AromaticContact CE1-CG 3.47Å; Y566-H569 VanDerWaalsContact CE1-CG 3.47Å; Y566-H569 AromaticContact CE1-ND1 3.35Å; Y566-H569 WeakPolarHBondContact CE1-ND1 3.43Å; Y566-H569 AromaticContact CE1-NE2 3.43Å; Y566-H569 WeakPolarHBondContact CE1-NE2 3.39Å; Y566-H569 PolarHBondContact O-N 2.79Å; Y566-R570 PolarHBondContact O-N 3.35Å; Y566-S571 PolarHBondContact N-O 2.87Å; Y566-S571 PolarHBondContact O-N 2.61Å; Y566-S571 VanDerWaalsContact O-N 3.13Å
567	E	88.1	Confident	91.5	Very high	122 Å²	122	30.6 Å²	30.6	57%	0.57	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-40.7	-170.9	-64	-175.3	170.1	0	0	112.8	L565 H569 R570	L565-E567 HydrophobicContact CD2-CG 4.28Å; L565-E567 HydrophobicContact CG-CG 4.28Å; E567-H569 VanDerWaalsContact C-N 3.33Å; E567-H569 PolarHBondContact O-N 3.02Å; E567-R570 WeakPolarHBondContact O-CA 3.45Å; E567-R570 PolarHBondContact O-N 3.11Å
568	L	85.9	Confident	91.5	Very high	103 Å²	103	31 Å²	31	54%	0.539	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-36.2	-177.8	-66.8	173.1	0	0	0	112.9	Y566 R570	Y566-L568 HydrophobicContact CD1-CB 4.24Å; Y566-L568 HydrophobicContact CE1-CB 3.68Å; Y566-L568 HydrophobicContact CE1-CD1 4.47Å; Y566-L568 PolarHBondContact O-N 2.62Å; L568-R570 VanDerWaalsContact C-N 3.33Å
569	H	86	Confident	91.5	Very high	20 Å²	20	26.8 Å²	26.8	9%	0.093	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	0.5	173.4	-57.3	155.8	0	0	0	112.9	R333 Y566 E567 S571 Y573	R333-H569 PolarHBondContact NE-CE1 2.69Å; R333-H569 VanDerWaalsContact NE-CE1 3.3Å; R333-H569 PolarHBondContact NE-NE2 3.25Å; R333-H569 PolarHBondContact NH2-CE1 3.21Å; R333-H569 PolarHBondContact NH2-NE2 2.98Å; R333-H569 VanDerWaalsContact NH2-NE2 3.19Å; Y566-H569 HydrophobicContact CD1-CB 3.68Å; Y566-H569 AromaticContact CD1-CD2 3.88Å; Y566-H569 AromaticContact CD1-CE1 3.63Å; Y566-H569 AromaticContact CD1-CG 3.31Å; Y566-H569 AromaticContact CD1-ND1 3.2Å; Y566-H569 WeakPolarHBondContact CD1-ND1 3.3Å; Y566-H569 HydrophobicContact CE1-CB 4.25Å; Y566-H569 AromaticContact CE1-CD2 3.53Å; Y566-H569 AromaticContact CE1-CE1 3.26Å; Y566-H569 WeakPolarHBondContact CE1-CE1 3.5Å; Y566-H569 AromaticContact CE1-CG 3.47Å; Y566-H569 VanDerWaalsContact CE1-CG 3.47Å; Y566-H569 AromaticContact CE1-ND1 3.35Å; Y566-H569 WeakPolarHBondContact CE1-ND1 3.43Å; Y566-H569 AromaticContact CE1-NE2 3.43Å; Y566-H569 WeakPolarHBondContact CE1-NE2 3.39Å; Y566-H569 PolarHBondContact O-N 2.79Å; E567-H569 VanDerWaalsContact C-N 3.33Å; E567-H569 PolarHBondContact O-N 3.02Å; H569-S571 VanDerWaalsContact C-N 3.27Å; H569-S571 PolarHBondContact O-N 2.84Å; H569-S571 PolarHBondContact O-OG 3.19Å; H569-Y573 PolarHBondContact ND1-OH 3.05Å
570	R	89.5	Confident	91.6	Very high	56 Å²	56	25.3 Å²	25.3	21%	0.211	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	46	51	-171	-56	179.8	-60.2	-162.4	3	112	G523 Y526 Y527 Y566 E567 L568	G523-R570 VanDerWaalsContact CA-NH1 3.31Å; Y526-R570 CarbonylContact C-O 3.56Å; Y526-R570 WeakPolarHBondContact CA-O 3.3Å; Y526-R570 VanDerWaalsContact CD1-CA 3.48Å; Y526-R570 HydrophobicContact CD1-CB 4.03Å; Y526-R570 HydrophobicContact CD2-CB 4.47Å; Y526-R570 HydrophobicContact CE1-CB 4.08Å; Y526-R570 HydrophobicContact CE2-CB 4.49Å; Y526-R570 HydrophobicContact CG-CB 4.22Å; Y527-R570 PolarHBondContact N-O 3.35Å; Y566-R570 PolarHBondContact O-N 3.35Å; E567-R570 WeakPolarHBondContact O-CA 3.45Å; E567-R570 PolarHBondContact O-N 3.11Å; L568-R570 VanDerWaalsContact C-N 3.33Å
571	S	92.5	Very high	91.7	Very high	4 Å²	4	25.5 Å²	25.5	3%	0.028	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	136.8	-171.2	-62.6	0	0	0	0	112.3	Y527 F529 Y566 H569	Y527-S571 CarbonylContact O-C 3.57Å; Y527-S571 VanDerWaalsContact O-CA 3.24Å; Y527-S571 WeakPolarHBondContact O-CA 3.17Å; F529-S571 WeakPolarHBondContact CE2-OG 3.48Å; Y566-S571 PolarHBondContact N-O 2.87Å; Y566-S571 PolarHBondContact O-N 2.61Å; Y566-S571 VanDerWaalsContact O-N 3.13Å; H569-S571 VanDerWaalsContact C-N 3.27Å; H569-S571 PolarHBondContact O-N 2.84Å; H569-S571 PolarHBondContact O-OG 3.19Å
572	V	94.8	Very high	91.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	124.1	167.4	-179.9	0	0	0	0	107.8	Y527 V528 F529 P541 V545 V563 L565 I574	Y527-V572 PolarHBondContact O-N 2.96Å; V528-V572 WeakPolarHBondContact CA-O 3.48Å; V528-V572 HydrophobicContact CG2-CB 4.41Å; F529-V572 PolarHBondContact N-O 2.92Å; P541-V572 HydrophobicContact CB-CG2 3.93Å; V545-V572 HydrophobicContact CG2-CG1 3.94Å; V545-V572 HydrophobicContact CG2-CG2 4.25Å; V563-V572 HydrophobicContact CG1-CG1 3.95Å; L565-V572 HydrophobicContact CD1-CG2 3.8Å; V572-I574 HydrophobicContact CG1-CG1 4.24Å
573	Y	94.2	Very high	91.8	Very high	31 Å²	31	25.3 Å²	25.3	12%	0.122	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	124.1	178.4	-68.2	-81.8	0	0	0	109.9	F529 V563 F564 H569	F529-Y573 HydrophobicContact CB-CD1 3.71Å; F529-Y573 HydrophobicContact CB-CE1 4.1Å; F529-Y573 HydrophobicContact CD1-CE1 4.47Å; F529-Y573 AromaticContact CD2-CD1 3.94Å; F529-Y573 HydrophobicContact CD2-CD1 3.94Å; F529-Y573 AromaticContact CD2-CE1 3.59Å; F529-Y573 HydrophobicContact CD2-CE1 3.59Å; F529-Y573 HydrophobicContact CE2-CE1 4.07Å; F529-Y573 AromaticContact CG-CD1 3.96Å; F529-Y573 HydrophobicContact CG-CD1 3.96Å; F529-Y573 AromaticContact CG-CE1 3.81Å; F529-Y573 HydrophobicContact CG-CE1 3.81Å; V563-Y573 WeakPolarHBondContact CA-O 3.5Å; F564-Y573 HydrophobicContact CD2-CD2 4.2Å; F564-Y573 HydrophobicContact CE1-CD2 4.17Å; F564-Y573 AromaticContact CE1-CG 3.92Å; F564-Y573 HydrophobicContact CE1-CG 3.92Å; F564-Y573 AromaticContact CE2-CD2 3.4Å; F564-Y573 HydrophobicContact CE2-CD2 3.4Å; F564-Y573 HydrophobicContact CE2-CE2 4.16Å; F564-Y573 HydrophobicContact CE2-CG 4.01Å; F564-Y573 HydrophobicContact CZ-CD1 4.49Å; F564-Y573 AromaticContact CZ-CD2 3.38Å; F564-Y573 HydrophobicContact CZ-CD2 3.38Å; F564-Y573 HydrophobicContact CZ-CE2 4.26Å; F564-Y573 AromaticContact CZ-CG 3.51Å; F564-Y573 HydrophobicContact CZ-CG 3.51Å; F564-Y573 PolarHBondContact N-O 3.04Å; F564-Y573 PolarHBondContact O-N 2.81Å; H569-Y573 PolarHBondContact ND1-OH 3.05Å
574	I	94.4	Very high	91.8	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.015	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	125.5	176.6	-57.8	170.5	0	0	0	107.6	L500 L504 V528 F529 V530 N531 V561 S562 V563 V572	L500-I574 HydrophobicContact CD2-CG2 3.6Å; L500-I574 HydrophobicContact CG-CG2 4.41Å; L504-I574 HydrophobicContact CD1-CD1 3.65Å; L504-I574 HydrophobicContact CD2-CD1 3.49Å; L504-I574 VanDerWaalsContact CD2-CD1 3.49Å; L504-I574 HydrophobicContact CG-CD1 4.19Å; V528-I574 HydrophobicContact CG1-CD1 3.91Å; F529-I574 WeakPolarHBondContact O-CB 3.07Å; F529-I574 PolarHBondContact O-N 3.13Å; V530-I574 CarbonylContact C-O 3.59Å; V530-I574 VanDerWaalsContact CA-O 3.31Å; V530-I574 WeakPolarHBondContact CA-O 3.28Å; V530-I574 HydrophobicContact CG2-CB 4.21Å; N531-I574 PolarHBondContact N-O 3.24Å; V561-I574 HydrophobicContact CG1-CG2 3.7Å; S562-I574 WeakPolarHBondContact O-CA 3.3Å; V563-I574 HydrophobicContact CG1-CG1 3.93Å; V563-I574 HydrophobicContact CG2-CG1 4.28Å; V563-I574 HydrophobicContact CG2-CG2 4.42Å; V572-I574 HydrophobicContact CG1-CG1 4.24Å
575	A	92.8	Very high	91.9	Very high	11 Å²	11	24.5 Å²	24.5	9%	0.091	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	122.7	179.8	0	0	0	0	0	111.2	N531 V561 S562 R580	N531-A575 WeakPolarHBondContact OD1-CA 3.48Å; V561-A575 WeakPolarHBondContact CA-O 3.21Å; S562-A575 PolarHBondContact N-O 3.39Å; S562-A575 VanDerWaalsContact N-O 3.08Å; S562-A575 PolarHBondContact O-N 3.22Å; S562-A575 WeakPolarHBondContact OG-CB 3.29Å; A575-R580 PolarHBondContact O-NH2 2.92Å
576	S	91.3	Very high	92	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.007	12%	0.117	C	C	.	.			trans	-116.4	7.5	170.6	77.5	0	0	0	0	112.1	S495 N531	S495-S576 PolarHBondContact N-O 2.81Å; N531-S576 PolarHBondContact ND2-OG 3.15Å; N531-S576 PolarHBondContact OD1-N 2.69Å
577	D	89	Confident	92.2	Very high	31 Å²	31	20.4 Å²	20.4	17%	0.166	10%	0.104	C	C	.	.			trans	-72.4	151.3	177.7	69.8	-25.6	0	0	0	112.5	R354 T492 N531 R580	R354-D577 IonicContact CZ-OD1 3.61Å; R354-D577 IonicContact CZ-OD2 3.77Å; R354-D577 IonicContact NE-OD1 3.08Å; R354-D577 IonicContact NE-OD2 3.36Å; R354-D577 PolarHBondContact NE-OD2 3.43Å; R354-D577 IonicContact NH2-OD1 2.81Å; R354-D577 PolarHBondContact NH2-OD1 3.17Å; R354-D577 IonicContact NH2-OD2 3.03Å; R354-D577 PolarHBondContact NH2-OD2 3.34Å; R354-D577 VanDerWaalsContact NH2-OD2 3.12Å; T492-D577 PolarHBondContact OG1-O 2.79Å; T492-D577 VanDerWaalsContact OG1-O 3.13Å; N531-D577 PolarHBondContact OD1-N 3.23Å; D577-R580 PolarHBondContact O-NE 3.4Å; D577-R580 PolarHBondContact O-NH2 3.32Å; D577-R580 VanDerWaalsContact OD1-CD 3.23Å; D577-R580 WeakPolarHBondContact OD1-CD 3.1Å; D577-R580 IonicContact OD1-NE 3.66Å; D577-R580 PolarHBondContact OD1-NE 3.44Å
578	G	88.4	Confident	92.5	Very high	16 Å²	16	15.1 Å²	15.1	17%	0.165	8%	0.08	C	C	.	.	S	Bend	trans	-78.1	164.4	176.1	0	0	0	0	0	113.4	T492 D494 R580	T492-G578 WeakPolarHBondContact O-CA 3.3Å; T492-G578 WeakPolarHBondContact OG1-CA 3.42Å; D494-G578 WeakPolarHBondContact OD1-CA 3.32Å; D494-G578 PolarHBondContact OD1-N 2.84Å; G578-R580 VanDerWaalsContact C-N 3.34Å
579	G	90.9	Very high	92.6	Very high	7 Å²	7	13.8 Å²	13.8	7%	0.072	7%	0.071	C	C	.	.	S	Bend	trans	80	11.3	177.7	0	0	0	0	0	114.6	R354 L355 T492	R354-G579 CarbonylContact C-O 3.58Å; R354-G579 WeakPolarHBondContact CA-O 3.34Å; L355-G579 PolarHBondContact N-O 3.42Å; L355-G579 VanDerWaalsContact O-CA 3.32Å; L355-G579 WeakPolarHBondContact O-CA 3.31Å; T492-G579 PolarHBondContact O-N 2.62Å; T492-G579 PolarHBondContact OG1-N 2.89Å
580	R	94.3	Very high	92.5	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.015	11%	0.109	C	C	.	.			trans	-80.3	149.4	170.8	-68.9	-179.8	-72	120.8	9.3	110.2	R354 I491 T492 F560 S562 A575 D577 G578 D623	R354-R580 VanDerWaalsContact CZ-CG 3.43Å; I491-R580 WeakPolarHBondContact CA-O 3.39Å; T492-R580 HydrophobicContact CG2-CB 4.2Å; T492-R580 PolarHBondContact N-O 3.43Å; T492-R580 PolarHBondContact OG1-N 2.99Å; F560-R580 PolarHBondContact O-NH1 3.14Å; F560-R580 PolarHBondContact O-NH2 3.22Å; S562-R580 VanDerWaalsContact CB-NH1 3.34Å; S562-R580 PolarHBondContact OG-NH1 2.93Å; A575-R580 PolarHBondContact O-NH2 2.92Å; D577-R580 PolarHBondContact O-NE 3.4Å; D577-R580 PolarHBondContact O-NH2 3.32Å; D577-R580 VanDerWaalsContact OD1-CD 3.23Å; D577-R580 WeakPolarHBondContact OD1-CD 3.1Å; D577-R580 IonicContact OD1-NE 3.66Å; D577-R580 PolarHBondContact OD1-NE 3.44Å; G578-R580 VanDerWaalsContact C-N 3.34Å; R580-D623 IonicContact NH1-OD2 3.5Å
581	L	94.8	Very high	92.2	Very high	11 Å²	11	19 Å²	19	6%	0.058	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	125.9	170.3	-65.2	-178.6	0	0	0	108.5	Y350 L355 M467 L468 L485 T489 I491 D623 V624	Y350-L581 HydrophobicContact CD1-CD1 3.7Å; Y350-L581 HydrophobicContact CE1-CD1 4.04Å; L355-L581 HydrophobicContact CD1-CD1 4.34Å; L355-L581 HydrophobicContact CD1-CD2 3.38Å; L355-L581 HydrophobicContact CD1-CG 4.05Å; L355-L581 HydrophobicContact CG-CD2 4.33Å; M467-L581 HydrophobicContact CB-CB 4.37Å; M467-L581 HydrophobicContact CB-CD1 3.89Å; M467-L581 HydrophobicContact CG-CB 4.22Å; M467-L581 HydrophobicContact SD-CB 3.81Å; L468-L581 HydrophobicContact CD2-CD1 4.14Å; L468-L581 HydrophobicContact CG-CD1 4.42Å; L485-L581 HydrophobicContact CD2-CD2 3.91Å; T489-L581 HydrophobicContact CG2-CB 4.29Å; T489-L581 HydrophobicContact CG2-CD2 3.71Å; T489-L581 HydrophobicContact CG2-CG 4.46Å; I491-L581 HydrophobicContact CD1-CD2 4.3Å; I491-L581 HydrophobicContact CG1-CD2 3.82Å; L581-D623 WeakPolarHBondContact O-CA 3.15Å; L581-V624 HydrophobicContact CB-CG2 4.46Å
582	C	94.4	Very high	92.1	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.014	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	151.4	176.3	-66.2	0	0	0	0	110.6	H490 T492 Y621 L622	H490-C582 PolarHBondContact N-O 3.31Å; H490-C582 PolarHBondContact O-N 2.72Å; T492-C582 WeakPolarHBondContact CG2-SG 3.41Å; C582-Y621 HydrophobicContact CB-CD1 4.43Å; C582-L622 CarbonylContact C-O 3.54Å; C582-L622 WeakPolarHBondContact CA-O 3.22Å
583	R	95.1	Very high	91.9	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.008	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	134.5	177.6	179.9	173	175.6	84	13.7	109.9	G466 M467 Y585 Y621 L622 E647 T652	G466-R583 PolarHBondContact O-NH1 3.31Å; M467-R583 HydrophobicContact CE-CB 3.64Å; M467-R583 HydrophobicContact SD-CB 3.85Å; R583-Y585 HydrophobicContact CB-CE2 3.87Å; R583-Y585 WeakPolarHBondContact CD-OH 3.46Å; R583-Y585 HydrophobicContact CG-CD2 4.45Å; R583-Y585 HydrophobicContact CG-CE2 3.83Å; R583-Y585 VanDerWaalsContact O-CD2 3.3Å; R583-Y585 WeakPolarHBondContact O-CD2 3.49Å; R583-Y621 WeakPolarHBondContact O-CA 3.46Å; R583-L622 PolarHBondContact N-O 3.04Å; R583-L622 PolarHBondContact O-N 3.1Å; R583-E647 IonicContact CZ-OE1 2.84Å; R583-E647 IonicContact NE-OE1 2.7Å; R583-E647 PolarHBondContact NE-OE1 3.2Å; R583-E647 IonicContact NE-OE2 2.92Å; R583-E647 IonicContact NH2-OE1 3.63Å; R583-E647 PolarHBondContact NH2-OE1 3.27Å; R583-E647 IonicContact NH2-OE2 3.84Å; R583-T652 PolarHBondContact NH1-OG1 3.46Å; R583-T652 PolarHBondContact NH2-OG1 3.19Å
584	P	95	Very high	91.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	139.9	178.2	31.3	-33.9	0	0	0	111.5	F40 M488 F610 E620 Y621 I648	F40-P584 HydrophobicContact CD2-CG 4.23Å; F40-P584 HydrophobicContact CE2-CG 4.22Å; M488-P584 HydrophobicContact CE-CG 3.54Å; M488-P584 WeakPolarHBondContact O-CD 3.4Å; P584-F610 HydrophobicContact CB-CE1 4.48Å; P584-F610 HydrophobicContact CB-CZ 3.77Å; P584-F610 HydrophobicContact CG-CZ 3.98Å; P584-E620 WeakPolarHBondContact CA-O 3.27Å; P584-Y621 HydrophobicContact CB-CD1 3.9Å; P584-Y621 HydrophobicContact CB-CE1 3.79Å; P584-Y621 HydrophobicContact CG-CD1 4.4Å; P584-Y621 HydrophobicContact CG-CE1 4.05Å; P584-I648 HydrophobicContact CB-CD1 4.14Å; P584-I648 HydrophobicContact CG-CD1 4.11Å; P584-I648 WeakPolarHBondContact O-CD1 3.4Å
585	Y	95.5	Very high	91.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	158.1	175.1	-68	-86.5	0	0	0	110.8	R583 L619 E620 L622 E627 I632 E647	R583-Y585 HydrophobicContact CB-CE2 3.87Å; R583-Y585 WeakPolarHBondContact CD-OH 3.46Å; R583-Y585 HydrophobicContact CG-CD2 4.45Å; R583-Y585 HydrophobicContact CG-CE2 3.83Å; R583-Y585 VanDerWaalsContact O-CD2 3.3Å; R583-Y585 WeakPolarHBondContact O-CD2 3.49Å; Y585-L619 WeakPolarHBondContact O-CA 3.44Å; Y585-E620 PolarHBondContact N-O 3.05Å; Y585-E620 PolarHBondContact O-N 2.99Å; Y585-L622 HydrophobicContact CD2-CB 3.89Å; Y585-L622 HydrophobicContact CD2-CD1 3.58Å; Y585-L622 HydrophobicContact CD2-CG 3.69Å; Y585-L622 HydrophobicContact CE2-CB 3.96Å; Y585-L622 HydrophobicContact CE2-CD1 3.96Å; Y585-L622 HydrophobicContact CE2-CG 4.21Å; Y585-L622 HydrophobicContact CG-CD1 4.19Å; Y585-E627 HydrophobicContact CE2-CG 4.4Å; Y585-E627 VanDerWaalsContact CE2-OE1 3.25Å; Y585-E627 WeakPolarHBondContact CE2-OE1 3.25Å; Y585-E627 PolarHBondContact OH-OE1 2.84Å; Y585-I632 HydrophobicContact CD1-CD1 4.32Å; Y585-I632 HydrophobicContact CD1-CG2 3.83Å; Y585-I632 HydrophobicContact CE1-CD1 3.82Å; Y585-I632 HydrophobicContact CE1-CG2 3.74Å; Y585-I632 HydrophobicContact CE2-CD1 4.19Å; Y585-E647 WeakPolarHBondContact CE1-OE2 3.37Å
586	I	95.5	Very high	91.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	130.8	173.7	-63.8	161	0	0	0	108.6	L36 P593 L595 L619 H645 L646 I648	L36-I586 HydrophobicContact CD1-CD1 4.27Å; L36-I586 HydrophobicContact CD1-CG1 4.44Å; I586-P593 HydrophobicContact CG2-CB 4.14Å; I586-L595 HydrophobicContact CD1-CD2 3.94Å; I586-L595 HydrophobicContact CG1-CD2 4.15Å; I586-L595 HydrophobicContact CG2-CB 3.81Å; I586-L619 HydrophobicContact CB-CD2 4.21Å; I586-L619 HydrophobicContact CG1-CD2 3.53Å; I586-H645 CarbonylContact O-C 3.59Å; I586-H645 VanDerWaalsContact O-CA 3.29Å; I586-H645 WeakPolarHBondContact O-CA 3.49Å; I586-L646 HydrophobicContact CB-CB 4.12Å; I586-L646 HydrophobicContact CD1-CD2 4.21Å; I586-L646 PolarHBondContact N-O 2.94Å; I586-L646 PolarHBondContact O-N 2.73Å; I586-I648 HydrophobicContact CD1-CG1 4.14Å; I586-I648 HydrophobicContact CG1-CG1 3.95Å
587	L	94.7	Very high	91.4	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.021	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	136.5	177.9	-175	61.8	0	0	0	110.9	R553 E589 K594 L618 E620	R553-L587 VanDerWaalsContact NH2-CD1 3.34Å; L587-E589 HydrophobicContact CD2-CG 4.48Å; L587-E589 HydrophobicContact CG-CG 4.42Å; L587-K594 HydrophobicContact CD2-CD 3.71Å; L587-K594 HydrophobicContact CG-CD 4.2Å; L587-K594 PolarHBondContact O-N 3.39Å; L587-L618 PolarHBondContact N-O 3.17Å; L587-L618 VanDerWaalsContact N-O 3.09Å; L587-E620 WeakPolarHBondContact CD1-OE1 3.12Å
588	I	93.4	Very high	91.6	Very high	11 Å²	11	36.2 Å²	36.2	6%	0.056	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131.9	171.5	-62.9	173	0	0	0	108.6	L592 I639 T643 T644 H645 L646	I588-L592 WeakPolarHBondContact CA-O 3.38Å; I588-I639 HydrophobicContact CD1-CD1 4.13Å; I588-I639 HydrophobicContact CD1-CG1 4.07Å; I588-I639 HydrophobicContact CD1-CG2 4.36Å; I588-T643 WeakPolarHBondContact CG2-O 3.27Å; I588-T644 PolarHBondContact N-O 3.41Å; I588-H645 VanDerWaalsContact CD1-C 3.46Å; I588-H645 WeakPolarHBondContact CD1-O 3.35Å; I588-L646 HydrophobicContact CD1-CB 3.99Å; I588-L646 HydrophobicContact CG1-CB 4.18Å
589	E	87.5	Confident	91.8	Very high	76 Å²	76	36.5 Å²	36.5	36%	0.355	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.2	170.4	-72	-175.5	179.9	0	0	109.5	L587 G591 L592 K594	L587-E589 HydrophobicContact CD2-CG 4.48Å; L587-E589 HydrophobicContact CG-CG 4.42Å; E589-G591 PolarHBondContact O-N 3.41Å; E589-L592 PolarHBondContact N-O 3.44Å; E589-L592 PolarHBondContact O-N 3.04Å; E589-L592 VanDerWaalsContact O-O 3.08Å; E589-K594 HydrophobicContact CG-CD 4.07Å; E589-K594 HydrophobicContact CG-CG 4.4Å; E589-K594 VanDerWaalsContact OE1-CE 3.29Å; E589-K594 WeakPolarHBondContact OE1-CE 3.49Å; E589-K594 IonicContact OE1-NZ 2.79Å; E589-K594 PolarHBondContact OE1-NZ 2.86Å; E589-K594 WeakPolarHBondContact OE2-CE 3.48Å; E589-K594 IonicContact OE2-NZ 3.06Å; E589-K594 PolarHBondContact OE2-NZ 3.25Å
590	N	84.7	Confident	91.8	Very high	166 Å²	166	36.3 Å²	36.3	89%	0.888	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	36.2	179.5	-54.8	-45.8	0	0	0	114.1	L592	N590-L592 VanDerWaalsContact C-N 3.28Å; N590-L592 PolarHBondContact O-N 2.92Å
591	G	83.9	Confident	91.6	Very high	20 Å²	20	40.3 Å²	40.3	21%	0.206	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	9.6	179.9	0	0	0	0	0	115	E589 I639	E589-G591 PolarHBondContact O-N 3.41Å; G591-I639 VanDerWaalsContact O-CG2 3.31Å; G591-I639 WeakPolarHBondContact O-CG2 3.28Å
592	L	89.1	Confident	91.5	Very high	95 Å²	95	42.7 Å²	42.7	50%	0.497	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	138.3	174.9	-66.1	173	0	0	0	110.5	I588 E589 N590 K594	I588-L592 WeakPolarHBondContact CA-O 3.38Å; E589-L592 PolarHBondContact N-O 3.44Å; E589-L592 PolarHBondContact O-N 3.04Å; E589-L592 VanDerWaalsContact O-O 3.08Å; N590-L592 VanDerWaalsContact C-N 3.28Å; N590-L592 PolarHBondContact O-N 2.92Å; L592-K594 PolarHBondContact O-N 3.33Å
593	P	91.5	Very high	91.3	Very high	23 Å²	23	42.9 Å²	42.9	15%	0.149	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	132.2	169.6	-20.4	32.1	0	0	0	110.4	L30 I586 L595 I639 L646	L30-P593 HydrophobicContact CD1-CB 4.32Å; I586-P593 HydrophobicContact CG2-CB 4.14Å; P593-L595 PolarHBondContact O-N 2.84Å; P593-I639 HydrophobicContact CG-CD1 3.92Å; P593-L646 HydrophobicContact CG-CD2 4.12Å
594	K	90.9	Very high	91	Very high	71 Å²	71	45.9 Å²	45.9	31%	0.309	24%	0.243	S	C	.	.	S	Bend	trans	-64.8	-29.2	173.1	-107.7	179.7	150.5	170.6	0	112.6	L587 E589 L592 E596 L618	L587-K594 HydrophobicContact CD2-CD 3.71Å; L587-K594 HydrophobicContact CG-CD 4.2Å; L587-K594 PolarHBondContact O-N 3.39Å; E589-K594 HydrophobicContact CG-CD 4.07Å; E589-K594 HydrophobicContact CG-CG 4.4Å; E589-K594 VanDerWaalsContact OE1-CE 3.29Å; E589-K594 WeakPolarHBondContact OE1-CE 3.49Å; E589-K594 IonicContact OE1-NZ 2.79Å; E589-K594 PolarHBondContact OE1-NZ 2.86Å; E589-K594 WeakPolarHBondContact OE2-CE 3.48Å; E589-K594 IonicContact OE2-NZ 3.06Å; E589-K594 PolarHBondContact OE2-NZ 3.25Å; L592-K594 PolarHBondContact O-N 3.33Å; K594-E596 PolarHBondContact O-N 2.78Å; K594-L618 HydrophobicContact CB-CD2 4.26Å
595	L	91.3	Very high	90.8	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	27%	0.266	C	S	.	.			trans	-74.6	105.2	175.3	-173.6	73.9	0	0	0	110.4	L30 L36 I586 P593 H599 L600 L618	L30-L595 HydrophobicContact CD1-CD2 4.4Å; L30-L595 WeakPolarHBondContact CD1-O 3.26Å; L30-L595 VanDerWaalsContact CD2-O 3.29Å; L30-L595 WeakPolarHBondContact CD2-O 3.38Å; L36-L595 HydrophobicContact CD1-CD2 3.79Å; I586-L595 HydrophobicContact CD1-CD2 3.94Å; I586-L595 HydrophobicContact CG1-CD2 4.15Å; I586-L595 HydrophobicContact CG2-CB 3.81Å; P593-L595 PolarHBondContact O-N 2.84Å; L595-H599 HydrophobicContact CD1-CB 3.73Å; L595-L600 HydrophobicContact CD2-CD2 4.01Å; L595-L600 HydrophobicContact CD2-CG 4.37Å; L595-L618 HydrophobicContact CD1-CB 4.41Å; L595-L618 HydrophobicContact CD1-CD1 4.08Å
596	E	90.7	Very high	90.5	Very high	114 Å²	114	52.2 Å²	52.2	53%	0.533	30%	0.297	S	S	.	.			trans	-85.8	164.9	171	-59.9	-175.1	-179.9	0	0	114.1	K594 H598 H599	K594-E596 PolarHBondContact O-N 2.78Å; E596-H598 VanDerWaalsContact C-N 3.31Å; E596-H598 WeakPolarHBondContact CB-ND1 3.45Å; E596-H598 PolarHBondContact O-N 2.86Å; E596-H598 IonicContact OE2-CE1 3.55Å; E596-H598 PolarHBondContact OE2-CE1 3.2Å; E596-H598 IonicContact OE2-ND1 3.79Å; E596-H598 PolarHBondContact OE2-ND1 3.1Å; E596-H599 PolarHBondContact N-ND1 3.23Å; E596-H599 VanDerWaalsContact N-ND1 3.11Å; E596-H599 WeakPolarHBondContact O-CB 3.39Å; E596-H599 PolarHBondContact O-N 3.18Å; E596-H599 PolarHBondContact O-ND1 3.49Å
597	Q	89.8	Confident	90.2	Very high	57 Å²	57	60.3 Å²	60.3	27%	0.266	33%	0.332	S	S	.	.	H	α-helix	trans	-59	-37.5	-179.6	-172	62.7	43	0	0	113.4	Q31 H599 L600 D601	Q31-Q597 PolarHBondContact O-NE2 3.09Å; Q31-Q597 PolarHBondContact O-OE1 3.14Å; Q597-H599 PolarHBondContact O-N 3.26Å; Q597-L600 WeakPolarHBondContact O-CB 3.36Å; Q597-L600 PolarHBondContact O-N 3.49Å; Q597-D601 PolarHBondContact NE2-OD1 3.24Å; Q597-D601 PolarHBondContact O-N 3.2Å
598	H	91.8	Very high	90	Very high	80 Å²	80	61.8 Å²	61.8	37%	0.37	34%	0.337	S	S	.	.	H	α-helix	trans	-63.2	-30.4	-178	75.4	-93.6	0	0	0	112.3	E596 L600 D601 E602	E596-H598 VanDerWaalsContact C-N 3.31Å; E596-H598 WeakPolarHBondContact CB-ND1 3.45Å; E596-H598 PolarHBondContact O-N 2.86Å; E596-H598 IonicContact OE2-CE1 3.55Å; E596-H598 PolarHBondContact OE2-CE1 3.2Å; E596-H598 IonicContact OE2-ND1 3.79Å; E596-H598 PolarHBondContact OE2-ND1 3.1Å; H598-L600 VanDerWaalsContact C-N 3.34Å; H598-D601 PolarHBondContact O-N 3.24Å; H598-E602 WeakPolarHBondContact O-CG 3.49Å; H598-E602 PolarHBondContact O-N 3.33Å
599	H	92.4	Very high	89.9	Confident	22 Å²	22	64 Å²	64	10%	0.102	35%	0.351	C	S	.	.	H	α-helix	trans	-67.1	-36.2	173.8	-56.2	125.3	0	0	0	112	L595 E596 Q597 E602 L603	L595-H599 HydrophobicContact CD1-CB 3.73Å; E596-H599 PolarHBondContact N-ND1 3.23Å; E596-H599 VanDerWaalsContact N-ND1 3.11Å; E596-H599 WeakPolarHBondContact O-CB 3.39Å; E596-H599 PolarHBondContact O-N 3.18Å; E596-H599 PolarHBondContact O-ND1 3.49Å; Q597-H599 PolarHBondContact O-N 3.26Å; H599-E602 PolarHBondContact O-N 3.36Å; H599-L603 WeakPolarHBondContact O-CB 3.34Å; H599-L603 PolarHBondContact O-N 2.98Å
600	L	90.6	Very high	90.1	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.01	33%	0.334	C	S	.	.	H	α-helix	trans	-68.3	-38.8	175.3	-66.3	174.1	0	0	0	110.8	L30 Q31 L36 L595 Q597 H598 L603 A604	L30-L600 HydrophobicContact CB-CD1 4.08Å; L30-L600 HydrophobicContact CD2-CD1 4.42Å; Q31-L600 WeakPolarHBondContact O-CD1 3.43Å; L36-L600 HydrophobicContact CG-CD2 4.23Å; L595-L600 HydrophobicContact CD2-CD2 4.01Å; L595-L600 HydrophobicContact CD2-CG 4.37Å; Q597-L600 WeakPolarHBondContact O-CB 3.36Å; Q597-L600 PolarHBondContact O-N 3.49Å; H598-L600 VanDerWaalsContact C-N 3.34Å; L600-L603 PolarHBondContact O-N 3.27Å; L600-A604 WeakPolarHBondContact O-CB 3.38Å; L600-A604 PolarHBondContact O-N 3.47Å
601	D	92	Very high	90.3	Very high	89 Å²	89	55.1 Å²	55.1	48%	0.476	31%	0.306	S	S	.	.	H	α-helix	trans	-65.2	-39.6	174.7	-58.3	-22.1	0	0	0	111.3	Q597 H598 A604 S605	Q597-D601 PolarHBondContact NE2-OD1 3.24Å; Q597-D601 PolarHBondContact O-N 3.2Å; H598-D601 PolarHBondContact O-N 3.24Å; D601-A604 PolarHBondContact O-N 3.21Å; D601-S605 WeakPolarHBondContact O-CB 3.2Å; D601-S605 PolarHBondContact O-N 3.26Å; D601-S605 PolarHBondContact O-OG 3.19Å
602	E	92.2	Very high	90.7	Very high	60 Å²	60	57.1 Å²	57.1	28%	0.28	31%	0.312	S	S	.	.	H	α-helix	trans	-62	-43	172.8	-77.2	-180	174.8	0	0	112.1	H598 H599 S605 G606 K607 R608	H598-E602 WeakPolarHBondContact O-CG 3.49Å; H598-E602 PolarHBondContact O-N 3.33Å; H599-E602 PolarHBondContact O-N 3.36Å; E602-S605 WeakPolarHBondContact CA-OG 3.33Å; E602-S605 CarbonylContact O-C 3.47Å; E602-S605 PolarHBondContact O-N 3.24Å; E602-S605 PolarHBondContact O-OG 2.98Å; E602-G606 PolarHBondContact O-N 3.42Å; E602-G606 VanDerWaalsContact O-N 3.09Å; E602-K607 HydrophobicContact CB-CB 4.44Å; E602-K607 PolarHBondContact O-N 2.8Å; E602-R608 HydrophobicContact CB-CB 4.02Å; E602-R608 IonicContact OE2-CZ 3.02Å; E602-R608 IonicContact OE2-NE 2.74Å; E602-R608 PolarHBondContact OE2-NE 3Å; E602-R608 IonicContact OE2-NH2 3.25Å; E602-R608 PolarHBondContact OE2-NH2 3.02Å; E602-R608 VanDerWaalsContact OE2-NH2 3.12Å
603	L	89.8	Confident	90.8	Very high	7 Å²	7	52.6 Å²	52.6	4%	0.037	29%	0.289	C	S	.	.	H	α-helix	trans	-65.1	-42.3	176.9	-175.8	145.7	0	0	0	111.4	L35 L36 E39 H599 L600 S605 G606	L35-L603 HydrophobicContact CB-CD2 3.83Å; L36-L603 HydrophobicContact CD2-CD1 3.62Å; E39-L603 HydrophobicContact CG-CD1 4.17Å; E39-L603 HydrophobicContact CG-CD2 3.58Å; E39-L603 HydrophobicContact CG-CG 3.89Å; H599-L603 WeakPolarHBondContact O-CB 3.34Å; H599-L603 PolarHBondContact O-N 2.98Å; L600-L603 PolarHBondContact O-N 3.27Å; L603-S605 VanDerWaalsContact C-N 3.29Å; L603-S605 PolarHBondContact O-N 3.23Å; L603-G606 PolarHBondContact O-N 3.37Å; L603-G606 VanDerWaalsContact O-N 3.1Å
604	A	88.9	Confident	90.8	Very high	65 Å²	65	52.1 Å²	52.1	54%	0.537	29%	0.285	S	S	.	.	H	α-helix	trans	-62.4	-36.5	173.6	0	0	0	0	0	112.2	L35 L600 D601 G606	L35-A604 HydrophobicContact CD1-CB 4.04Å; L600-A604 WeakPolarHBondContact O-CB 3.38Å; L600-A604 PolarHBondContact O-N 3.47Å; D601-A604 PolarHBondContact O-N 3.21Å; A604-G606 VanDerWaalsContact C-N 3.26Å; A604-G606 PolarHBondContact O-N 2.97Å
605	S	91.1	Very high	90.8	Very high	70 Å²	70	52.4 Å²	52.4	49%	0.49	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-7.9	176	75.7	0	0	0	0	114.4	D601 E602 L603 K607	D601-S605 WeakPolarHBondContact O-CB 3.2Å; D601-S605 PolarHBondContact O-N 3.26Å; D601-S605 PolarHBondContact O-OG 3.19Å; E602-S605 WeakPolarHBondContact CA-OG 3.33Å; E602-S605 CarbonylContact O-C 3.47Å; E602-S605 PolarHBondContact O-N 3.24Å; E602-S605 PolarHBondContact O-OG 2.98Å; L603-S605 VanDerWaalsContact C-N 3.29Å; L603-S605 PolarHBondContact O-N 3.23Å; S605-K607 VanDerWaalsContact C-N 3.3Å; S605-K607 PolarHBondContact O-N 2.7Å; S605-K607 WeakPolarHBondContact OG-CD 3.39Å; S605-K607 WeakPolarHBondContact OG-CG 3.1Å
606	G	88	Confident	90.8	Very high	62 Å²	62	56.5 Å²	56.5	64%	0.639	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	13.3	-177.5	0	0	0	0	0	114.8	E602 L603 A604	E602-G606 PolarHBondContact O-N 3.42Å; E602-G606 VanDerWaalsContact O-N 3.09Å; L603-G606 PolarHBondContact O-N 3.37Å; L603-G606 VanDerWaalsContact O-N 3.1Å; A604-G606 VanDerWaalsContact C-N 3.26Å; A604-G606 PolarHBondContact O-N 2.97Å
607	K	91	Very high	90.7	Very high	170 Å²	170	51.2 Å²	51.2	74%	0.739	29%	0.291	S	S	*	.	S	Bend	trans	-76.4	-27.9	176.1	-71.8	177	-176.2	176.3	0	112.8	E602 S605	E602-K607 HydrophobicContact CB-CB 4.44Å; E602-K607 PolarHBondContact O-N 2.8Å; S605-K607 VanDerWaalsContact C-N 3.3Å; S605-K607 PolarHBondContact O-N 2.7Å; S605-K607 WeakPolarHBondContact OG-CD 3.39Å; S605-K607 WeakPolarHBondContact OG-CG 3.1Å
608	R	89.4	Confident	90.9	Very high	36 Å²	36	49.1 Å²	49.1	14%	0.136	28%	0.281	C	S	.	.	S	Bend	trans	-125.1	136.3	-178.1	-175.5	-177.7	-72.9	-101.8	-2.8	109	E602 D612 C613 D616	E602-R608 HydrophobicContact CB-CB 4.02Å; E602-R608 IonicContact OE2-CZ 3.02Å; E602-R608 IonicContact OE2-NE 2.74Å; E602-R608 PolarHBondContact OE2-NE 3Å; E602-R608 IonicContact OE2-NH2 3.25Å; E602-R608 PolarHBondContact OE2-NH2 3.02Å; E602-R608 VanDerWaalsContact OE2-NH2 3.12Å; R608-D612 HydrophobicContact CG-CB 3.91Å; R608-C613 VanDerWaalsContact CD-SG 3.57Å; R608-D616 IonicContact CZ-OD2 2.93Å; R608-D616 IonicContact NH1-OD2 2.86Å; R608-D616 PolarHBondContact NH1-OD2 2.86Å; R608-D616 IonicContact NH2-OD2 3.13Å
609	T	91	Very high	91	Very high	56 Å²	56	45.4 Å²	45.4	34%	0.344	26%	0.264	S	S	.	.			trans	-100.4	168.8	176	70.6	0	0	0	0	111.3	N611 D612 C613	T609-N611 VanDerWaalsContact C-N 3.28Å; T609-N611 PolarHBondContact O-N 2.65Å; T609-D612 WeakPolarHBondContact CB-OD2 3.43Å; T609-D612 PolarHBondContact N-OD2 2.84Å; T609-D612 PolarHBondContact O-N 2.84Å; T609-D612 PolarHBondContact OG1-N 3.07Å; T609-D612 PolarHBondContact OG1-OD1 3.23Å; T609-D612 PolarHBondContact OG1-OD2 3Å; T609-C613 PolarHBondContact O-N 3.04Å; T609-C613 PolarHBondContact O-SG 2.61Å; T609-C613 VanDerWaalsContact O-SG 3.33Å
610	F	91.2	Very high	91.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.8	-40.6	174.6	-171.4	-85.2	0	0	0	112.2	L36 E39 F40 V43 P584 D612 C613 V614 L619 Y621	L36-F610 HydrophobicContact CD2-CD2 4.32Å; L36-F610 HydrophobicContact CD2-CE2 4.48Å; E39-F610 HydrophobicContact CB-CB 4.16Å; F40-F610 HydrophobicContact CB-CD2 3.93Å; F40-F610 HydrophobicContact CB-CE2 3.86Å; F40-F610 HydrophobicContact CB-CG 4.4Å; F40-F610 HydrophobicContact CB-CZ 4.28Å; F40-F610 HydrophobicContact CD2-CD1 4.35Å; F40-F610 AromaticContact CD2-CE1 3.87Å; F40-F610 HydrophobicContact CD2-CE1 3.87Å; F40-F610 HydrophobicContact CD2-CE2 4.25Å; F40-F610 AromaticContact CD2-CZ 3.8Å; F40-F610 HydrophobicContact CD2-CZ 3.8Å; F40-F610 HydrophobicContact CG-CZ 4.47Å; V43-F610 HydrophobicContact CG2-CB 4.33Å; P584-F610 HydrophobicContact CB-CE1 4.48Å; P584-F610 HydrophobicContact CB-CZ 3.77Å; P584-F610 HydrophobicContact CG-CZ 3.98Å; F610-D612 VanDerWaalsContact C-N 3.32Å; F610-D612 PolarHBondContact O-N 3.06Å; F610-C613 WeakPolarHBondContact O-CB 3.26Å; F610-C613 PolarHBondContact O-N 3.01Å; F610-V614 HydrophobicContact CD1-CG2 4.14Å; F610-V614 HydrophobicContact CE1-CG2 3.82Å; F610-V614 PolarHBondContact O-N 3.07Å; F610-L619 HydrophobicContact CD2-CD1 4.05Å; F610-L619 HydrophobicContact CE1-CD1 4.25Å; F610-L619 HydrophobicContact CE2-CD1 3.52Å; F610-L619 HydrophobicContact CZ-CD1 3.63Å; F610-Y621 WeakPolarHBondContact CE1-OH 3.34Å
611	N	90.7	Very high	91.3	Very high	57 Å²	57	44.8 Å²	44.8	31%	0.305	26%	0.261	S	S	.	.	H	α-helix	trans	-65.7	-37.2	179.1	-73.4	-10.1	0	0	0	111.5	V43 T609 C613 V614 T615	V43-N611 WeakPolarHBondContact CG1-OD1 3.39Å; T609-N611 VanDerWaalsContact C-N 3.28Å; T609-N611 PolarHBondContact O-N 2.65Å; N611-C613 PolarHBondContact O-N 3.13Å; N611-V614 WeakPolarHBondContact O-CA 3.4Å; N611-V614 WeakPolarHBondContact O-CB 3.16Å; N611-V614 PolarHBondContact O-N 2.99Å; N611-T615 PolarHBondContact O-N 2.84Å; N611-T615 PolarHBondContact O-OG1 2.87Å
612	D	91.7	Very high	91.5	Very high	61 Å²	61	40.5 Å²	40.5	33%	0.326	24%	0.238	S	C	.	.	H	α-helix	trans	-61.9	-34.3	175.8	-53.5	-34.3	0	0	0	111.1	R608 T609 F610 V614 T615 D616	R608-D612 HydrophobicContact CG-CB 3.91Å; T609-D612 WeakPolarHBondContact CB-OD2 3.43Å; T609-D612 PolarHBondContact N-OD2 2.84Å; T609-D612 PolarHBondContact O-N 2.84Å; T609-D612 PolarHBondContact OG1-N 3.07Å; T609-D612 PolarHBondContact OG1-OD1 3.23Å; T609-D612 PolarHBondContact OG1-OD2 3Å; F610-D612 VanDerWaalsContact C-N 3.32Å; F610-D612 PolarHBondContact O-N 3.06Å; D612-V614 VanDerWaalsContact C-N 3.29Å; D612-V614 PolarHBondContact O-N 3.2Å; D612-T615 VanDerWaalsContact CA-OG1 3.29Å; D612-T615 WeakPolarHBondContact CA-OG1 3.26Å; D612-T615 PolarHBondContact O-N 3.36Å; D612-T615 PolarHBondContact O-OG1 2.64Å; D612-D616 VanDerWaalsContact O-CB 3.26Å; D612-D616 WeakPolarHBondContact O-CB 3.37Å; D612-D616 PolarHBondContact O-N 2.92Å
613	C	91.5	Very high	91.6	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.007	23%	0.226	C	C	.	.	H	α-helix	trans	-68.2	-28.9	174.6	-57.8	0	0	0	0	112.8	R608 T609 F610 N611 L618 L619	R608-C613 VanDerWaalsContact CD-SG 3.57Å; T609-C613 PolarHBondContact O-N 3.04Å; T609-C613 PolarHBondContact O-SG 2.61Å; T609-C613 VanDerWaalsContact O-SG 3.33Å; F610-C613 WeakPolarHBondContact O-CB 3.26Å; F610-C613 PolarHBondContact O-N 3.01Å; N611-C613 PolarHBondContact O-N 3.13Å; C613-L618 HydrophobicContact CB-CB 4.47Å; C613-L618 HydrophobicContact CB-CD1 4.48Å; C613-L618 WeakPolarHBondContact O-CB 3.18Å; C613-L618 PolarHBondContact O-N 2.84Å; C613-L619 HydrophobicContact CB-CD1 3.7Å; C613-L619 HydrophobicContact CB-CG 3.95Å; C613-L619 PolarHBondContact O-N 3.25Å; C613-L619 VanDerWaalsContact O-N 3.12Å
614	V	91.7	Very high	91.9	Very high	12 Å²	12	37.7 Å²	37.7	7%	0.073	23%	0.226	C	C	.	.	H	α-helix	trans	-77.4	-44.2	175.3	-179.8	0	0	0	0	110.2	E559 F610 N611 D612 D616 G617 L619 Y621	E559-V614 HydrophobicContact CB-CG1 4.04Å; E559-V614 WeakPolarHBondContact OE2-CG1 3.41Å; F610-V614 HydrophobicContact CD1-CG2 4.14Å; F610-V614 HydrophobicContact CE1-CG2 3.82Å; F610-V614 PolarHBondContact O-N 3.07Å; N611-V614 WeakPolarHBondContact O-CA 3.4Å; N611-V614 WeakPolarHBondContact O-CB 3.16Å; N611-V614 PolarHBondContact O-N 2.99Å; D612-V614 VanDerWaalsContact C-N 3.29Å; D612-V614 PolarHBondContact O-N 3.2Å; V614-D616 VanDerWaalsContact C-N 3.28Å; V614-D616 PolarHBondContact O-N 2.88Å; V614-G617 PolarHBondContact O-N 3.08Å; V614-L619 HydrophobicContact CG2-CB 4.11Å; V614-Y621 HydrophobicContact CG1-CD2 4.44Å; V614-Y621 HydrophobicContact CG1-CE2 4.28Å; V614-Y621 HydrophobicContact CG2-CE2 4Å
615	T	90.6	Very high	92.1	Very high	77 Å²	77	34.8 Å²	34.8	47%	0.472	20%	0.201	S	C	.	.	H	α-helix	trans	-65.2	-32.2	178.3	55.4	0	0	0	0	112.8	N611 D612 G617	N611-T615 PolarHBondContact O-N 2.84Å; N611-T615 PolarHBondContact O-OG1 2.87Å; D612-T615 VanDerWaalsContact CA-OG1 3.29Å; D612-T615 WeakPolarHBondContact CA-OG1 3.26Å; D612-T615 PolarHBondContact O-N 3.36Å; D612-T615 PolarHBondContact O-OG1 2.64Å; T615-G617 PolarHBondContact O-N 2.95Å
616	D	90	Very high	92.3	Very high	89 Å²	89	31.5 Å²	31.5	48%	0.476	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	0.2	176.2	-70.3	3.9	0	0	0	112.8	R608 D612 V614 L618	R608-D616 IonicContact CZ-OD2 2.93Å; R608-D616 IonicContact NH1-OD2 2.86Å; R608-D616 PolarHBondContact NH1-OD2 2.86Å; R608-D616 IonicContact NH2-OD2 3.13Å; D612-D616 VanDerWaalsContact O-CB 3.26Å; D612-D616 WeakPolarHBondContact O-CB 3.37Å; D612-D616 PolarHBondContact O-N 2.92Å; V614-D616 VanDerWaalsContact C-N 3.28Å; V614-D616 PolarHBondContact O-N 2.88Å; D616-L618 VanDerWaalsContact C-N 3.29Å; D616-L618 HydrophobicContact CB-CD1 4.41Å; D616-L618 HydrophobicContact CB-CG 4.13Å; D616-L618 PolarHBondContact O-N 3.34Å
617	G	90.2	Very high	92.6	Very high	2 Å²	2	29.9 Å²	29.9	2%	0.021	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	27.4	179.7	0	0	0	0	0	113.9	V614 T615	V614-G617 PolarHBondContact O-N 3.08Å; T615-G617 PolarHBondContact O-N 2.95Å
618	L	92.7	Very high	92.6	Very high	13 Å²	13	27.4 Å²	27.4	7%	0.068	15%	0.148	C	C	.	.	S	Bend	trans	-84.8	-35.2	173.3	-55	176.6	0	0	0	111.3	L587 K594 L595 C613 D616	L587-L618 PolarHBondContact N-O 3.17Å; L587-L618 VanDerWaalsContact N-O 3.09Å; K594-L618 HydrophobicContact CB-CD2 4.26Å; L595-L618 HydrophobicContact CD1-CB 4.41Å; L595-L618 HydrophobicContact CD1-CD1 4.08Å; C613-L618 HydrophobicContact CB-CB 4.47Å; C613-L618 HydrophobicContact CB-CD1 4.48Å; C613-L618 WeakPolarHBondContact O-CB 3.18Å; C613-L618 PolarHBondContact O-N 2.84Å; D616-L618 VanDerWaalsContact C-N 3.29Å; D616-L618 HydrophobicContact CB-CD1 4.41Å; D616-L618 HydrophobicContact CB-CG 4.13Å; D616-L618 PolarHBondContact O-N 3.34Å
619	L	94.2	Very high	92.7	Very high	3 Å²	3	29 Å²	29	2%	0.016	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	144.4	176.9	-57.5	178.3	0	0	0	109.7	L36 Y585 I586 F610 C613 V614	L36-L619 HydrophobicContact CD1-CD2 4.37Å; L36-L619 HydrophobicContact CD2-CD1 4.1Å; Y585-L619 WeakPolarHBondContact O-CA 3.44Å; I586-L619 HydrophobicContact CB-CD2 4.21Å; I586-L619 HydrophobicContact CG1-CD2 3.53Å; F610-L619 HydrophobicContact CD2-CD1 4.05Å; F610-L619 HydrophobicContact CE1-CD1 4.25Å; F610-L619 HydrophobicContact CE2-CD1 3.52Å; F610-L619 HydrophobicContact CZ-CD1 3.63Å; C613-L619 HydrophobicContact CB-CD1 3.7Å; C613-L619 HydrophobicContact CB-CG 3.95Å; C613-L619 PolarHBondContact O-N 3.25Å; C613-L619 VanDerWaalsContact O-N 3.12Å; V614-L619 HydrophobicContact CG2-CB 4.11Å
620	E	94.3	Very high	92.7	Very high	6 Å²	6	27.2 Å²	27.2	3%	0.028	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	150.3	169.3	67.5	-178.6	162.5	0	0	112.3	R552 R553 P584 Y585 L587 L622 H645	R552-E620 IonicContact CZ-OE2 3.38Å; R552-E620 IonicContact NE-OE2 2.73Å; R552-E620 IonicContact NH2-OE2 2.7Å; R552-E620 PolarHBondContact NH2-OE2 3.12Å; R553-E620 IonicContact CZ-OE1 2.95Å; R553-E620 IonicContact CZ-OE2 3.59Å; R553-E620 IonicContact NE-OE1 3.23Å; R553-E620 PolarHBondContact NE-OE1 3.17Å; R553-E620 IonicContact NE-OE2 2.83Å; R553-E620 PolarHBondContact NE-OE2 3.12Å; R553-E620 IonicContact NH2-OE1 2.59Å; R553-E620 PolarHBondContact NH2-OE1 3.2Å; R553-E620 IonicContact NH2-OE2 3.45Å; P584-E620 WeakPolarHBondContact CA-O 3.27Å; Y585-E620 PolarHBondContact N-O 3.05Å; Y585-E620 PolarHBondContact O-N 2.99Å; L587-E620 WeakPolarHBondContact CD1-OE1 3.12Å; E620-L622 HydrophobicContact CG-CD2 4.22Å; E620-H645 VanDerWaalsContact CG-NE2 3.34Å; E620-H645 WeakPolarHBondContact CG-NE2 3.38Å; E620-H645 IonicContact OE1-CD2 2.68Å; E620-H645 IonicContact OE1-CE1 3.19Å; E620-H645 PolarHBondContact OE1-CE1 3.07Å; E620-H645 IonicContact OE1-NE2 2.86Å; E620-H645 PolarHBondContact OE1-NE2 3.32Å
621	Y	95.1	Very high	92.9	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.016	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	121.6	176.7	-71.2	-82.5	0	0	0	110.1	F40 H490 E559 F560 C582 R583 P584 F610 V614	F40-Y621 HydrophobicContact CE2-CE1 4.05Å; H490-Y621 HydrophobicContact CB-CE1 4.48Å; E559-Y621 HydrophobicContact CB-CD2 4.37Å; E559-Y621 HydrophobicContact CG-CD2 4.27Å; E559-Y621 HydrophobicContact CG-CE2 4.4Å; F560-Y621 HydrophobicContact CD1-CD2 4.08Å; F560-Y621 HydrophobicContact CD1-CG 4.02Å; F560-Y621 HydrophobicContact CE1-CD1 4.01Å; F560-Y621 AromaticContact CE1-CD2 3.64Å; F560-Y621 HydrophobicContact CE1-CD2 3.64Å; F560-Y621 HydrophobicContact CE1-CE1 4.17Å; F560-Y621 AromaticContact CE1-CE2 3.81Å; F560-Y621 HydrophobicContact CE1-CE2 3.81Å; F560-Y621 AromaticContact CE1-CG 3.74Å; F560-Y621 HydrophobicContact CE1-CG 3.74Å; F560-Y621 HydrophobicContact CZ-CE2 4.41Å; C582-Y621 HydrophobicContact CB-CD1 4.43Å; R583-Y621 WeakPolarHBondContact O-CA 3.46Å; P584-Y621 HydrophobicContact CB-CD1 3.9Å; P584-Y621 HydrophobicContact CB-CE1 3.79Å; P584-Y621 HydrophobicContact CG-CD1 4.4Å; P584-Y621 HydrophobicContact CG-CE1 4.05Å; F610-Y621 WeakPolarHBondContact CE1-OH 3.34Å; V614-Y621 HydrophobicContact CG1-CD2 4.44Å; V614-Y621 HydrophobicContact CG1-CE2 4.28Å; V614-Y621 HydrophobicContact CG2-CE2 4Å
622	L	95.4	Very high	93.1	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	141	173	-56.6	-175.9	0	0	0	110.3	C582 R583 Y585 E620 E626 E627 A630 I632	C582-L622 CarbonylContact C-O 3.54Å; C582-L622 WeakPolarHBondContact CA-O 3.22Å; R583-L622 PolarHBondContact N-O 3.04Å; R583-L622 PolarHBondContact O-N 3.1Å; Y585-L622 HydrophobicContact CD2-CB 3.89Å; Y585-L622 HydrophobicContact CD2-CD1 3.58Å; Y585-L622 HydrophobicContact CD2-CG 3.69Å; Y585-L622 HydrophobicContact CE2-CB 3.96Å; Y585-L622 HydrophobicContact CE2-CD1 3.96Å; Y585-L622 HydrophobicContact CE2-CG 4.21Å; Y585-L622 HydrophobicContact CG-CD1 4.19Å; E620-L622 HydrophobicContact CG-CD2 4.22Å; L622-E626 HydrophobicContact CD2-CG 3.94Å; L622-E627 HydrophobicContact CB-CG 3.93Å; L622-E627 HydrophobicContact CD1-CG 4.36Å; L622-A630 HydrophobicContact CD1-CB 3.92Å; L622-I632 HydrophobicContact CD1-CD1 4.2Å
623	D	95.1	Very high	93.3	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.011	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	168.6	166.4	93.1	-26.3	0	0	0	110.6	S562 R580 L581 N625 E626 E627	S562-D623 VanDerWaalsContact CB-CG 3.41Å; S562-D623 PolarHBondContact OG-OD2 3.38Å; R580-D623 IonicContact NH1-OD2 3.5Å; L581-D623 WeakPolarHBondContact O-CA 3.15Å; D623-N625 PolarHBondContact O-N 2.85Å; D623-N625 VanDerWaalsContact O-N 3.13Å; D623-N625 PolarHBondContact OD1-N 2.91Å; D623-N625 PolarHBondContact OD2-ND2 2.65Å; D623-E626 PolarHBondContact O-N 2.7Å; D623-E626 VanDerWaalsContact O-N 3.16Å; D623-E626 WeakPolarHBondContact OD1-CB 3.12Å; D623-E626 PolarHBondContact OD1-N 2.9Å; D623-E627 WeakPolarHBondContact O-CG 3.32Å; D623-E627 PolarHBondContact O-N 3.17Å
624	V	95.9	Very high	93.4	Very high	6 Å²	6	29.7 Å²	29.7	4%	0.036	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-24.2	-177.5	-176.7	0	0	0	0	113.2	F349 M467 L581	F349-V624 HydrophobicContact CE1-CG1 4.38Å; F349-V624 HydrophobicContact CE2-CG1 3.95Å; F349-V624 HydrophobicContact CZ-CG1 3.7Å; M467-V624 HydrophobicContact CE-CG2 3.97Å; M467-V624 HydrophobicContact CG-CG2 3.89Å; L581-V624 HydrophobicContact CB-CG2 4.46Å
625	N	93.9	Very high	93.4	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.021	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-38.3	177.4	-55.9	-77.8	0	0	0	111.4	R191 G351 F564 D623 E627 N628	R191-N625 PolarHBondContact NH1-OD1 2.9Å; G351-N625 WeakPolarHBondContact CA-OD1 3.48Å; F564-N625 HydrophobicContact CD1-CB 3.39Å; F564-N625 HydrophobicContact CD2-CB 4.45Å; F564-N625 HydrophobicContact CE1-CB 3.4Å; F564-N625 HydrophobicContact CE2-CB 4.46Å; F564-N625 HydrophobicContact CG-CB 3.94Å; F564-N625 HydrophobicContact CZ-CB 3.98Å; D623-N625 PolarHBondContact O-N 2.85Å; D623-N625 VanDerWaalsContact O-N 3.13Å; D623-N625 PolarHBondContact OD1-N 2.91Å; D623-N625 PolarHBondContact OD2-ND2 2.65Å; N625-E627 VanDerWaalsContact C-N 3.35Å; N625-N628 WeakPolarHBondContact O-CB 3.3Å; N625-N628 PolarHBondContact O-N 3.37Å
626	E	94.4	Very high	93.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-71	-31.7	176.6	-165.8	167.5	177.6	0	0	111.4	R549 R552 S562 V563 L622 D623 N628 D629 A630	R549-E626 IonicContact CZ-OE1 3.52Å; R549-E626 IonicContact NE-OE1 2.69Å; R549-E626 PolarHBondContact NE-OE1 3.47Å; R549-E626 IonicContact NH2-OE1 3.23Å; R552-E626 IonicContact CZ-OE1 3.56Å; R552-E626 IonicContact CZ-OE2 2.77Å; R552-E626 IonicContact NH1-OE1 3.37Å; R552-E626 PolarHBondContact NH1-OE1 2.89Å; R552-E626 IonicContact NH1-OE2 3.86Å; R552-E626 PolarHBondContact NH1-OE2 2.85Å; R552-E626 IonicContact NH2-OE1 3.65Å; R552-E626 PolarHBondContact NH2-OE1 2.79Å; R552-E626 IonicContact NH2-OE2 3.49Å; S562-E626 WeakPolarHBondContact CA-OE2 3.5Å; V563-E626 PolarHBondContact N-OE2 3.45Å; V563-E626 WeakPolarHBondContact O-CG 3.31Å; L622-E626 HydrophobicContact CD2-CG 3.94Å; D623-E626 PolarHBondContact O-N 2.7Å; D623-E626 VanDerWaalsContact O-N 3.16Å; D623-E626 WeakPolarHBondContact OD1-CB 3.12Å; D623-E626 PolarHBondContact OD1-N 2.9Å; E626-N628 PolarHBondContact O-N 2.92Å; E626-D629 PolarHBondContact O-N 3.12Å; E626-A630 PolarHBondContact O-N 2.82Å
627	E	94.2	Very high	93.4	Very high	28 Å²	28	33.8 Å²	33.8	13%	0.131	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-59.3	-25.2	170.3	-76.1	-179	162.7	0	0	113.3	M467 Y585 L622 D623 N625 D629 I632	M467-E627 WeakPolarHBondContact CE-OE1 3.45Å; Y585-E627 HydrophobicContact CE2-CG 4.4Å; Y585-E627 VanDerWaalsContact CE2-OE1 3.25Å; Y585-E627 WeakPolarHBondContact CE2-OE1 3.25Å; Y585-E627 PolarHBondContact OH-OE1 2.84Å; L622-E627 HydrophobicContact CB-CG 3.93Å; L622-E627 HydrophobicContact CD1-CG 4.36Å; D623-E627 WeakPolarHBondContact O-CG 3.32Å; D623-E627 PolarHBondContact O-N 3.17Å; N625-E627 VanDerWaalsContact C-N 3.35Å; E627-D629 VanDerWaalsContact C-N 3.32Å; E627-I632 HydrophobicContact CG-CD1 4.22Å
628	N	91.5	Very high	93.4	Very high	118 Å²	118	37.4 Å²	37.4	63%	0.631	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-72.9	-25.4	174.4	-72.3	-23.2	0	0	0	112.9	F349 N625 E626	F349-N628 WeakPolarHBondContact CZ-ND2 3.21Å; N625-N628 WeakPolarHBondContact O-CB 3.3Å; N625-N628 PolarHBondContact O-N 3.37Å; E626-N628 PolarHBondContact O-N 2.92Å
629	D	91	Very high	93.3	Very high	70 Å²	70	38.2 Å²	38.2	37%	0.374	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-24.4	177	-173	41	0	0	0	111.4	R549 E626 E627	R549-D629 IonicContact CZ-OD2 2.63Å; R549-D629 IonicContact NH1-OD2 3.74Å; R549-D629 PolarHBondContact NH1-OD2 3.34Å; R549-D629 VanDerWaalsContact NH1-OD2 3.13Å; R549-D629 IonicContact NH2-OD2 2.69Å; R549-D629 PolarHBondContact NH2-OD2 3.08Å; E626-D629 PolarHBondContact O-N 3.12Å; E627-D629 VanDerWaalsContact C-N 3.32Å
630	A	92.5	Very high	93.1	Very high	18 Å²	18	41.6 Å²	41.6	15%	0.149	21%	0.212	C	C	.	.			trans	-83.1	136.9	179.9	0	0	0	0	0	112.9	L622 E626 I632	L622-A630 HydrophobicContact CD1-CB 3.92Å; E626-A630 PolarHBondContact O-N 2.82Å; A630-I632 HydrophobicContact CB-CD1 4.5Å; A630-I632 HydrophobicContact CB-CG1 4.13Å
631	N	94.5	Very high	92.8	Very high	73 Å²	73	50.5 Å²	50.5	39%	0.39	25%	0.253	S	S	.	.			trans	-98.2	113	166.4	-166.1	7.2	0	0	0	109.7	T642 T644 H645	N631-T642 PolarHBondContact ND2-OG1 3.38Å; N631-T642 VanDerWaalsContact ND2-OG1 3.09Å; N631-T644 PolarHBondContact N-OG1 2.97Å; N631-T644 PolarHBondContact O-N 3.31Å; N631-T644 PolarHBondContact O-OG1 3.05Å; N631-H645 PolarHBondContact O-N 3.04Å
632	I	95.3	Very high	92.6	Very high	44 Å²	44	54.7 Å²	54.7	23%	0.226	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	119	-168.6	-48.3	-179.2	0	0	0	110.4	Y585 L622 E627 A630 H645	Y585-I632 HydrophobicContact CD1-CD1 4.32Å; Y585-I632 HydrophobicContact CD1-CG2 3.83Å; Y585-I632 HydrophobicContact CE1-CD1 3.82Å; Y585-I632 HydrophobicContact CE1-CG2 3.74Å; Y585-I632 HydrophobicContact CE2-CD1 4.19Å; L622-I632 HydrophobicContact CD1-CD1 4.2Å; E627-I632 HydrophobicContact CG-CD1 4.22Å; A630-I632 HydrophobicContact CB-CD1 4.5Å; A630-I632 HydrophobicContact CB-CG1 4.13Å; I632-H645 WeakPolarHBondContact CA-O 3.37Å; I632-H645 HydrophobicContact CG1-CB 4.18Å; I632-H645 HydrophobicContact CG2-CB 4.28Å
633	A	95.1	Very high	92.5	Very high	5 Å²	5	55.1 Å²	55.1	4%	0.041	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	136.7	171.7	0	0	0	0	0	110.8	I639 T643 H645 L646 E647	A633-I639 HydrophobicContact CB-CG1 3.89Å; A633-T643 HydrophobicContact CB-CG2 4.1Å; A633-H645 PolarHBondContact N-O 3.35Å; A633-L646 HydrophobicContact CB-CD1 4.04Å; A633-E647 WeakPolarHBondContact O-CB 3.37Å; A633-E647 PolarHBondContact O-N 3.06Å
634	V	93	Very high	92.4	Very high	50 Å²	50	57.4 Å²	57.4	30%	0.303	30%	0.296	S	S	.	.	S	Bend	trans	-80.5	-41.1	176.6	-178.1	0	0	0	0	111.3	P650	V634-P650 HydrophobicContact CG1-CB 4.18Å
635	Y	92.4	Very high	92.4	Very high	73 Å²	73	57.3 Å²	57.3	29%	0.286	30%	0.295	S	S	.	.	S	Bend	trans	-127.2	157.5	177	-60.5	-76.7	0	0	0	110.1	K637 D638 P650	Y635-K637 PolarHBondContact O-N 3.4Å; Y635-D638 PolarHBondContact O-N 2.78Å; Y635-P650 HydrophobicContact CE1-CG 4.09Å
636	E	90.2	Very high	92.5	Very high	25 Å²	25	57.1 Å²	57.1	12%	0.117	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-59.9	-30.6	-178.6	-63.3	75.9	-172.4	0	0	112.1	K33 D638 I639 L646	K33-E636 VanDerWaalsContact CD-OE1 3.26Å; K33-E636 WeakPolarHBondContact CD-OE1 3.41Å; K33-E636 WeakPolarHBondContact CE-OE1 3.33Å; K33-E636 IonicContact NZ-OE1 3.18Å; K33-E636 PolarHBondContact NZ-OE1 2.73Å; K33-E636 IonicContact NZ-OE2 2.62Å; E636-D638 PolarHBondContact O-N 3.23Å; E636-I639 HydrophobicContact CB-CD1 4.33Å; E636-I639 WeakPolarHBondContact O-CB 3.07Å; E636-I639 VanDerWaalsContact O-CG1 3.29Å; E636-I639 WeakPolarHBondContact O-CG1 3.1Å; E636-I639 PolarHBondContact O-N 3.3Å; E636-L646 HydrophobicContact CG-CD2 4Å
637	K	90	Very high	92.5	Very high	166 Å²	166	57.3 Å²	57.3	72%	0.722	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-67.8	-19.1	176.2	58.3	168.3	-172.9	179.8	0	114.3	Y635	Y635-K637 PolarHBondContact O-N 3.4Å
638	D	90.2	Very high	92.5	Very high	77 Å²	77	56 Å²	56	41%	0.412	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-96.8	1.5	-176.4	-53.5	-39.3	0	0	0	111.4	Y635 E636	Y635-D638 PolarHBondContact O-N 2.78Å; E636-D638 PolarHBondContact O-N 3.23Å
639	I	91.2	Very high	92.6	Very high	31 Å²	31	50.9 Å²	50.9	16%	0.159	26%	0.261	C	S	.	.			trans	-65.1	134.2	178	-66	176.6	0	0	0	110.2	I588 G591 P593 A633 E636 T643 L646	I588-I639 HydrophobicContact CD1-CD1 4.13Å; I588-I639 HydrophobicContact CD1-CG1 4.07Å; I588-I639 HydrophobicContact CD1-CG2 4.36Å; G591-I639 VanDerWaalsContact O-CG2 3.31Å; G591-I639 WeakPolarHBondContact O-CG2 3.28Å; P593-I639 HydrophobicContact CG-CD1 3.92Å; A633-I639 HydrophobicContact CB-CG1 3.89Å; E636-I639 HydrophobicContact CB-CD1 4.33Å; E636-I639 WeakPolarHBondContact O-CB 3.07Å; E636-I639 VanDerWaalsContact O-CG1 3.29Å; E636-I639 WeakPolarHBondContact O-CG1 3.1Å; E636-I639 PolarHBondContact O-N 3.3Å; I639-T643 WeakPolarHBondContact CG2-OG1 3.37Å; I639-L646 HydrophobicContact CD1-CD1 4.36Å; I639-L646 HydrophobicContact CD1-CD2 4.49Å
640	N	89.7	Confident	92.7	Very high	73 Å²	73	48.1 Å²	48.1	39%	0.39	25%	0.247	S	C	.	.			trans	-136.4	176.3	175.3	66.6	49.8	0	0	0	110.2	T642 T643	N640-T642 PolarHBondContact O-N 2.67Å; N640-T642 VanDerWaalsContact O-N 3.14Å; N640-T642 WeakPolarHBondContact OD1-CA 3.43Å; N640-T642 WeakPolarHBondContact OD1-CB 3.28Å; N640-T642 PolarHBondContact OD1-N 2.83Å; N640-T642 PolarHBondContact OD1-OG1 3.03Å; N640-T643 PolarHBondContact N-OG1 3.4Å; N640-T643 PolarHBondContact O-N 2.97Å; N640-T643 VanDerWaalsContact O-N 3.12Å; N640-T643 PolarHBondContact O-OG1 3.31Å; N640-T643 PolarHBondContact OD1-N 3.43Å
641	E	88.3	Confident	92.8	Very high	193 Å²	193	47.4 Å²	47.4	90%	0.902	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-22.1	-176.5	-64	177.8	-179.6	0	0	113.6
642	T	91	Very high	92.8	Very high	93 Å²	93	43.9 Å²	43.9	57%	0.571	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-6.7	178.9	70.1	0	0	0	0	113.5	N631 N640 T644	N631-T642 PolarHBondContact ND2-OG1 3.38Å; N631-T642 VanDerWaalsContact ND2-OG1 3.09Å; N640-T642 PolarHBondContact O-N 2.67Å; N640-T642 VanDerWaalsContact O-N 3.14Å; N640-T642 WeakPolarHBondContact OD1-CA 3.43Å; N640-T642 WeakPolarHBondContact OD1-CB 3.28Å; N640-T642 PolarHBondContact OD1-N 2.83Å; N640-T642 PolarHBondContact OD1-OG1 3.03Å; T642-T644 PolarHBondContact O-N 2.95Å
643	T	93.7	Very high	92.8	Very high	9 Å²	9	42.8 Å²	42.8	6%	0.055	22%	0.216	C	C	.	.			trans	-72.5	128.5	179.4	50.9	0	0	0	0	110.4	I588 A633 I639 N640	I588-T643 WeakPolarHBondContact CG2-O 3.27Å; A633-T643 HydrophobicContact CB-CG2 4.1Å; I639-T643 WeakPolarHBondContact CG2-OG1 3.37Å; N640-T643 PolarHBondContact N-OG1 3.4Å; N640-T643 PolarHBondContact O-N 2.97Å; N640-T643 VanDerWaalsContact O-N 3.12Å; N640-T643 PolarHBondContact O-OG1 3.31Å; N640-T643 PolarHBondContact OD1-N 3.43Å
644	T	93.2	Very high	92.8	Very high	49 Å²	49	43.3 Å²	43.3	30%	0.301	22%	0.219	S	C	.	.			trans	-96	-32.2	-178	58.5	0	0	0	0	111.8	I588 N631 T642	I588-T644 PolarHBondContact N-O 3.41Å; N631-T644 PolarHBondContact N-OG1 2.97Å; N631-T644 PolarHBondContact O-N 3.31Å; N631-T644 PolarHBondContact O-OG1 3.05Å; T642-T644 PolarHBondContact O-N 2.95Å
645	H	95.6	Very high	92.8	Very high	5 Å²	5	41 Å²	41	2%	0.023	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	156.4	-171.5	-66.7	86.5	0	0	0	111.7	I586 I588 E620 N631 I632 A633	I586-H645 CarbonylContact O-C 3.59Å; I586-H645 VanDerWaalsContact O-CA 3.29Å; I586-H645 WeakPolarHBondContact O-CA 3.49Å; I588-H645 VanDerWaalsContact CD1-C 3.46Å; I588-H645 WeakPolarHBondContact CD1-O 3.35Å; E620-H645 VanDerWaalsContact CG-NE2 3.34Å; E620-H645 WeakPolarHBondContact CG-NE2 3.38Å; E620-H645 IonicContact OE1-CD2 2.68Å; E620-H645 IonicContact OE1-CE1 3.19Å; E620-H645 PolarHBondContact OE1-CE1 3.07Å; E620-H645 IonicContact OE1-NE2 2.86Å; E620-H645 PolarHBondContact OE1-NE2 3.32Å; N631-H645 PolarHBondContact O-N 3.04Å; I632-H645 WeakPolarHBondContact CA-O 3.37Å; I632-H645 HydrophobicContact CG1-CB 4.18Å; I632-H645 HydrophobicContact CG2-CB 4.28Å; A633-H645 PolarHBondContact N-O 3.35Å
646	L	95	Very high	92.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	134.4	173.2	176.4	68.8	0	0	0	110.1	I586 I588 P593 A633 E636 I639	I586-L646 HydrophobicContact CB-CB 4.12Å; I586-L646 HydrophobicContact CD1-CD2 4.21Å; I586-L646 PolarHBondContact N-O 2.94Å; I586-L646 PolarHBondContact O-N 2.73Å; I588-L646 HydrophobicContact CD1-CB 3.99Å; I588-L646 HydrophobicContact CG1-CB 4.18Å; P593-L646 HydrophobicContact CG-CD2 4.12Å; A633-L646 HydrophobicContact CB-CD1 4.04Å; E636-L646 HydrophobicContact CG-CD2 4Å; I639-L646 HydrophobicContact CD1-CD1 4.36Å; I639-L646 HydrophobicContact CD1-CD2 4.49Å
647	E	94.7	Very high	93	Very high	3 Å²	3	36.5 Å²	36.5	1%	0.014	19%	0.187	C	C	.	.			trans	-64.9	128.9	172.6	-176.1	60.8	-101.2	0	0	111	R583 Y585 A633	R583-E647 IonicContact CZ-OE1 2.84Å; R583-E647 IonicContact NE-OE1 2.7Å; R583-E647 PolarHBondContact NE-OE1 3.2Å; R583-E647 IonicContact NE-OE2 2.92Å; R583-E647 IonicContact NH2-OE1 3.63Å; R583-E647 PolarHBondContact NH2-OE1 3.27Å; R583-E647 IonicContact NH2-OE2 3.84Å; Y585-E647 WeakPolarHBondContact CE1-OE2 3.37Å; A633-E647 WeakPolarHBondContact O-CB 3.37Å; A633-E647 PolarHBondContact O-N 3.06Å
648	I	93.8	Very high	93.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	-64.6	-60.5	-179.8	-67.5	171.3	0	0	0	109.2	K33 L36 V37 M488 P584 I586	K33-I648 VanDerWaalsContact CD-O 3.23Å; K33-I648 WeakPolarHBondContact CD-O 3.43Å; K33-I648 WeakPolarHBondContact CE-O 3.46Å; K33-I648 PolarHBondContact NZ-O 3.33Å; L36-I648 HydrophobicContact CB-CG2 3.88Å; L36-I648 HydrophobicContact CD1-CD1 4.43Å; L36-I648 HydrophobicContact CD1-CG1 4.3Å; L36-I648 HydrophobicContact CD1-CG2 4.02Å; V37-I648 HydrophobicContact CG2-CG2 4.22Å; M488-I648 HydrophobicContact CE-CD1 3.78Å; M488-I648 HydrophobicContact CE-CG2 4.5Å; M488-I648 HydrophobicContact SD-CB 4.46Å; M488-I648 HydrophobicContact SD-CG2 4.31Å; P584-I648 HydrophobicContact CB-CD1 4.14Å; P584-I648 HydrophobicContact CG-CD1 4.11Å; P584-I648 WeakPolarHBondContact O-CD1 3.4Å; I586-I648 HydrophobicContact CD1-CG1 4.14Å; I586-I648 HydrophobicContact CG1-CG1 3.95Å
649	E	93.7	Very high	93.5	Very high	12 Å²	12	25 Å²	25	6%	0.056	13%	0.133	C	C	.	.			trans	-150.5	118.3	-178.7	-82.9	-60.2	160.7	0	0	111.6	K33 W34 V37 F651 T652	K33-E649 WeakPolarHBondContact CE-OE1 3.38Å; K33-E649 WeakPolarHBondContact CG-OE1 3.44Å; W34-E649 WeakPolarHBondContact CA-OE1 3.36Å; W34-E649 HydrophobicContact CB-CG 3.84Å; W34-E649 VanDerWaalsContact CB-OE1 3.27Å; W34-E649 WeakPolarHBondContact CB-OE1 3.33Å; W34-E649 PolarHBondContact N-OE1 3.49Å; V37-E649 HydrophobicContact CG2-CB 4.01Å; V37-E649 HydrophobicContact CG2-CG 3.91Å; E649-F651 VanDerWaalsContact C-N 3.28Å; E649-F651 HydrophobicContact CB-CD1 3.88Å; E649-F651 HydrophobicContact CB-CE1 3.57Å; E649-F651 HydrophobicContact CB-CZ 4.22Å; E649-F651 HydrophobicContact CG-CD1 4.29Å; E649-F651 HydrophobicContact CG-CE1 3.64Å; E649-F651 HydrophobicContact CG-CZ 4.38Å; E649-F651 PolarHBondContact O-N 2.82Å; E649-F651 WeakPolarHBondContact OE2-CD1 3.36Å; E649-F651 WeakPolarHBondContact OE2-CE1 3.39Å; E649-T652 HydrophobicContact CB-CG2 3.92Å; E649-T652 WeakPolarHBondContact O-CB 3.08Å; E649-T652 WeakPolarHBondContact O-CG2 3.4Å; E649-T652 PolarHBondContact O-N 2.87Å; E649-T652 PolarHBondContact O-OG1 3.46Å
650	P	93.9	Very high	93.6	Very high	12 Å²	12	23.9 Å²	23.9	8%	0.078	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-69.4	-21	-172.6	26.3	-35	0	0	0	113.8	V634 Y635 T652 I653 F956	V634-P650 HydrophobicContact CG1-CB 4.18Å; Y635-P650 HydrophobicContact CE1-CG 4.09Å; P650-T652 PolarHBondContact O-N 3.2Å; P650-I653 WeakPolarHBondContact O-CG2 3.29Å; P650-I653 PolarHBondContact O-N 3.13Å; P650-F956 HydrophobicContact CB-CD2 4.2Å
651	F	94.6	Very high	94	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.009	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-68.7	-18.7	178.6	72.5	-98.3	0	0	0	113	V37 L487 E649 I653 L654 K712 L716 T954 V955	V37-F651 HydrophobicContact CG2-CZ 4.3Å; L487-F651 HydrophobicContact CD2-CE2 4.34Å; E649-F651 VanDerWaalsContact C-N 3.28Å; E649-F651 HydrophobicContact CB-CD1 3.88Å; E649-F651 HydrophobicContact CB-CE1 3.57Å; E649-F651 HydrophobicContact CB-CZ 4.22Å; E649-F651 HydrophobicContact CG-CD1 4.29Å; E649-F651 HydrophobicContact CG-CE1 3.64Å; E649-F651 HydrophobicContact CG-CZ 4.38Å; E649-F651 PolarHBondContact O-N 2.82Å; E649-F651 WeakPolarHBondContact OE2-CD1 3.36Å; E649-F651 WeakPolarHBondContact OE2-CE1 3.39Å; F651-I653 PolarHBondContact O-N 3.44Å; F651-L654 PolarHBondContact O-N 2.84Å; F651-K712 HydrophobicContact CE1-CD 4.46Å; F651-K712 HydrophobicContact CZ-CB 4.4Å; F651-L716 HydrophobicContact CE2-CD1 4.24Å; F651-L716 HydrophobicContact CZ-CD1 4.42Å; F651-T954 HydrophobicContact CB-CG2 4.04Å; F651-T954 HydrophobicContact CD1-CG2 4.12Å; F651-T954 HydrophobicContact CD2-CG2 4.39Å; F651-T954 HydrophobicContact CG-CG2 3.93Å; F651-V955 HydrophobicContact CB-CB 4.04Å; F651-V955 HydrophobicContact CB-CG2 4.44Å
652	T	94.8	Very high	94.4	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-73.5	-5.8	-177.1	64	0	0	0	0	113.3	V37 A486 L487 M488 R583 E649 P650 L654	V37-T652 HydrophobicContact CG1-CG2 4.07Å; V37-T652 HydrophobicContact CG2-CG2 4.01Å; A486-T652 WeakPolarHBondContact CB-O 3.03Å; L487-T652 HydrophobicContact CD2-CG2 4.27Å; L487-T652 PolarHBondContact N-O 3.33Å; L487-T652 VanDerWaalsContact N-O 3.1Å; M488-T652 HydrophobicContact CG-CG2 3.87Å; M488-T652 HydrophobicContact SD-CG2 3.87Å; R583-T652 PolarHBondContact NH1-OG1 3.46Å; R583-T652 PolarHBondContact NH2-OG1 3.19Å; E649-T652 HydrophobicContact CB-CG2 3.92Å; E649-T652 WeakPolarHBondContact O-CB 3.08Å; E649-T652 WeakPolarHBondContact O-CG2 3.4Å; E649-T652 PolarHBondContact O-N 2.87Å; E649-T652 PolarHBondContact O-OG1 3.46Å; P650-T652 PolarHBondContact O-N 3.2Å; T652-L654 PolarHBondContact O-N 3.45Å
653	I	95.3	Very high	94.6	Very high	20 Å²	20	7 Å²	7	10%	0.103	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-58.6	-29.6	165.9	-166.9	172.7	0	0	0	112.2	W465 P470 P650 F651	W465-I653 HydrophobicContact CD2-CD1 3.95Å; W465-I653 HydrophobicContact CE3-CD1 3.42Å; W465-I653 VanDerWaalsContact CE3-CD1 3.42Å; W465-I653 HydrophobicContact CH2-CD1 3.82Å; W465-I653 HydrophobicContact CZ2-CD1 4.29Å; W465-I653 HydrophobicContact CZ3-CD1 3.36Å; P470-I653 WeakPolarHBondContact CD-O 3.18Å; P470-I653 HydrophobicContact CG-CD1 4.5Å; P470-I653 HydrophobicContact CG-CG1 4.37Å; P650-I653 WeakPolarHBondContact O-CG2 3.29Å; P650-I653 PolarHBondContact O-N 3.13Å; F651-I653 PolarHBondContact O-N 3.44Å
654	L	95.5	Very high	94.7	Very high	17 Å²	17	6.8 Å²	6.8	9%	0.089	4%	0.038	C	C	.	.	S	Bend	trans	-82.7	136.4	174.4	-63.4	-163.5	0	0	0	110.5	P470 F651 T652 A658 P664 V955	P470-L654 HydrophobicContact CG-CD2 4.12Å; F651-L654 PolarHBondContact O-N 2.84Å; T652-L654 PolarHBondContact O-N 3.45Å; L654-A658 HydrophobicContact CB-CB 3.98Å; L654-A658 HydrophobicContact CD1-CB 4.06Å; L654-A658 HydrophobicContact CD2-CB 4.15Å; L654-A658 HydrophobicContact CG-CB 4.3Å; L654-P664 HydrophobicContact CD1-CB 4.47Å; L654-P664 HydrophobicContact CD1-CG 3.88Å; L654-V955 HydrophobicContact CD1-CG2 3.54Å; L654-V955 HydrophobicContact CG-CG2 4.3Å
655	G	93	Very high	94.8	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.01	4%	0.04	C	C	.	.			trans	-77.7	-173	171.2	0	0	0	0	0	113.1	C469 L485 C657 A658 G659	C469-G655 PolarHBondContact SG-N 2.78Å; L485-G655 WeakPolarHBondContact O-CA 3.18Å; G655-C657 PolarHBondContact O-N 3.48Å; G655-A658 PolarHBondContact O-N 3.46Å; G655-G659 PolarHBondContact O-N 2.81Å
656	V	92.6	Very high	94.8	Very high	3 Å²	3	11.2 Å²	11.2	2%	0.018	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-54.1	-175.2	176.1	0	0	0	0	113.5	L46 L438 T442 G659 L717	L46-V656 HydrophobicContact CD1-CG2 3.37Å; L438-V656 HydrophobicContact CB-CG1 3.97Å; L438-V656 HydrophobicContact CD1-CG1 4.26Å; T442-V656 HydrophobicContact CG2-CG2 4.37Å; V656-G659 PolarHBondContact O-N 3.05Å; V656-L717 HydrophobicContact CB-CD1 4.05Å; V656-L717 HydrophobicContact CG1-CD1 3.63Å; V656-L717 HydrophobicContact CG2-CD1 3.83Å
657	C	94.3	Very high	94.8	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.007	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-33.9	-173.7	-63.1	0	0	0	0	112.6	G655 L660 C676 K680	G655-C657 PolarHBondContact O-N 3.48Å; C657-L660 WeakPolarHBondContact O-CB 3.26Å; C657-L660 PolarHBondContact O-N 2.77Å; C657-C676 HydrophobicContact CB-CB 4.34Å; C657-K680 WeakPolarHBondContact SG-CE 3.43Å
658	A	95.3	Very high	94.9	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-74.3	-32	177.6	0	0	0	0	0	111.7	C469 A471 L654 G655 L660 I661 C676	C469-A658 VanDerWaalsContact SG-CB 3.54Å; A471-A658 HydrophobicContact CB-CB 4.14Å; L654-A658 HydrophobicContact CB-CB 3.98Å; L654-A658 HydrophobicContact CD1-CB 4.06Å; L654-A658 HydrophobicContact CD2-CB 4.15Å; L654-A658 HydrophobicContact CG-CB 4.3Å; G655-A658 PolarHBondContact O-N 3.46Å; A658-L660 PolarHBondContact O-N 3.18Å; A658-L660 VanDerWaalsContact O-N 3.11Å; A658-I661 WeakPolarHBondContact O-CG1 3.45Å; A658-I661 PolarHBondContact O-N 3.5Å; A658-I661 VanDerWaalsContact O-N 3.14Å; A658-C676 VanDerWaalsContact CA-SG 3.59Å
659	G	93.8	Very high	94.9	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.01	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-64.5	-9.5	173.8	0	0	0	0	0	114.4	G655 V656 I661 T711	G655-G659 PolarHBondContact O-N 2.81Å; V656-G659 PolarHBondContact O-N 3.05Å; G659-I661 VanDerWaalsContact C-N 3.3Å; G659-T711 WeakPolarHBondContact O-CB 3.48Å; G659-T711 WeakPolarHBondContact O-CG2 3.5Å; G659-T711 PolarHBondContact O-OG1 3.19Å
660	L	94.4	Very high	95	Very high	8 Å²	8	21 Å²	21	4%	0.042	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-76.2	-14.8	173	-62.1	176.1	0	0	0	113.6	I435 C657 A658 I714 I719 R892	I435-L660 HydrophobicContact CB-CD1 4.38Å; I435-L660 HydrophobicContact CD1-CD1 3.61Å; I435-L660 HydrophobicContact CD1-CD2 4.17Å; I435-L660 HydrophobicContact CG1-CD1 3.94Å; I435-L660 HydrophobicContact CG1-CD2 4.41Å; I435-L660 HydrophobicContact CG2-CD1 3.55Å; C657-L660 WeakPolarHBondContact O-CB 3.26Å; C657-L660 PolarHBondContact O-N 2.77Å; A658-L660 PolarHBondContact O-N 3.18Å; A658-L660 VanDerWaalsContact O-N 3.11Å; L660-I714 HydrophobicContact CD2-CD1 4.32Å; L660-I714 HydrophobicContact CD2-CG1 3.88Å; L660-I719 HydrophobicContact CD2-CD1 3.73Å; L660-I719 HydrophobicContact CD2-CG2 4.19Å; L660-R892 PolarHBondContact O-NE 3.06Å; L660-R892 PolarHBondContact O-NH2 2.86Å
661	I	96.9	Very high	95.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-84.6	125.3	-173.3	-53.6	178.1	0	0	0	108.5	A658 G659 P664 N672 Q675 T711	A658-I661 WeakPolarHBondContact O-CG1 3.45Å; A658-I661 PolarHBondContact O-N 3.5Å; A658-I661 VanDerWaalsContact O-N 3.14Å; G659-I661 VanDerWaalsContact C-N 3.3Å; I661-P664 HydrophobicContact CB-CB 3.99Å; I661-P664 HydrophobicContact CB-CG 4.4Å; I661-P664 HydrophobicContact CG2-CB 3.73Å; I661-P664 HydrophobicContact CG2-CG 4.46Å; I661-P664 WeakPolarHBondContact O-CD 3.23Å; I661-N672 HydrophobicContact CD1-CB 3.73Å; I661-Q675 HydrophobicContact CD1-CB 3.78Å; I661-Q675 HydrophobicContact CD1-CG 3.99Å; I661-Q675 HydrophobicContact CG1-CB 4.13Å; I661-Q675 HydrophobicContact CG1-CG 3.76Å; I661-T711 WeakPolarHBondContact O-CG2 3.49Å
662	P	96.5	Very high	95.2	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-77.2	138.8	170.9	31.4	-26	0	0	0	109	V709 H893 E937 G953	P662-V709 HydrophobicContact CB-CG1 3.89Å; P662-H893 WeakPolarHBondContact CG-NE2 3.43Å; P662-H893 PolarHBondContact O-CE1 2.9Å; P662-E937 HydrophobicContact CG-CB 4.22Å; P662-E937 HydrophobicContact CG-CG 3.99Å; P662-G953 CarbonylContact C-O 3.54Å; P662-G953 WeakPolarHBondContact CA-O 3.4Å
663	Y	96.5	Very high	95.2	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.016	13%	0.132	C	C	.	.	S	Bend	trans	48.3	51.1	178.5	-56	-74	0	0	0	114.6	H665 H666 V709 M936 A940 Y952 G953 D959 M961	Y663-H665 PolarHBondContact O-N 2.9Å; Y663-H666 PolarHBondContact O-N 2.92Å; Y663-H666 VanDerWaalsContact O-N 3.09Å; Y663-V709 HydrophobicContact CE2-CG1 4.07Å; Y663-M936 HydrophobicContact CD1-SD 4.49Å; Y663-M936 HydrophobicContact CD2-CB 3.89Å; Y663-M936 HydrophobicContact CE2-CB 4.17Å; Y663-M936 HydrophobicContact CG-CB 4.32Å; Y663-M936 HydrophobicContact CG-SD 4.38Å; Y663-A940 HydrophobicContact CE2-CB 4.44Å; Y663-Y952 PolarHBondContact OH-O 3.4Å; Y663-G953 PolarHBondContact N-O 2.84Å; Y663-D959 PolarHBondContact OH-O 3.24Å; Y663-M961 HydrophobicContact CE1-CE 3.82Å; Y663-M961 HydrophobicContact CE2-CE 3.98Å
664	P	96.3	Very high	95.3	Very high	4 Å²	4	26.1 Å²	26.1	3%	0.026	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-68.2	-21.8	-174.1	24.2	-28.7	0	0	0	113.6	L654 I661 H666 N667 N672 V955	L654-P664 HydrophobicContact CD1-CB 4.47Å; L654-P664 HydrophobicContact CD1-CG 3.88Å; I661-P664 HydrophobicContact CB-CB 3.99Å; I661-P664 HydrophobicContact CB-CG 4.4Å; I661-P664 HydrophobicContact CG2-CB 3.73Å; I661-P664 HydrophobicContact CG2-CG 4.46Å; I661-P664 WeakPolarHBondContact O-CD 3.23Å; P664-H666 PolarHBondContact O-N 3.43Å; P664-N667 PolarHBondContact O-N 3.21Å; P664-N667 VanDerWaalsContact O-N 3.14Å; P664-N672 PolarHBondContact O-ND2 2.97Å; P664-V955 HydrophobicContact CG-CB 4.09Å; P664-V955 HydrophobicContact CG-CG1 3.89Å; P664-V955 HydrophobicContact CG-CG2 3.29Å
665	H	95.2	Very high	95.3	Very high	73 Å²	73	25.4 Å²	25.4	34%	0.338	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-69.7	-13.2	174.9	55.1	-79.9	0	0	0	113.1	Y663 V955 F956	Y663-H665 PolarHBondContact O-N 2.9Å; H665-V955 HydrophobicContact CB-CG1 4.42Å; H665-F956 HydrophobicContact CB-CD1 4.11Å; H665-F956 HydrophobicContact CB-CE1 3.75Å; H665-F956 PolarHBondContact ND1-N 3.38Å
666	H	95.5	Very high	95.4	Very high	75 Å²	75	25.3 Å²	25.3	35%	0.347	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-99	8.4	172.3	-70.1	-66.1	0	0	0	113.3	Y663 P664 V932 G933 M936	Y663-H666 PolarHBondContact O-N 2.92Å; Y663-H666 VanDerWaalsContact O-N 3.09Å; P664-H666 PolarHBondContact O-N 3.43Å; H666-V932 HydrophobicContact CB-CB 4.37Å; H666-V932 PolarHBondContact O-N 2.68Å; H666-G933 PolarHBondContact O-N 3.26Å; H666-M936 HydrophobicContact CB-SD 4.19Å; H666-M936 PolarHBondContact CD2-SD 2.96Å
667	N	95.4	Very high	95.5	Very high	14 Å²	14	26.6 Å²	26.6	8%	0.075	15%	0.145	C	C	.	.	S	Bend	trans	-113.2	150.4	172.7	-53.8	-40.7	0	0	0	109.7	P664 R671 N672 H893 T931 G933	P664-N667 PolarHBondContact O-N 3.21Å; P664-N667 VanDerWaalsContact O-N 3.14Å; N667-R671 HydrophobicContact CB-CB 4.37Å; N667-N672 WeakPolarHBondContact CB-OD1 3.44Å; N667-N672 PolarHBondContact ND2-OD1 2.84Å; N667-H893 PolarHBondContact ND2-ND1 3.16Å; N667-H893 PolarHBondContact OD1-ND1 3.41Å; N667-T931 WeakPolarHBondContact OD1-CA 3.21Å; N667-G933 WeakPolarHBondContact OD1-CA 3.02Å; N667-G933 PolarHBondContact OD1-N 2.92Å
668	Q	95.5	Very high	95.6	Very high	85 Å²	85	27.4 Å²	27.4	40%	0.397	15%	0.149	S	C	.	.			trans	-64	142.6	168.2	-157.7	-170.9	3.5	0	0	110.9	P670 R671 M930	Q668-P670 VanDerWaalsContact C-CD 3.44Å; Q668-R671 HydrophobicContact CB-CG 4.49Å; Q668-R671 WeakPolarHBondContact O-CB 3.36Å; Q668-R671 PolarHBondContact O-N 3.21Å; Q668-M930 HydrophobicContact CB-CE 4.42Å; Q668-M930 HydrophobicContact CG-CE 4.11Å
669	A	94.4	Very high	95.5	Very high	69 Å²	69	27.5 Å²	27.5	57%	0.57	15%	0.15	S	C	*	.	H	α-helix	trans	-49	-44.5	-174.9	0	0	0	0	0	115.6	R671 N672 T673	A669-R671 PolarHBondContact O-N 3.39Å; A669-R671 VanDerWaalsContact O-N 3.16Å; A669-N672 WeakPolarHBondContact O-CB 3.43Å; A669-N672 PolarHBondContact O-N 3.21Å; A669-T673 PolarHBondContact O-N 2.95Å; A669-T673 PolarHBondContact O-OG1 2.77Å
670	P	95.2	Very high	95.4	Very high	52 Å²	52	28.7 Å²	28.7	34%	0.338	16%	0.155	S	C	.	.	H	α-helix	trans	-59.7	-31	179.8	-24.5	35.3	0	0	0	113.5	Q668 N672 T673 Y674	Q668-P670 VanDerWaalsContact C-CD 3.44Å; P670-N672 VanDerWaalsContact C-N 3.32Å; P670-N672 PolarHBondContact O-N 3.1Å; P670-T673 PolarHBondContact O-N 3.32Å; P670-Y674 HydrophobicContact CB-CE2 4.24Å; P670-Y674 VanDerWaalsContact O-CD2 3.28Å; P670-Y674 WeakPolarHBondContact O-CD2 3.37Å; P670-Y674 PolarHBondContact O-N 3.4Å
671	R	95.7	Very high	95.4	Very high	37 Å²	37	31.1 Å²	31.1	14%	0.14	17%	0.166	C	C	.	.	H	α-helix	trans	-67.3	-36.7	179.2	-60.3	-68.5	161.7	-157.7	-9.5	111.6	N667 Q668 A669 Q675 R929 T931	N667-R671 HydrophobicContact CB-CB 4.37Å; Q668-R671 HydrophobicContact CB-CG 4.49Å; Q668-R671 WeakPolarHBondContact O-CB 3.36Å; Q668-R671 PolarHBondContact O-N 3.21Å; A669-R671 PolarHBondContact O-N 3.39Å; A669-R671 VanDerWaalsContact O-N 3.16Å; R671-Q675 PolarHBondContact O-N 3.06Å; R671-R929 VanDerWaalsContact CZ-CG 3.47Å; R671-T931 HydrophobicContact CB-CG2 4.06Å; R671-T931 HydrophobicContact CG-CG2 3.63Å
672	N	96.5	Very high	95.2	Very high	19 Å²	19	31.1 Å²	31.1	10%	0.102	17%	0.166	C	C	.	.	H	α-helix	trans	-67.5	-42.8	175.3	-62.6	-26.6	0	0	0	110.4	A471 I661 P664 N667 A669 P670 Y674 Q675 C676	A471-N672 HydrophobicContact CB-CB 4.14Å; I661-N672 HydrophobicContact CD1-CB 3.73Å; P664-N672 PolarHBondContact O-ND2 2.97Å; N667-N672 WeakPolarHBondContact CB-OD1 3.44Å; N667-N672 PolarHBondContact ND2-OD1 2.84Å; A669-N672 WeakPolarHBondContact O-CB 3.43Å; A669-N672 PolarHBondContact O-N 3.21Å; P670-N672 VanDerWaalsContact C-N 3.32Å; P670-N672 PolarHBondContact O-N 3.1Å; N672-Y674 PolarHBondContact O-N 2.93Å; N672-Q675 PolarHBondContact O-N 3.43Å; N672-C676 PolarHBondContact O-N 3.38Å; N672-C676 PolarHBondContact O-SG 3.04Å
673	T	96.4	Very high	95.1	Very high	25 Å²	25	31.2 Å²	31.2	15%	0.153	17%	0.166	C	C	.	.	H	α-helix	trans	-60.5	-45.5	174.7	-55.3	0	0	0	0	112.6	A471 T473 A669 P670 Q675 C676 A677	A471-T673 VanDerWaalsContact O-CA 3.3Å; A471-T673 WeakPolarHBondContact O-CA 3.45Å; A471-T673 WeakPolarHBondContact O-CB 3.36Å; A471-T673 PolarHBondContact O-OG1 2.89Å; T473-T673 HydrophobicContact CG2-CG2 3.82Å; T473-T673 WeakPolarHBondContact O-CG2 3.49Å; A669-T673 PolarHBondContact O-N 2.95Å; A669-T673 PolarHBondContact O-OG1 2.77Å; P670-T673 PolarHBondContact O-N 3.32Å; T673-Q675 VanDerWaalsContact C-N 3.3Å; T673-Q675 PolarHBondContact O-N 3.48Å; T673-C676 WeakPolarHBondContact O-CB 3.43Å; T673-C676 PolarHBondContact O-N 3.44Å; T673-A677 PolarHBondContact O-N 3.42Å
674	Y	95.8	Very high	94.8	Very high	61 Å²	61	31 Å²	31	24%	0.239	17%	0.165	C	C	.	.	H	α-helix	trans	-60	-41.7	175.3	-64.4	-24.2	0	0	0	112	E475 P670 N672 C676 A677 M678	E475-Y674 HydrophobicContact CG-CE1 4.27Å; E475-Y674 VanDerWaalsContact OE1-CE1 3.29Å; E475-Y674 WeakPolarHBondContact OE1-CE1 3.26Å; E475-Y674 PolarHBondContact OE1-OH 3.15Å; E475-Y674 VanDerWaalsContact OE2-CE1 3.26Å; E475-Y674 WeakPolarHBondContact OE2-CE1 3.49Å; P670-Y674 HydrophobicContact CB-CE2 4.24Å; P670-Y674 VanDerWaalsContact O-CD2 3.28Å; P670-Y674 WeakPolarHBondContact O-CD2 3.37Å; P670-Y674 PolarHBondContact O-N 3.4Å; N672-Y674 PolarHBondContact O-N 2.93Å; Y674-C676 VanDerWaalsContact C-N 3.35Å; Y674-C676 PolarHBondContact O-N 2.95Å; Y674-A677 PolarHBondContact O-N 3.08Å; Y674-M678 WeakPolarHBondContact O-CB 3.26Å; Y674-M678 VanDerWaalsContact O-CG 3.23Å; Y674-M678 WeakPolarHBondContact O-CG 3.32Å; Y674-M678 PolarHBondContact O-N 3.34Å
675	Q	96.6	Very high	94.6	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-63.5	-40.6	177.3	-176.6	58.1	33.2	0	0	112.4	I661 R671 N672 T673 A677 M678 G679 S891 R892 Q1002	I661-Q675 HydrophobicContact CD1-CB 3.78Å; I661-Q675 HydrophobicContact CD1-CG 3.99Å; I661-Q675 HydrophobicContact CG1-CB 4.13Å; I661-Q675 HydrophobicContact CG1-CG 3.76Å; R671-Q675 PolarHBondContact O-N 3.06Å; N672-Q675 PolarHBondContact O-N 3.43Å; T673-Q675 VanDerWaalsContact C-N 3.3Å; T673-Q675 PolarHBondContact O-N 3.48Å; Q675-A677 VanDerWaalsContact C-N 3.26Å; Q675-A677 PolarHBondContact O-N 2.78Å; Q675-M678 PolarHBondContact O-N 3.29Å; Q675-G679 PolarHBondContact O-N 2.85Å; Q675-S891 PolarHBondContact OE1-O 3.39Å; Q675-R892 VanDerWaalsContact CD-C 3.42Å; Q675-R892 VanDerWaalsContact CD-CA 3.48Å; Q675-R892 VanDerWaalsContact CG-O 3.28Å; Q675-R892 WeakPolarHBondContact CG-O 3.37Å; Q675-R892 VanDerWaalsContact OE1-C 3.23Å; Q675-Q1002 VanDerWaalsContact NE2-OE1 3.1Å
676	C	95.8	Very high	94.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-57	-42.3	176.7	-67.9	0	0	0	0	111.6	D472 C657 A658 N672 T673 Y674 K680	D472-C676 HydrophobicContact CB-CB 4.27Å; D472-C676 WeakPolarHBondContact OD1-CB 3.49Å; C657-C676 HydrophobicContact CB-CB 4.34Å; A658-C676 VanDerWaalsContact CA-SG 3.59Å; N672-C676 PolarHBondContact O-N 3.38Å; N672-C676 PolarHBondContact O-SG 3.04Å; T673-C676 WeakPolarHBondContact O-CB 3.43Å; T673-C676 PolarHBondContact O-N 3.44Å; Y674-C676 VanDerWaalsContact C-N 3.35Å; Y674-C676 PolarHBondContact O-N 2.95Å; C676-K680 WeakPolarHBondContact O-CG 3.48Å; C676-K680 PolarHBondContact O-N 2.87Å
677	A	94.3	Very high	94.2	Very high	29 Å²	29	26.9 Å²	26.9	24%	0.24	15%	0.146	C	C	.	.	H	α-helix	trans	-68.9	-42.5	176	0	0	0	0	0	112.6	T673 Y674 Q675 K680 Q681	T673-A677 PolarHBondContact O-N 3.42Å; Y674-A677 PolarHBondContact O-N 3.08Å; Q675-A677 VanDerWaalsContact C-N 3.26Å; Q675-A677 PolarHBondContact O-N 2.78Å; A677-K680 PolarHBondContact O-N 3.43Å; A677-Q681 WeakPolarHBondContact O-CG 3.39Å; A677-Q681 PolarHBondContact O-N 3.23Å
678	M	94.8	Very high	94	Very high	19 Å²	19	29.6 Å²	29.6	9%	0.094	17%	0.165	C	C	.	.	H	α-helix	trans	-69	-40.4	-179.7	-68.6	172.5	-171.1	0	0	112.3	Y674 Q675 K680 Q681 A682 S890 K896 L1004	Y674-M678 WeakPolarHBondContact O-CB 3.26Å; Y674-M678 VanDerWaalsContact O-CG 3.23Å; Y674-M678 WeakPolarHBondContact O-CG 3.32Å; Y674-M678 PolarHBondContact O-N 3.34Å; Q675-M678 PolarHBondContact O-N 3.29Å; M678-K680 VanDerWaalsContact C-N 3.27Å; M678-K680 PolarHBondContact O-N 3.24Å; M678-Q681 CarbonylContact O-C 3.57Å; M678-Q681 WeakPolarHBondContact O-CA 3.43Å; M678-Q681 WeakPolarHBondContact O-CB 3.41Å; M678-Q681 PolarHBondContact O-N 3.26Å; M678-A682 PolarHBondContact O-N 3.47Å; M678-S890 PolarHBondContact SD-OG 2.8Å; M678-S890 VanDerWaalsContact SD-OG 3.32Å; M678-K896 HydrophobicContact CE-CB 3.71Å; M678-K896 HydrophobicContact CE-CD 3.74Å; M678-K896 HydrophobicContact CE-CG 3.82Å; M678-K896 HydrophobicContact SD-CB 4.04Å; M678-L1004 HydrophobicContact CB-CD2 4.4Å
679	G	93.2	Very high	93.8	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.01	15%	0.15	C	C	.	.	H	α-helix	trans	-61.6	-33.8	177.4	0	0	0	0	0	112.8	Q675 Q681 A682	Q675-G679 PolarHBondContact O-N 2.85Å; G679-Q681 VanDerWaalsContact C-N 3.28Å; G679-Q681 PolarHBondContact O-N 2.89Å; G679-A682 PolarHBondContact O-N 2.95Å
680	K	93.4	Very high	93.7	Very high	27 Å²	27	24.4 Å²	24.4	12%	0.117	13%	0.13	C	C	.	.	H	α-helix	trans	-68.4	-25.6	171.1	-68.6	169.1	-178.6	171.7	0	112.7	L432 S436 D472 C657 C676 A677 M678	L432-K680 WeakPolarHBondContact CD1-O 3.47Å; S436-K680 WeakPolarHBondContact CB-O 3.35Å; D472-K680 IonicContact OD1-NZ 3.52Å; D472-K680 PolarHBondContact OD1-NZ 3.26Å; D472-K680 IonicContact OD2-NZ 3.45Å; D472-K680 PolarHBondContact OD2-NZ 3.44Å; C657-K680 WeakPolarHBondContact SG-CE 3.43Å; C676-K680 WeakPolarHBondContact O-CG 3.48Å; C676-K680 PolarHBondContact O-N 2.87Å; A677-K680 PolarHBondContact O-N 3.43Å; M678-K680 VanDerWaalsContact C-N 3.27Å; M678-K680 PolarHBondContact O-N 3.24Å
681	Q	93.1	Very high	93.4	Very high	59 Å²	59	28.8 Å²	28.8	28%	0.276	15%	0.146	S	C	.	.	H	α-helix	trans	-93.8	-9.8	179.5	-64.2	-179.6	15.3	0	0	114	A677 M678 G679 L1004 K1005	A677-Q681 WeakPolarHBondContact O-CG 3.39Å; A677-Q681 PolarHBondContact O-N 3.23Å; M678-Q681 CarbonylContact O-C 3.57Å; M678-Q681 WeakPolarHBondContact O-CA 3.43Å; M678-Q681 WeakPolarHBondContact O-CB 3.41Å; M678-Q681 PolarHBondContact O-N 3.26Å; G679-Q681 VanDerWaalsContact C-N 3.28Å; G679-Q681 PolarHBondContact O-N 2.89Å; Q681-L1004 HydrophobicContact CB-CD2 4.48Å; Q681-K1005 HydrophobicContact CB-CG 4.49Å; Q681-K1005 PolarHBondContact O-N 2.91Å; Q681-K1005 VanDerWaalsContact O-N 3.12Å
682	A	94.1	Very high	93.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-62.9	134.4	178.1	0	0	0	0	0	110.3	M678 G679 A724 Q1002 L1004	M678-A682 PolarHBondContact O-N 3.47Å; G679-A682 PolarHBondContact O-N 2.95Å; A682-A724 HydrophobicContact CB-CB 4.4Å; A682-Q1002 HydrophobicContact CB-CB 3.91Å; A682-Q1002 HydrophobicContact CB-CG 4.28Å; A682-L1004 HydrophobicContact CB-CD2 4.44Å
683	M	93.4	Very high	92.9	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	15%	0.154	C	C	.	.			trans	-72.2	142.5	169.4	-57.1	-176.8	-176.6	0	0	108.9	Y699 L701 A724 C758 K1003 L1004 M1007	M683-Y699 HydrophobicContact CE-CD1 3.63Å; M683-Y699 HydrophobicContact CE-CE1 3.99Å; M683-Y699 HydrophobicContact CE-CG 4.17Å; M683-Y699 HydrophobicContact CG-CD1 4.5Å; M683-Y699 HydrophobicContact CG-CG 4.16Å; M683-Y699 HydrophobicContact SD-CD1 4.06Å; M683-Y699 HydrophobicContact SD-CG 4.27Å; M683-L701 HydrophobicContact CB-CD2 4.44Å; M683-L701 HydrophobicContact CB-CG 4.22Å; M683-L701 VanDerWaalsContact O-CD1 3.31Å; M683-L701 WeakPolarHBondContact O-CD1 3.06Å; M683-A724 CarbonylContact O-C 3.6Å; M683-A724 VanDerWaalsContact O-O 3.08Å; M683-C758 HydrophobicContact SD-CB 3.8Å; M683-K1003 PolarHBondContact N-O 3.28Å; M683-L1004 WeakPolarHBondContact CE-O 3.38Å; M683-M1007 HydrophobicContact CE-CE 3.48Å; M683-M1007 VanDerWaalsContact CE-CE 3.48Å; M683-M1007 HydrophobicContact CE-CG 4.08Å; M683-M1007 HydrophobicContact CE-SD 3.74Å
684	G	91.2	Very high	92.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.153	C	C	.	.			trans	-164	-166.9	178.3	0	0	0	0	0	112
685	F	90.2	Very high	92.4	Very high	58 Å²	58	28 Å²	28	25%	0.254	15%	0.151	S	C	.	.			trans	-75.8	129.9	166.9	-143	-86.8	0	0	0	109.1	Y434 A687 Q690 L722 P723	Y434-F685 PolarHBondContact N-O 2.7Å; F685-A687 WeakPolarHBondContact CE1-O 3.49Å; F685-Q690 HydrophobicContact CE1-CG 4.13Å; F685-Q690 HydrophobicContact CZ-CG 4.13Å; F685-L722 HydrophobicContact CB-CB 4.35Å; F685-L722 HydrophobicContact CB-CD2 4.41Å; F685-L722 HydrophobicContact CD1-CD2 3.61Å; F685-L722 HydrophobicContact CE1-CD2 4.15Å; F685-L722 HydrophobicContact CG-CD2 4.28Å; F685-P723 PolarHBondContact N-O 3.09Å
686	V	91.6	Very high	92.2	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.012	19%	0.185	C	C	.	.			trans	-87.6	-50.2	-177.6	176.8	0	0	0	0	110.9	R431 L698	R431-V686 HydrophobicContact CB-CG1 4.01Å; R431-V686 HydrophobicContact CG-CG1 4.38Å; V686-L698 HydrophobicContact CB-CD1 4.5Å; V686-L698 HydrophobicContact CG2-CD1 4.28Å; V686-L698 HydrophobicContact CG2-CG 4.19Å
687	A	91.4	Very high	92	Very high	5 Å²	5	36 Å²	36	4%	0.041	20%	0.202	C	C	.	.			trans	-166.1	155.4	-176.8	0	0	0	0	0	109.8	C164 F685 N689 Q690	C164-A687 HydrophobicContact CB-CB 3.87Å; F685-A687 WeakPolarHBondContact CE1-O 3.49Å; A687-N689 WeakPolarHBondContact CB-OD1 3.36Å; A687-N689 PolarHBondContact O-N 2.86Å; A687-N689 VanDerWaalsContact O-N 3.14Å; A687-Q690 WeakPolarHBondContact O-CB 3.42Å; A687-Q690 WeakPolarHBondContact O-CG 3.32Å; A687-Q690 PolarHBondContact O-N 3.17Å
688	C	91	Very high	92	Very high	71 Å²	71	35.1 Å²	35.1	48%	0.48	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-32.7	178.2	-59	0	0	0	0	113.3	C164 Q690	C164-C688 HydrophobicContact CB-CB 4.34Å; C164-C688 PolarHBondContact SG-N 3.01Å; C164-C688 VanDerWaalsContact SG-SG 3.63Å; C688-Q690 VanDerWaalsContact C-N 3.34Å; C688-Q690 PolarHBondContact O-N 3.38Å
689	N	92.4	Very high	92	Very high	12 Å²	12	35 Å²	35	6%	0.064	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	10.6	-179.1	67.8	-12.9	0	0	0	114.4	K162 A687 Q691 C692 R693	K162-N689 VanDerWaalsContact O-CB 3.3Å; K162-N689 WeakPolarHBondContact O-CB 3.46Å; K162-N689 PolarHBondContact O-ND2 3.17Å; A687-N689 WeakPolarHBondContact CB-OD1 3.36Å; A687-N689 PolarHBondContact O-N 2.86Å; A687-N689 VanDerWaalsContact O-N 3.14Å; N689-Q691 PolarHBondContact O-N 2.59Å; N689-C692 PolarHBondContact O-N 2.78Å; N689-R693 WeakPolarHBondContact O-CG 3.32Å; N689-R693 PolarHBondContact O-N 3.14Å; N689-R693 WeakPolarHBondContact OD1-CD 3.49Å
690	Q	91	Very high	91.9	Very high	34 Å²	34	35 Å²	35	16%	0.159	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-29.4	-175.6	66.5	179.5	13.3	0	0	114.2	F685 A687 C688 L698	F685-Q690 HydrophobicContact CE1-CG 4.13Å; F685-Q690 HydrophobicContact CZ-CG 4.13Å; A687-Q690 WeakPolarHBondContact O-CB 3.42Å; A687-Q690 WeakPolarHBondContact O-CG 3.32Å; A687-Q690 PolarHBondContact O-N 3.17Å; C688-Q690 VanDerWaalsContact C-N 3.34Å; C688-Q690 PolarHBondContact O-N 3.38Å; Q690-L698 HydrophobicContact CB-CD1 4.2Å
691	Q	89.8	Confident	92	Very high	143 Å²	143	34.3 Å²	34.3	67%	0.668	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-35.5	175.6	-69.3	-178.1	-16.1	0	0	112	N689 R693 K860	N689-Q691 PolarHBondContact O-N 2.59Å; Q691-R693 VanDerWaalsContact C-N 3.3Å; Q691-K860 WeakPolarHBondContact O-CE 3.13Å; Q691-K860 PolarHBondContact O-NZ 3.09Å
692	C	90.1	Very high	92	Very high	57 Å²	57	34.3 Å²	34.3	39%	0.385	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-16.7	-180	-61.7	0	0	0	0	112.9	H103 N689	H103-C692 PolarHBondContact CE1-O 3.2Å; N689-C692 PolarHBondContact O-N 2.78Å
693	R	91	Very high	92.1	Very high	10 Å²	10	41 Å²	41	4%	0.038	22%	0.219	C	C	.	.			trans	-83.5	154.9	-175.7	-69.2	178.9	63.3	99.5	9	112.6	R106 E178 N689 Q691 D695	R106-R693 VanDerWaalsContact CZ-NH1 3.34Å; E178-R693 IonicContact OE1-CZ 3.36Å; E178-R693 VanDerWaalsContact OE1-CZ 3.26Å; E178-R693 IonicContact OE1-NH1 3.48Å; E178-R693 PolarHBondContact OE1-NH1 3.46Å; E178-R693 IonicContact OE1-NH2 2.96Å; E178-R693 PolarHBondContact OE1-NH2 3.48Å; E178-R693 IonicContact OE2-NH2 3.55Å; N689-R693 WeakPolarHBondContact O-CG 3.32Å; N689-R693 PolarHBondContact O-N 3.14Å; N689-R693 WeakPolarHBondContact OD1-CD 3.49Å; Q691-R693 VanDerWaalsContact C-N 3.3Å; R693-D695 IonicContact CZ-OD1 3.27Å; R693-D695 IonicContact CZ-OD2 3.84Å; R693-D695 IonicContact NE-OD1 3.67Å; R693-D695 IonicContact NE-OD2 3.44Å; R693-D695 PolarHBondContact NE-OD2 3.04Å; R693-D695 IonicContact NH2-OD1 2.68Å; R693-D695 PolarHBondContact NH2-OD1 3Å; R693-D695 IonicContact NH2-OD2 3.04Å; R693-D695 PolarHBondContact NH2-OD2 3.06Å
694	V	92	Very high	92.1	Very high	21 Å²	21	42.8 Å²	42.8	13%	0.127	23%	0.232	C	C	.	.			trans	-126.5	88.3	172.2	-177	0	0	0	0	108.2	L107 K874 L876	L107-V694 HydrophobicContact CD2-CB 4.04Å; L107-V694 HydrophobicContact CD2-CG2 3.85Å; V694-K874 HydrophobicContact CG1-CB 4.21Å; V694-K874 HydrophobicContact CG1-CD 4.09Å; V694-L876 HydrophobicContact CG1-CD1 4.45Å
695	D	90.8	Very high	92.3	Very high	38 Å²	38	46.8 Å²	46.8	20%	0.203	25%	0.25	C	S	.	.			trans	-97.5	161.5	177.3	-68.8	-51.5	0	0	0	111.1	R693 S763	R693-D695 IonicContact CZ-OD1 3.27Å; R693-D695 IonicContact CZ-OD2 3.84Å; R693-D695 IonicContact NE-OD1 3.67Å; R693-D695 IonicContact NE-OD2 3.44Å; R693-D695 PolarHBondContact NE-OD2 3.04Å; R693-D695 IonicContact NH2-OD1 2.68Å; R693-D695 PolarHBondContact NH2-OD1 3Å; R693-D695 IonicContact NH2-OD2 3.04Å; R693-D695 PolarHBondContact NH2-OD2 3.06Å; D695-S763 WeakPolarHBondContact O-CB 3.44Å; D695-S763 PolarHBondContact O-OG 2.99Å
696	S	91.3	Very high	92.4	Very high	101 Å²	101	48.9 Å²	48.9	71%	0.706	26%	0.259	S	S	*	.	S	Bend	trans	-64.7	-40.1	179.3	-59.6	0	0	0	0	113	R762 S763	S696-R762 WeakPolarHBondContact O-CA 3.41Å; S696-S763 VanDerWaalsContact CA-OG 3.31Å; S696-S763 WeakPolarHBondContact CA-OG 3.34Å; S696-S763 PolarHBondContact O-N 3.35Å
697	L	92.4	Very high	92.6	Very high	69 Å²	69	49.1 Å²	49.1	36%	0.361	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	123.8	177.4	177.4	67.5	0	0	0	108.3	Y699 V760 H761 R762	L697-Y699 HydrophobicContact CD1-CE1 4.35Å; L697-Y699 HydrophobicContact CD1-CE2 4.24Å; L697-Y699 HydrophobicContact CD2-CE2 3.65Å; L697-Y699 HydrophobicContact CG-CD2 4.45Å; L697-Y699 HydrophobicContact CG-CE2 3.89Å; L697-V760 HydrophobicContact CD1-CG1 3.86Å; L697-H761 WeakPolarHBondContact CA-O 3.31Å; L697-R762 HydrophobicContact CD1-CG 3.72Å
698	L	93.6	Very high	92.8	Very high	10 Å²	10	50.8 Å²	50.8	5%	0.052	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	127.8	175	-173.6	149.9	0	0	0	109.3	V686 Q690 H761	V686-L698 HydrophobicContact CB-CD1 4.5Å; V686-L698 HydrophobicContact CG2-CD1 4.28Å; V686-L698 HydrophobicContact CG2-CG 4.19Å; Q690-L698 HydrophobicContact CB-CD1 4.2Å; L698-H761 HydrophobicContact CB-CB 4.31Å; L698-H761 PolarHBondContact N-O 2.85Å; L698-H761 PolarHBondContact O-N 3.25Å
699	Y	94.4	Very high	93	Very high	16 Å²	16	47.5 Å²	47.5	6%	0.063	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	130	172.9	-64.7	-74	0	0	0	109.1	L432 M683 L697 V760 K1005 M1007	L432-Y699 HydrophobicContact CD2-CD2 3.61Å; L432-Y699 HydrophobicContact CD2-CE2 3.9Å; M683-Y699 HydrophobicContact CE-CD1 3.63Å; M683-Y699 HydrophobicContact CE-CE1 3.99Å; M683-Y699 HydrophobicContact CE-CG 4.17Å; M683-Y699 HydrophobicContact CG-CD1 4.5Å; M683-Y699 HydrophobicContact CG-CG 4.16Å; M683-Y699 HydrophobicContact SD-CD1 4.06Å; M683-Y699 HydrophobicContact SD-CG 4.27Å; L697-Y699 HydrophobicContact CD1-CE1 4.35Å; L697-Y699 HydrophobicContact CD1-CE2 4.24Å; L697-Y699 HydrophobicContact CD2-CE2 3.65Å; L697-Y699 HydrophobicContact CG-CD2 4.45Å; L697-Y699 HydrophobicContact CG-CE2 3.89Å; Y699-V760 HydrophobicContact CD1-CB 4.46Å; Y699-V760 HydrophobicContact CD1-CG1 4.19Å; Y699-V760 HydrophobicContact CD1-CG2 3.89Å; Y699-V760 HydrophobicContact CE1-CB 4.46Å; Y699-V760 HydrophobicContact CE1-CG1 3.85Å; Y699-V760 HydrophobicContact CE1-CG2 3.91Å; Y699-K1005 HydrophobicContact CD2-CB 4.35Å; Y699-K1005 HydrophobicContact CE2-CB 4Å; Y699-M1007 HydrophobicContact CD1-CE 4.13Å; Y699-M1007 HydrophobicContact CE1-CE 3.48Å; Y699-M1007 VanDerWaalsContact CE1-CE 3.48Å
700	G	92.5	Very high	93.1	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	145.8	172.6	0	0	0	0	0	111	C758 T759	G700-C758 CarbonylContact O-C 3.5Å; G700-C758 VanDerWaalsContact O-CA 3.22Å; G700-C758 WeakPolarHBondContact O-CA 3.39Å; G700-C758 WeakPolarHBondContact O-CB 3.35Å; G700-T759 PolarHBondContact N-O 2.87Å; G700-T759 PolarHBondContact O-N 2.79Å; G700-T759 PolarHBondContact O-OG1 3.35Å
701	L	94	Very high	93.3	Very high	12 Å²	12	46.2 Å²	46.2	6%	0.063	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	139.6	162.8	-71.9	174.6	0	0	0	108.8	M683 C758 K1003	M683-L701 HydrophobicContact CB-CD2 4.44Å; M683-L701 HydrophobicContact CB-CG 4.22Å; M683-L701 VanDerWaalsContact O-CD1 3.31Å; M683-L701 WeakPolarHBondContact O-CD1 3.06Å; L701-C758 HydrophobicContact CD2-CB 4.21Å; L701-K1003 HydrophobicContact CD2-CB 4.28Å
702	V	94.3	Very high	93.4	Very high	59 Å²	59	40.4 Å²	40.4	36%	0.358	21%	0.212	S	C	.	.	S	Bend	trans	-72.8	-45.5	179.7	-179.6	0	0	0	0	110.8	R757 T759	V702-R757 HydrophobicContact CB-CB 4.41Å; V702-R757 HydrophobicContact CG2-CB 4.24Å; V702-R757 HydrophobicContact CG2-CG 4Å; V702-R757 PolarHBondContact N-O 2.97Å; V702-T759 HydrophobicContact CG2-CG2 3.93Å
703	Y	95.1	Very high	93.6	Very high	140 Å²	140	37.9 Å²	37.9	55%	0.549	20%	0.195	S	C	.	.	S	Bend	trans	-123.1	80	-178.8	-55.7	-66	0	0	0	110.1	T726	Y703-T726 WeakPolarHBondContact O-CG2 3.49Å
704	S	93.3	Very high	93.7	Very high	39 Å²	39	37.6 Å²	37.6	27%	0.273	19%	0.194	S	C	.	.			trans	-79.1	142.6	173	58.1	0	0	0	0	110.8
705	Q	94.9	Very high	93.7	Very high	84 Å²	84	39 Å²	39	39%	0.393	20%	0.201	S	C	.	.			trans	-123.5	157.1	-178.8	-62.3	179	-7.9	0	0	111.1	P723 G725 N727 Y1000	Q705-P723 WeakPolarHBondContact O-CB 3.41Å; Q705-P723 WeakPolarHBondContact O-CG 3.43Å; Q705-G725 PolarHBondContact N-O 2.9Å; Q705-N727 PolarHBondContact OE1-ND2 3Å; Q705-N727 VanDerWaalsContact OE1-ND2 3.08Å; Q705-Y1000 VanDerWaalsContact O-CE2 3.32Å; Q705-Y1000 WeakPolarHBondContact O-CE2 3.35Å; Q705-Y1000 PolarHBondContact O-OH 3.35Å
706	K	94.2	Very high	93.7	Very high	102 Å²	102	38.8 Å²	38.8	44%	0.443	20%	0.2	S	C	.	.			trans	-74.3	145.2	172.5	-63.3	172.6	164.1	-157.2	0	110.3	E720 N727	K706-E720 HydrophobicContact CB-CG 4.16Å; K706-E720 HydrophobicContact CD-CG 3.7Å; K706-E720 VanDerWaalsContact CD-OE1 3.22Å; K706-E720 WeakPolarHBondContact CD-OE1 3.48Å; K706-E720 VanDerWaalsContact CE-OE1 3.27Å; K706-E720 WeakPolarHBondContact CE-OE1 3.3Å; K706-E720 HydrophobicContact CG-CG 3.75Å; K706-E720 IonicContact NZ-OE1 3.92Å; K706-E720 PolarHBondContact NZ-OE1 3.28Å; K706-N727 PolarHBondContact O-ND2 3.24Å
707	P	95	Very high	93.5	Very high	7 Å²	7	34.8 Å²	34.8	5%	0.045	17%	0.17	C	C	.	.			trans	-68.4	135.8	174.4	27.8	-32.8	0	0	0	111.1	K710 I714 Q950 Y1000	P707-K710 HydrophobicContact CG-CB 4.35Å; P707-I714 HydrophobicContact CG-CD1 4.24Å; P707-Q950 PolarHBondContact O-NE2 3.18Å; P707-Y1000 HydrophobicContact CB-CD2 3.89Å; P707-Y1000 HydrophobicContact CB-CE2 4.15Å; P707-Y1000 HydrophobicContact CB-CG 4.13Å
708	M	94.9	Very high	93.3	Very high	41 Å²	41	33.9 Å²	33.9	20%	0.202	17%	0.17	C	C	.	.	S	Bend	trans	-72.2	-31	176.6	-70	-51.8	-53.2	0	0	113.3	N727 V945 Q950 R951	M708-N727 PolarHBondContact N-OD1 2.83Å; M708-V945 HydrophobicContact CE-CG2 3.69Å; M708-V945 HydrophobicContact CG-CG2 3.92Å; M708-V945 HydrophobicContact SD-CG2 4.11Å; M708-Q950 HydrophobicContact CE-CG 4.47Å; M708-R951 PolarHBondContact O-N 2.9Å
709	V	96	Very high	93	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.012	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	106	171	-175.7	0	0	0	0	107.9	P662 Y663 R892 E937 A940 R951	P662-V709 HydrophobicContact CB-CG1 3.89Å; Y663-V709 HydrophobicContact CE2-CG1 4.07Å; V709-R892 PolarHBondContact O-NH1 3.45Å; V709-R892 PolarHBondContact O-NH2 2.86Å; V709-E937 HydrophobicContact CB-CG 4.01Å; V709-E937 HydrophobicContact CG2-CG 3.94Å; V709-E937 WeakPolarHBondContact CG2-O 3.41Å; V709-A940 HydrophobicContact CG1-CB 4.47Å; V709-A940 HydrophobicContact CG2-CB 3.74Å; V709-R951 CarbonylContact C-O 3.6Å; V709-R951 WeakPolarHBondContact CA-O 3.5Å
710	K	94.7	Very high	92.8	Very high	17 Å²	17	34.5 Å²	34.5	7%	0.074	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	167.2	-178.7	64	-175.4	-171.4	161.5	0	111.2	P707 I714 D715 E720 Q950 R951 Y952 G953	P707-K710 HydrophobicContact CG-CB 4.35Å; K710-I714 HydrophobicContact CB-CD1 4.39Å; K710-I714 HydrophobicContact CB-CG2 4.41Å; K710-D715 VanDerWaalsContact CD-OD1 3.31Å; K710-D715 WeakPolarHBondContact CD-OD1 3.33Å; K710-D715 VanDerWaalsContact CE-OD1 3.28Å; K710-D715 WeakPolarHBondContact CE-OD1 3.16Å; K710-D715 WeakPolarHBondContact CE-OD2 3.2Å; K710-D715 VanDerWaalsContact NZ-CG 3.33Å; K710-D715 IonicContact NZ-OD1 3.39Å; K710-D715 PolarHBondContact NZ-OD1 3.25Å; K710-D715 IonicContact NZ-OD2 2.87Å; K710-D715 PolarHBondContact NZ-OD2 3.43Å; K710-E720 IonicContact NZ-OE2 3.74Å; K710-E720 PolarHBondContact NZ-OE2 2.84Å; K710-Q950 HydrophobicContact CD-CB 4.3Å; K710-R951 PolarHBondContact N-O 2.78Å; K710-Y952 HydrophobicContact CD-CE1 4.41Å; K710-Y952 VanDerWaalsContact CE-OH 3.3Å; K710-Y952 WeakPolarHBondContact CE-OH 3.44Å; K710-Y952 HydrophobicContact CG-CD1 4.17Å; K710-Y952 HydrophobicContact CG-CE1 3.92Å; K710-Y952 CarbonylContact O-C 3.48Å; K710-Y952 VanDerWaalsContact O-CA 3.3Å; K710-Y952 WeakPolarHBondContact O-CA 3.41Å; K710-G953 PolarHBondContact O-N 2.85Å
711	T	95.1	Very high	92.8	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	20%	0.196	C	C	.	.			trans	-111.1	155.4	172.1	58	0	0	0	0	107.7	G659 I661 T713 I714	G659-T711 WeakPolarHBondContact O-CB 3.48Å; G659-T711 WeakPolarHBondContact O-CG2 3.5Å; G659-T711 PolarHBondContact O-OG1 3.19Å; I661-T711 WeakPolarHBondContact O-CG2 3.49Å; T711-T713 PolarHBondContact O-N 3.44Å; T711-T713 VanDerWaalsContact O-N 3.15Å; T711-I714 WeakPolarHBondContact O-CB 3.41Å; T711-I714 PolarHBondContact O-N 2.93Å; T711-I714 WeakPolarHBondContact OG1-CG1 3.49Å; T711-I714 PolarHBondContact OG1-N 3.23Å
712	K	92.5	Very high	92.7	Very high	22 Å²	22	38 Å²	38	10%	0.096	20%	0.195	C	C	.	.	H	α-helix	trans	-54.4	-34.1	172.7	-74.4	-176.6	173.2	-179.6	0	111.3	W34 F651 I714 D715 L716 Y952 T954 H957	W34-K712 HydrophobicContact CD2-CD 4.35Å; W34-K712 HydrophobicContact CE3-CD 4.26Å; F651-K712 HydrophobicContact CE1-CD 4.46Å; F651-K712 HydrophobicContact CZ-CB 4.4Å; K712-I714 VanDerWaalsContact C-N 3.32Å; K712-I714 PolarHBondContact O-N 2.98Å; K712-D715 WeakPolarHBondContact O-CB 3.4Å; K712-D715 PolarHBondContact O-N 3.38Å; K712-D715 VanDerWaalsContact O-N 3.15Å; K712-L716 VanDerWaalsContact O-CG 3.32Å; K712-L716 WeakPolarHBondContact O-CG 3.39Å; K712-L716 PolarHBondContact O-N 3.49Å; K712-Y952 HydrophobicContact CG-CD1 4.21Å; K712-Y952 HydrophobicContact CG-CE1 4.21Å; K712-T954 HydrophobicContact CB-CG2 4.15Å; K712-T954 HydrophobicContact CD-CG2 4.49Å; K712-T954 HydrophobicContact CG-CG2 4.33Å; K712-T954 PolarHBondContact N-OG1 2.81Å; K712-H957 PolarHBondContact NZ-CD2 3.46Å; K712-H957 PolarHBondContact NZ-NE2 2.98Å
713	T	92.8	Very high	92.6	Very high	4 Å²	4	35.8 Å²	35.8	3%	0.025	18%	0.181	C	C	.	.	H	α-helix	trans	-60.7	-35.1	174.9	-44.6	0	0	0	0	113.7	L487 T711 D715 L716 L717	L487-T713 HydrophobicContact CD1-CG2 4.25Å; L487-T713 HydrophobicContact CD2-CG2 4.48Å; T711-T713 PolarHBondContact O-N 3.44Å; T711-T713 VanDerWaalsContact O-N 3.15Å; T713-D715 VanDerWaalsContact C-N 3.3Å; T713-D715 PolarHBondContact O-N 3.49Å; T713-L716 PolarHBondContact O-N 3.34Å; T713-L717 HydrophobicContact CG2-CD1 3.89Å; T713-L717 HydrophobicContact CG2-CG 4.34Å; T713-L717 WeakPolarHBondContact O-CB 3.31Å; T713-L717 WeakPolarHBondContact O-CG 3.16Å; T713-L717 PolarHBondContact O-N 2.6Å; T713-L717 VanDerWaalsContact O-N 3.15Å
714	I	94	Very high	92.5	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-64.8	-38	176.2	-74.1	168.1	0	0	0	111	L660 P707 K710 T711 K712 S718 I719 E720	L660-I714 HydrophobicContact CD2-CD1 4.32Å; L660-I714 HydrophobicContact CD2-CG1 3.88Å; P707-I714 HydrophobicContact CG-CD1 4.24Å; K710-I714 HydrophobicContact CB-CD1 4.39Å; K710-I714 HydrophobicContact CB-CG2 4.41Å; T711-I714 WeakPolarHBondContact O-CB 3.41Å; T711-I714 PolarHBondContact O-N 2.93Å; T711-I714 WeakPolarHBondContact OG1-CG1 3.49Å; T711-I714 PolarHBondContact OG1-N 3.23Å; K712-I714 VanDerWaalsContact C-N 3.32Å; K712-I714 PolarHBondContact O-N 2.98Å; I714-S718 PolarHBondContact O-N 3.16Å; I714-I719 HydrophobicContact CG2-CB 4.24Å; I714-I719 PolarHBondContact O-N 3.16Å; I714-I719 VanDerWaalsContact O-N 3.08Å; I714-E720 HydrophobicContact CG2-CB 4.19Å
715	D	91.5	Very high	92.5	Very high	50 Å²	50	27.3 Å²	27.3	27%	0.267	14%	0.143	S	C	.	.	H	α-helix	trans	-68.8	-48.6	176.9	-66.2	-16.1	0	0	0	110.7	K710 K712 T713 L717 S718 Y952	K710-D715 VanDerWaalsContact CD-OD1 3.31Å; K710-D715 WeakPolarHBondContact CD-OD1 3.33Å; K710-D715 VanDerWaalsContact CE-OD1 3.28Å; K710-D715 WeakPolarHBondContact CE-OD1 3.16Å; K710-D715 WeakPolarHBondContact CE-OD2 3.2Å; K710-D715 VanDerWaalsContact NZ-CG 3.33Å; K710-D715 IonicContact NZ-OD1 3.39Å; K710-D715 PolarHBondContact NZ-OD1 3.25Å; K710-D715 IonicContact NZ-OD2 2.87Å; K710-D715 PolarHBondContact NZ-OD2 3.43Å; K712-D715 WeakPolarHBondContact O-CB 3.4Å; K712-D715 PolarHBondContact O-N 3.38Å; K712-D715 VanDerWaalsContact O-N 3.15Å; T713-D715 VanDerWaalsContact C-N 3.3Å; T713-D715 PolarHBondContact O-N 3.49Å; D715-L717 PolarHBondContact O-N 3.16Å; D715-S718 PolarHBondContact O-N 2.96Å; D715-S718 VanDerWaalsContact O-N 3.08Å; D715-Y952 VanDerWaalsContact OD2-CE1 3.25Å; D715-Y952 WeakPolarHBondContact OD2-CE1 3.43Å; D715-Y952 PolarHBondContact OD2-OH 2.82Å
716	L	90.7	Very high	92.6	Very high	33 Å²	33	23.8 Å²	23.8	17%	0.173	13%	0.127	C	C	.	.	H	α-helix	trans	-56.5	-36.1	179.5	-68.3	174	0	0	0	113	V37 P38 L41 L487 F651 K712 T713	V37-L716 HydrophobicContact CB-CD1 4.43Å; V37-L716 HydrophobicContact CG1-CD1 3.67Å; P38-L716 HydrophobicContact CB-CD2 3.59Å; P38-L716 HydrophobicContact CG-CD2 4.02Å; L41-L716 HydrophobicContact CD1-CB 3.99Å; L41-L716 HydrophobicContact CD1-CD1 4.21Å; L41-L716 HydrophobicContact CD1-CD2 4.46Å; L41-L716 HydrophobicContact CD1-CG 4.45Å; L487-L716 HydrophobicContact CD2-CD1 3.83Å; F651-L716 HydrophobicContact CE2-CD1 4.24Å; F651-L716 HydrophobicContact CZ-CD1 4.42Å; K712-L716 VanDerWaalsContact O-CG 3.32Å; K712-L716 WeakPolarHBondContact O-CG 3.39Å; K712-L716 PolarHBondContact O-N 3.49Å; T713-L716 PolarHBondContact O-N 3.34Å
717	L	87.7	Confident	92.7	Very high	18 Å²	18	20.3 Å²	20.3	9%	0.094	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	7.1	-176.7	-58.3	-176.9	0	0	0	113.5	L46 L487 V656 T713 D715 I719	L46-L717 HydrophobicContact CD1-CD1 4.21Å; L46-L717 HydrophobicContact CD1-CD2 3.36Å; L46-L717 HydrophobicContact CD1-CG 4.44Å; L46-L717 HydrophobicContact CG-CD2 4.31Å; L487-L717 HydrophobicContact CD1-CD1 4.45Å; L487-L717 HydrophobicContact CD1-CD2 4.34Å; V656-L717 HydrophobicContact CB-CD1 4.05Å; V656-L717 HydrophobicContact CG1-CD1 3.63Å; V656-L717 HydrophobicContact CG2-CD1 3.83Å; T713-L717 HydrophobicContact CG2-CD1 3.89Å; T713-L717 HydrophobicContact CG2-CG 4.34Å; T713-L717 WeakPolarHBondContact O-CB 3.31Å; T713-L717 WeakPolarHBondContact O-CG 3.16Å; T713-L717 PolarHBondContact O-N 2.6Å; T713-L717 VanDerWaalsContact O-N 3.15Å; D715-L717 PolarHBondContact O-N 3.16Å; L717-I719 HydrophobicContact CB-CD1 3.72Å; L717-I719 HydrophobicContact CB-CG1 3.72Å; L717-I719 HydrophobicContact CD1-CD1 3.96Å; L717-I719 HydrophobicContact CG-CD1 4.48Å; L717-I719 PolarHBondContact O-N 2.97Å
718	S	87.6	Confident	92.7	Very high	50 Å²	50	20 Å²	20	35%	0.35	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	24.9	-177	-61.8	0	0	0	0	113.9	I714 D715 E720 T721	I714-S718 PolarHBondContact O-N 3.16Å; D715-S718 PolarHBondContact O-N 2.96Å; D715-S718 VanDerWaalsContact O-N 3.08Å; S718-E720 PolarHBondContact O-N 3.12Å; S718-T721 WeakPolarHBondContact O-CB 3.17Å; S718-T721 PolarHBondContact O-N 2.63Å; S718-T721 PolarHBondContact O-OG1 2.87Å
719	I	88.4	Confident	92.8	Very high	9 Å²	9	19.6 Å²	19.6	5%	0.046	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-23.9	-178.3	-65.5	171.4	0	0	0	110.3	Y434 I435 L660 I714 L717 T721 L722	Y434-I719 HydrophobicContact CD1-CG1 4.18Å; Y434-I719 HydrophobicContact CE1-CG1 4.22Å; I435-I719 HydrophobicContact CD1-CG2 4.04Å; I435-I719 HydrophobicContact CG1-CD1 4.23Å; I435-I719 HydrophobicContact CG1-CG2 4.08Å; L660-I719 HydrophobicContact CD2-CD1 3.73Å; L660-I719 HydrophobicContact CD2-CG2 4.19Å; I714-I719 HydrophobicContact CG2-CB 4.24Å; I714-I719 PolarHBondContact O-N 3.16Å; I714-I719 VanDerWaalsContact O-N 3.08Å; L717-I719 HydrophobicContact CB-CD1 3.72Å; L717-I719 HydrophobicContact CB-CG1 3.72Å; L717-I719 HydrophobicContact CD1-CD1 3.96Å; L717-I719 HydrophobicContact CG-CD1 4.48Å; L717-I719 PolarHBondContact O-N 2.97Å; I719-T721 PolarHBondContact O-N 2.96Å; I719-L722 CarbonylContact O-C 3.59Å; I719-L722 PolarHBondContact O-N 3Å
720	E	90.4	Very high	92.9	Very high	30 Å²	30	19.5 Å²	19.5	14%	0.14	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-30.2	172.5	-163.7	-172.7	146.1	0	0	112.8	K706 K710 I714 S718	K706-E720 HydrophobicContact CB-CG 4.16Å; K706-E720 HydrophobicContact CD-CG 3.7Å; K706-E720 VanDerWaalsContact CD-OE1 3.22Å; K706-E720 WeakPolarHBondContact CD-OE1 3.48Å; K706-E720 VanDerWaalsContact CE-OE1 3.27Å; K706-E720 WeakPolarHBondContact CE-OE1 3.3Å; K706-E720 HydrophobicContact CG-CG 3.75Å; K706-E720 IonicContact NZ-OE1 3.92Å; K706-E720 PolarHBondContact NZ-OE1 3.28Å; K710-E720 IonicContact NZ-OE2 3.74Å; K710-E720 PolarHBondContact NZ-OE2 2.84Å; I714-E720 HydrophobicContact CG2-CB 4.19Å; S718-E720 PolarHBondContact O-N 3.12Å
721	T	91.1	Very high	93	Very high	79 Å²	79	18.7 Å²	18.7	49%	0.485	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-32.5	178.7	65.8	0	0	0	0	112.5	L166 S718 I719 P723	L166-T721 WeakPolarHBondContact CD1-OG1 3.18Å; S718-T721 WeakPolarHBondContact O-CB 3.17Å; S718-T721 PolarHBondContact O-N 2.63Å; S718-T721 PolarHBondContact O-OG1 2.87Å; I719-T721 PolarHBondContact O-N 2.96Å; T721-P723 VanDerWaalsContact C-CD 3.4Å; T721-P723 WeakPolarHBondContact O-CD 3.46Å
722	L	91.9	Very high	93	Very high	8 Å²	8	19.5 Å²	19.5	4%	0.042	11%	0.112	C	C	.	.	S	Bend	trans	-122.4	67.4	-178.8	-56.2	-178.7	0	0	0	111	L166 Y434 F685 I719	L166-L722 HydrophobicContact CB-CD1 4.3Å; L166-L722 HydrophobicContact CD1-CD1 3.82Å; L166-L722 HydrophobicContact CD1-CD2 4.45Å; L166-L722 HydrophobicContact CD1-CG 3.91Å; Y434-L722 HydrophobicContact CD1-CD1 4.45Å; Y434-L722 HydrophobicContact CD2-CD1 3.93Å; Y434-L722 HydrophobicContact CE2-CD1 4.43Å; Y434-L722 HydrophobicContact CG-CB 4.41Å; Y434-L722 HydrophobicContact CG-CD1 3.94Å; F685-L722 HydrophobicContact CB-CB 4.35Å; F685-L722 HydrophobicContact CB-CD2 4.41Å; F685-L722 HydrophobicContact CD1-CD2 3.61Å; F685-L722 HydrophobicContact CE1-CD2 4.15Å; F685-L722 HydrophobicContact CG-CD2 4.28Å; I719-L722 CarbonylContact O-C 3.59Å; I719-L722 PolarHBondContact O-N 3Å
723	P	93.3	Very high	93.2	Very high	11 Å²	11	19.5 Å²	19.5	7%	0.071	11%	0.113	C	C	.	.			trans	-72.8	160.1	-175.2	27.6	-31.8	0	0	0	113.4	F685 Q705 T721	F685-P723 PolarHBondContact N-O 3.09Å; Q705-P723 WeakPolarHBondContact O-CB 3.41Å; Q705-P723 WeakPolarHBondContact O-CG 3.43Å; T721-P723 VanDerWaalsContact C-CD 3.4Å; T721-P723 WeakPolarHBondContact O-CD 3.46Å
724	A	92.6	Very high	93.3	Very high	2 Å²	2	22.4 Å²	22.4	2%	0.017	13%	0.133	C	C	.	.			trans	-121.7	32.2	-174.8	0	0	0	0	0	114.6	I435 A682 M683 Y1000	I435-A724 HydrophobicContact CD1-CB 4.13Å; A682-A724 HydrophobicContact CB-CB 4.4Å; M683-A724 CarbonylContact O-C 3.6Å; M683-A724 VanDerWaalsContact O-O 3.08Å; A724-Y1000 PolarHBondContact N-OH 3.28Å
725	G	93.9	Very high	93.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.137	C	C	.	.			trans	-175.8	-172	-173.7	0	0	0	0	0	113.8	Q705 Y1000 Y1001	Q705-G725 PolarHBondContact N-O 2.9Å; G725-Y1000 VanDerWaalsContact CA-CZ 3.47Å; G725-Y1000 VanDerWaalsContact CA-OH 3.26Å; G725-Y1000 WeakPolarHBondContact CA-OH 3.35Å; G725-Y1000 PolarHBondContact N-OH 3.45Å; G725-Y1001 VanDerWaalsContact CA-O 3.29Å; G725-Y1001 WeakPolarHBondContact CA-O 3.43Å
726	T	95.5	Very high	93.3	Very high	9 Å²	9	24.2 Å²	24.2	6%	0.055	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	139.8	-176.1	51.1	0	0	0	0	110	Y703 A728 F755 Y1001	Y703-T726 WeakPolarHBondContact O-CG2 3.49Å; T726-A728 PolarHBondContact O-N 3.3Å; T726-F755 WeakPolarHBondContact OG1-CE2 3.45Å; T726-Y1001 PolarHBondContact N-O 3.23Å; T726-Y1001 PolarHBondContact O-N 3.43Å
727	N	96.4	Very high	93.4	Very high	30 Å²	30	24.7 Å²	24.7	16%	0.16	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	128.4	169.4	-55.9	-74.9	0	0	0	108.4	Q705 K706 M708 Y1000	Q705-N727 PolarHBondContact OE1-ND2 3Å; Q705-N727 VanDerWaalsContact OE1-ND2 3.08Å; K706-N727 PolarHBondContact O-ND2 3.24Å; M708-N727 PolarHBondContact N-OD1 2.83Å; N727-Y1000 WeakPolarHBondContact OD1-CD2 3.47Å
728	A	96.5	Very high	93.7	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.008	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	138.2	176.8	0	0	0	0	0	109	T726 V730 F755 D918 P998 I999 Y1001	T726-A728 PolarHBondContact O-N 3.3Å; A728-V730 HydrophobicContact CB-CG2 4.22Å; A728-V730 PolarHBondContact O-N 2.82Å; A728-F755 HydrophobicContact CB-CE2 3.72Å; A728-F755 HydrophobicContact CB-CZ 3.74Å; A728-D918 HydrophobicContact CB-CB 4.35Å; A728-P998 WeakPolarHBondContact O-CA 3.3Å; A728-I999 PolarHBondContact N-O 3.35Å; A728-I999 PolarHBondContact O-N 3.16Å; A728-Y1001 HydrophobicContact CB-CD2 4.13Å
729	T	97	Very high	94	Very high	32 Å²	32	28.3 Å²	28.3	20%	0.196	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	112.6	168.6	-49.8	0	0	0	0	108.3	M915 P917 D918 L919 F996	T729-M915 HydrophobicContact CG2-CE 4.21Å; T729-P917 WeakPolarHBondContact O-CA 3.37Å; T729-D918 WeakPolarHBondContact CB-OD2 3.47Å; T729-D918 PolarHBondContact N-OD2 3.11Å; T729-D918 PolarHBondContact O-N 2.97Å; T729-D918 PolarHBondContact OG1-OD2 3.09Å; T729-L919 PolarHBondContact O-N 3.39Å; T729-F996 HydrophobicContact CG2-CE1 3.82Å; T729-F996 HydrophobicContact CG2-CE2 3.79Å; T729-F996 HydrophobicContact CG2-CZ 3.35Å
730	V	96.9	Very high	94.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	132.3	-172.3	-178.4	0	0	0	0	111	A728 V732 L919 M921 F996 G997 I999 Y1001	A728-V730 HydrophobicContact CB-CG2 4.22Å; A728-V730 PolarHBondContact O-N 2.82Å; V730-V732 HydrophobicContact CG1-CG2 4.43Å; V730-L919 VanDerWaalsContact CA-O 3.31Å; V730-L919 WeakPolarHBondContact CA-O 3.4Å; V730-L919 HydrophobicContact CG1-CD2 4.03Å; V730-L919 HydrophobicContact CG2-CB 4.45Å; V730-L919 HydrophobicContact CG2-CD2 4.19Å; V730-M921 HydrophobicContact CG1-CB 4.22Å; V730-F996 WeakPolarHBondContact O-CA 3.34Å; V730-G997 PolarHBondContact N-O 3.23Å; V730-G997 PolarHBondContact O-N 2.74Å; V730-I999 HydrophobicContact CB-CD1 4.14Å; V730-I999 HydrophobicContact CB-CG1 4.38Å; V730-I999 HydrophobicContact CG1-CD1 4.28Å; V730-I999 HydrophobicContact CG2-CB 3.9Å; V730-I999 HydrophobicContact CG2-CD1 4.22Å; V730-I999 HydrophobicContact CG2-CG1 4.22Å; V730-Y1001 HydrophobicContact CG2-CD2 4.23Å; V730-Y1001 HydrophobicContact CG2-CE2 3.7Å
731	A	96.9	Very high	94.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	124.3	164.8	0	0	0	0	0	109.6	M733 P917 L919 I920 M921 L981 I994 F996	A731-M733 HydrophobicContact CB-CG 4.47Å; A731-M733 PolarHBondContact O-N 3.1Å; A731-P917 HydrophobicContact CB-CB 3.84Å; A731-P917 HydrophobicContact CB-CG 4Å; A731-L919 PolarHBondContact N-O 3.4Å; A731-L919 VanDerWaalsContact N-O 3.14Å; A731-I920 HydrophobicContact CB-CG1 4.37Å; A731-I920 WeakPolarHBondContact O-CA 3.35Å; A731-M921 PolarHBondContact O-N 3.47Å; A731-L981 HydrophobicContact CB-CD1 4.46Å; A731-I994 HydrophobicContact CB-CG2 4.04Å; A731-F996 HydrophobicContact CB-CD2 3.94Å; A731-F996 HydrophobicContact CB-CE2 4.35Å
732	V	96.3	Very high	94.1	Very high	18 Å²	18	39.3 Å²	39.3	11%	0.109	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	95.9	173.4	-178.4	0	0	0	0	109.2	V730 M921 P923 F926 Y995	V730-V732 HydrophobicContact CG1-CG2 4.43Å; V732-M921 WeakPolarHBondContact CA-O 3.46Å; V732-P923 HydrophobicContact CG1-CB 3.92Å; V732-F926 HydrophobicContact CG1-CD2 4.26Å; V732-F926 HydrophobicContact CG1-CE2 3.54Å; V732-F926 HydrophobicContact CG1-CZ 4.41Å; V732-F926 HydrophobicContact CG2-CE2 4.25Å; V732-F926 HydrophobicContact CG2-CZ 4.33Å; V732-Y995 HydrophobicContact CG2-CD1 4.18Å; V732-Y995 PolarHBondContact N-O 2.85Å
733	M	95.5	Very high	94.3	Very high	21 Å²	21	39.7 Å²	39.7	10%	0.103	22%	0.22	C	C	.	.	S	Bend	trans	-157.1	161.2	178.9	65.4	179.2	-70.9	0	0	110.5	A731 Y735 P909 I920 M921 P923 L990 I994	A731-M733 HydrophobicContact CB-CG 4.47Å; A731-M733 PolarHBondContact O-N 3.1Å; M733-Y735 HydrophobicContact CE-CD2 4.17Å; M733-P909 HydrophobicContact SD-CB 4.49Å; M733-P909 HydrophobicContact SD-CG 3.73Å; M733-I920 HydrophobicContact CG-CG2 3.75Å; M733-I920 WeakPolarHBondContact O-CG2 3.01Å; M733-M921 PolarHBondContact N-O 3.07Å; M733-M921 VanDerWaalsContact N-O 3.09Å; M733-P923 VanDerWaalsContact C-CD 3.49Å; M733-L990 HydrophobicContact CE-CD1 3.65Å; M733-L990 HydrophobicContact SD-CD1 4.1Å; M733-I994 HydrophobicContact CB-CD1 3.87Å; M733-I994 HydrophobicContact CB-CG1 4.49Å; M733-I994 HydrophobicContact CB-CG2 4.1Å; M733-I994 HydrophobicContact CG-CG2 4.43Å; M733-I994 HydrophobicContact SD-CD1 4.45Å; M733-I994 HydrophobicContact SD-CG1 4.32Å; M733-I994 HydrophobicContact SD-CG2 4.38Å
734	S	95.3	Very high	94.4	Very high	65 Å²	65	39.4 Å²	39.4	46%	0.455	22%	0.218	S	C	.	.			trans	-85.8	124.6	169.6	-55.8	0	0	0	0	109.3	D739	S734-D739 WeakPolarHBondContact CA-OD2 3.48Å
735	Y	94	Very high	94.6	Very high	25 Å²	25	39.4 Å²	39.4	10%	0.098	22%	0.217	C	C	.	.			trans	-136.8	132.6	-177.2	-173.5	-95.4	0	0	0	111.1	M733 G737 D739 I745 V903 D907 I920 I985	M733-Y735 HydrophobicContact CE-CD2 4.17Å; Y735-G737 PolarHBondContact O-N 3.34Å; Y735-D739 PolarHBondContact N-OD2 3.14Å; Y735-I745 HydrophobicContact CD1-CD1 3.76Å; Y735-I745 HydrophobicContact CG-CD1 4.48Å; Y735-I745 WeakPolarHBondContact O-CD1 3.3Å; Y735-V903 HydrophobicContact CE1-CG1 4.33Å; Y735-V903 HydrophobicContact CE1-CG2 4.2Å; Y735-D907 PolarHBondContact OH-O 3.47Å; Y735-I920 HydrophobicContact CD1-CD1 3.98Å; Y735-I920 HydrophobicContact CD2-CD1 4.25Å; Y735-I920 HydrophobicContact CG-CD1 3.78Å; Y735-I985 HydrophobicContact CE2-CD1 4.34Å; Y735-I985 WeakPolarHBondContact OH-CD1 3.45Å
736	S	91	Very high	94.8	Very high	68 Å²	68	39.4 Å²	39.4	48%	0.476	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	-8.6	175.7	73.7	0	0	0	0	119.2	Y738 I745	S736-Y738 VanDerWaalsContact C-N 3.27Å; S736-Y738 WeakPolarHBondContact O-CD2 3.34Å; S736-Y738 PolarHBondContact O-N 2.83Å; S736-I745 WeakPolarHBondContact OG-CD1 3.02Å
737	G	92.7	Very high	94.9	Very high	43 Å²	43	39 Å²	39	44%	0.443	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	-3.8	-177.8	0	0	0	0	0	114.6	Y735 D739 I740	Y735-G737 PolarHBondContact O-N 3.34Å; G737-D739 PolarHBondContact O-N 3.3Å; G737-I740 WeakPolarHBondContact O-CD1 3.37Å; G737-I740 WeakPolarHBondContact O-CG1 3.34Å
738	Y	94.7	Very high	94.9	Very high	141 Å²	141	44.4 Å²	44.4	55%	0.553	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	11	175	-68.6	-90.7	0	0	0	113.2	S736 A743 L901	S736-Y738 VanDerWaalsContact C-N 3.27Å; S736-Y738 WeakPolarHBondContact O-CD2 3.34Å; S736-Y738 PolarHBondContact O-N 2.83Å; Y738-A743 WeakPolarHBondContact O-CB 3.41Å; Y738-L901 HydrophobicContact CD2-CD2 3.8Å; Y738-L901 HydrophobicContact CE2-CD2 4.36Å; Y738-L901 HydrophobicContact CG-CB 4.08Å; Y738-L901 HydrophobicContact CG-CD2 4.1Å
739	D	94.1	Very high	95	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.016	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	15.5	178.7	66.2	-3.4	0	0	0	112.9	S734 Y735 G737 A743 I745 N922	S734-D739 WeakPolarHBondContact CA-OD2 3.48Å; Y735-D739 PolarHBondContact N-OD2 3.14Å; G737-D739 PolarHBondContact O-N 3.3Å; D739-A743 WeakPolarHBondContact CA-O 3.45Å; D739-I745 HydrophobicContact CB-CD1 3.95Å; D739-I745 HydrophobicContact CB-CG1 4.12Å; D739-N922 HydrophobicContact CB-CB 4.07Å; D739-N922 WeakPolarHBondContact O-CB 3.37Å; D739-N922 PolarHBondContact O-ND2 3.44Å; D739-N922 PolarHBondContact OD1-ND2 3.45Å; D739-N922 VanDerWaalsContact OD1-ND2 3.12Å
740	I	93.2	Very high	95	Very high	109 Å²	109	44 Å²	44	56%	0.559	23%	0.232	S	C	*	.	S	Bend	trans	-72	148.4	174.7	-63	172.1	0	0	0	109.6	G737 D742 A743	G737-I740 WeakPolarHBondContact O-CD1 3.37Å; G737-I740 WeakPolarHBondContact O-CG1 3.34Å; I740-D742 PolarHBondContact O-N 2.8Å; I740-A743 WeakPolarHBondContact O-CB 3.21Å; I740-A743 PolarHBondContact O-N 2.83Å
741	E	89	Confident	95	Very high	184 Å²	184	44.2 Å²	44.2	86%	0.86	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	54.2	176.6	-71.5	-175.9	178.6	0	0	114.6	A743	E741-A743 PolarHBondContact O-N 2.98Å
742	D	90.1	Very high	95	Very high	55 Å²	55	48.9 Å²	48.9	29%	0.294	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	4.5	178.6	-53.1	-47.6	0	0	0	116.6	I740 K896 G897 R929	I740-D742 PolarHBondContact O-N 2.8Å; D742-K896 WeakPolarHBondContact CB-O 3.37Å; D742-G897 WeakPolarHBondContact O-CA 3.45Å; D742-R929 IonicContact OD1-CZ 3.51Å; D742-R929 IonicContact OD1-NH1 2.74Å; D742-R929 PolarHBondContact OD1-NH1 3.25Å; D742-R929 IonicContact OD1-NH2 3.49Å; D742-R929 PolarHBondContact OD1-NH2 2.72Å; D742-R929 IonicContact OD2-CZ 2.66Å; D742-R929 IonicContact OD2-NH1 2.76Å; D742-R929 IonicContact OD2-NH2 3.19Å; D742-R929 PolarHBondContact OD2-NH2 3.44Å
743	A	95.2	Very high	95	Very high	17 Å²	17	55.7 Å²	55.7	14%	0.14	28%	0.282	C	S	.	.			trans	-62.3	143	171.9	0	0	0	0	0	110.5	Y738 D739 I740 E741 V898	Y738-A743 WeakPolarHBondContact O-CB 3.41Å; D739-A743 WeakPolarHBondContact CA-O 3.45Å; I740-A743 WeakPolarHBondContact O-CB 3.21Å; I740-A743 PolarHBondContact O-N 2.83Å; E741-A743 PolarHBondContact O-N 2.98Å; A743-V898 CarbonylContact C-O 3.57Å; A743-V898 WeakPolarHBondContact CA-O 3.43Å
744	I	95.7	Very high	95	Very high	5 Å²	5	55 Å²	55	3%	0.026	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	148	176.1	56.4	166.2	0	0	0	109.4	L746 F889 V898 G900 L919	I744-L746 HydrophobicContact CD1-CD2 4.07Å; I744-F889 HydrophobicContact CD1-CB 3.69Å; I744-F889 HydrophobicContact CD1-CD2 3.76Å; I744-F889 HydrophobicContact CD1-CG 3.9Å; I744-V898 WeakPolarHBondContact CG1-O 3.48Å; I744-V898 PolarHBondContact N-O 3.12Å; I744-G900 PolarHBondContact O-N 2.9Å; I744-L919 HydrophobicContact CB-CD1 4.34Å; I744-L919 HydrophobicContact CB-CD2 4.43Å; I744-L919 HydrophobicContact CB-CG 4.25Å; I744-L919 HydrophobicContact CD1-CD1 3.62Å; I744-L919 HydrophobicContact CD1-CG 4.37Å; I744-L919 HydrophobicContact CG2-CD1 4.48Å; I744-L919 HydrophobicContact CG2-CD2 4.23Å
745	I	97.1	Very high	95.1	Very high	1 Å²	1	53 Å²	53	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.4	177	-59.3	177.2	0	0	0	108	Y735 S736 D739 L901 V903 L919 I920	Y735-I745 HydrophobicContact CD1-CD1 3.76Å; Y735-I745 HydrophobicContact CG-CD1 4.48Å; Y735-I745 WeakPolarHBondContact O-CD1 3.3Å; S736-I745 WeakPolarHBondContact OG-CD1 3.02Å; D739-I745 HydrophobicContact CB-CD1 3.95Å; D739-I745 HydrophobicContact CB-CG1 4.12Å; I745-L901 WeakPolarHBondContact CA-O 3.41Å; I745-L901 HydrophobicContact CG1-CB 4.3Å; I745-L901 HydrophobicContact CG2-CB 4.38Å; I745-V903 HydrophobicContact CG2-CB 4.27Å; I745-V903 HydrophobicContact CG2-CG2 3.49Å; I745-V903 VanDerWaalsContact CG2-CG2 3.49Å; I745-L919 CarbonylContact O-C 3.45Å; I745-L919 VanDerWaalsContact O-CA 3.31Å; I745-L919 WeakPolarHBondContact O-CA 3.4Å; I745-I920 HydrophobicContact CB-CB 4.22Å; I745-I920 PolarHBondContact N-O 3.14Å; I745-I920 PolarHBondContact O-N 3.33Å
746	L	97.2	Very high	95	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	147.5	-177.3	-63.8	-178.8	0	0	0	111.4	I744 L751 F755 F889 C899 L901 I902 V903 L919	I744-L746 HydrophobicContact CD1-CD2 4.07Å; L746-L751 HydrophobicContact CB-CD1 4.31Å; L746-L751 HydrophobicContact CD1-CD1 4.5Å; L746-L751 HydrophobicContact CD1-CD2 4.22Å; L746-F755 HydrophobicContact CD2-CE1 4.22Å; L746-F889 HydrophobicContact CD1-CE2 3.81Å; L746-F889 HydrophobicContact CD1-CZ 4.1Å; L746-C899 HydrophobicContact CD1-CB 4.1Å; L746-C899 VanDerWaalsContact CD1-SG 3.57Å; L746-L901 PolarHBondContact N-O 2.98Å; L746-I902 HydrophobicContact CB-CG1 4.48Å; L746-I902 WeakPolarHBondContact O-CA 3.39Å; L746-V903 PolarHBondContact O-N 2.93Å; L746-L919 HydrophobicContact CD2-CB 4.1Å; L746-L919 HydrophobicContact CD2-CD1 3.86Å; L746-L919 HydrophobicContact CD2-CG 4.02Å
747	N	97.5	Very high	95.2	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	120.1	174.1	-176.1	-17.8	0	0	0	111.4	A749 S750 L751 L908 P917 D918	N747-A749 VanDerWaalsContact C-N 3.34Å; N747-A749 PolarHBondContact O-N 3.49Å; N747-A749 PolarHBondContact OD1-N 2.88Å; N747-S750 PolarHBondContact ND2-OG 3.33Å; N747-S750 WeakPolarHBondContact O-CB 3.46Å; N747-S750 PolarHBondContact O-N 3.42Å; N747-L751 WeakPolarHBondContact O-CG 3.5Å; N747-L751 PolarHBondContact O-N 3.43Å; N747-L751 VanDerWaalsContact O-N 3.09Å; N747-L908 HydrophobicContact CB-CD1 3.43Å; N747-L908 VanDerWaalsContact CB-CD1 3.43Å; N747-L908 WeakPolarHBondContact ND2-CD1 3.24Å; N747-P917 WeakPolarHBondContact CB-O 3.39Å; N747-P917 PolarHBondContact ND2-O 3.17Å; N747-P917 VanDerWaalsContact ND2-O 3.08Å; N747-D918 PolarHBondContact N-O 3.4Å
748	R	97.7	Very high	95.3	Very high	142 Å²	142	49.4 Å²	49.4	54%	0.536	23%	0.227	S	C	.	.	H	α-helix	trans	-57	-45.5	178.9	-171.7	174.4	178.5	165.6	0.5	112.2	S750 L751 D752 I902 V903	R748-S750 VanDerWaalsContact C-N 3.27Å; R748-S750 PolarHBondContact O-N 3.18Å; R748-L751 WeakPolarHBondContact O-CB 3.31Å; R748-L751 PolarHBondContact O-N 3.38Å; R748-L751 VanDerWaalsContact O-N 3.11Å; R748-D752 PolarHBondContact O-N 3.38Å; R748-I902 HydrophobicContact CB-CG2 3.71Å; R748-I902 HydrophobicContact CG-CG2 4.1Å; R748-V903 WeakPolarHBondContact CB-O 3.39Å; R748-V903 PolarHBondContact N-O 2.94Å
749	A	97.7	Very high	95.3	Very high	18 Å²	18	43.5 Å²	43.5	15%	0.149	21%	0.205	C	C	.	.	H	α-helix	trans	-64.6	-34.2	-179.3	0	0	0	0	0	111.7	N747 D752 R753 Q905	N747-A749 VanDerWaalsContact C-N 3.34Å; N747-A749 PolarHBondContact O-N 3.49Å; N747-A749 PolarHBondContact OD1-N 2.88Å; A749-D752 PolarHBondContact O-N 2.84Å; A749-R753 WeakPolarHBondContact O-CB 3.43Å; A749-R753 WeakPolarHBondContact O-CD 3.4Å; A749-R753 WeakPolarHBondContact O-CG 3.46Å; A749-R753 PolarHBondContact O-N 3.17Å; A749-Q905 HydrophobicContact CB-CB 3.71Å; A749-Q905 HydrophobicContact CB-CG 4.41Å
750	S	97.1	Very high	95.4	Very high	7 Å²	7	43.5 Å²	43.5	5%	0.049	21%	0.205	C	C	.	.	H	α-helix	trans	-66.6	-39.9	173.9	-58	0	0	0	0	111.6	N747 R748 R753 G754 F755 D918	N747-S750 PolarHBondContact ND2-OG 3.33Å; N747-S750 WeakPolarHBondContact O-CB 3.46Å; N747-S750 PolarHBondContact O-N 3.42Å; R748-S750 VanDerWaalsContact C-N 3.27Å; R748-S750 PolarHBondContact O-N 3.18Å; S750-R753 PolarHBondContact O-N 2.86Å; S750-G754 PolarHBondContact O-N 3.48Å; S750-G754 VanDerWaalsContact O-N 3.15Å; S750-F755 WeakPolarHBondContact O-CB 3.42Å; S750-F755 PolarHBondContact O-N 3.24Å; S750-D918 VanDerWaalsContact CB-OD1 3.29Å; S750-D918 WeakPolarHBondContact CB-OD1 3.41Å; S750-D918 PolarHBondContact OG-OD1 2.93Å
751	L	96.8	Very high	95.4	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-63.6	-42.3	174.2	-63.1	-179	0	0	0	112.4	L746 N747 R748 R753 G754 F755 R757 V882 P883 I902	L746-L751 HydrophobicContact CB-CD1 4.31Å; L746-L751 HydrophobicContact CD1-CD1 4.5Å; L746-L751 HydrophobicContact CD1-CD2 4.22Å; N747-L751 WeakPolarHBondContact O-CG 3.5Å; N747-L751 PolarHBondContact O-N 3.43Å; N747-L751 VanDerWaalsContact O-N 3.09Å; R748-L751 WeakPolarHBondContact O-CB 3.31Å; R748-L751 PolarHBondContact O-N 3.38Å; R748-L751 VanDerWaalsContact O-N 3.11Å; L751-R753 VanDerWaalsContact C-N 3.35Å; L751-G754 PolarHBondContact O-N 2.91Å; L751-G754 VanDerWaalsContact O-N 3.09Å; L751-F755 HydrophobicContact CD2-CB 4.45Å; L751-F755 HydrophobicContact CD2-CD1 3.97Å; L751-R757 PolarHBondContact O-NH2 3.25Å; L751-V882 HydrophobicContact CB-CG1 4.47Å; L751-P883 HydrophobicContact CD2-CB 3.76Å; L751-P883 HydrophobicContact CD2-CG 3.69Å; L751-I902 HydrophobicContact CD1-CD1 3.75Å; L751-I902 HydrophobicContact CD1-CG1 3.95Å; L751-I902 HydrophobicContact CD1-CG2 3.83Å
752	D	97	Very high	95.6	Very high	99 Å²	99	33.6 Å²	33.6	53%	0.529	15%	0.154	S	C	.	.	H	α-helix	trans	-63.5	-42.7	178.4	-68.7	-26	0	0	0	110.8	R748 A749 G754 R757	R748-D752 PolarHBondContact O-N 3.38Å; A749-D752 PolarHBondContact O-N 2.84Å; D752-G754 PolarHBondContact O-N 2.86Å; D752-R757 PolarHBondContact O-NH2 3.4Å
753	R	97.1	Very high	95.8	Very high	160 Å²	160	32.4 Å²	32.4	60%	0.604	15%	0.15	S	C	*	.	H	α-helix	trans	-64.9	-18.5	173.4	-70.2	166.8	-171.9	138.3	6.6	114	A749 S750 L751 Q905	A749-R753 WeakPolarHBondContact O-CB 3.43Å; A749-R753 WeakPolarHBondContact O-CD 3.4Å; A749-R753 WeakPolarHBondContact O-CG 3.46Å; A749-R753 PolarHBondContact O-N 3.17Å; S750-R753 PolarHBondContact O-N 2.86Å; L751-R753 VanDerWaalsContact C-N 3.35Å; R753-Q905 VanDerWaalsContact NH1-OE1 3.11Å
754	G	95.6	Very high	95.7	Very high	6 Å²	6	32.3 Å²	32.3	6%	0.062	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	121.1	8.9	172.3	0	0	0	0	0	116.3	S750 L751 D752 G756 R757	S750-G754 PolarHBondContact O-N 3.48Å; S750-G754 VanDerWaalsContact O-N 3.15Å; L751-G754 PolarHBondContact O-N 2.91Å; L751-G754 VanDerWaalsContact O-N 3.09Å; D752-G754 PolarHBondContact O-N 2.86Å; G754-G756 PolarHBondContact O-N 3.25Å; G754-R757 WeakPolarHBondContact O-CB 3.46Å; G754-R757 PolarHBondContact O-N 2.9Å
755	F	95.8	Very high	95.6	Very high	23 Å²	23	38.9 Å²	38.9	10%	0.101	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	125.7	176.1	-177.8	-99	0	0	0	111.2	T726 A728 L746 S750 L751 R757 P883 F889	T726-F755 WeakPolarHBondContact OG1-CE2 3.45Å; A728-F755 HydrophobicContact CB-CE2 3.72Å; A728-F755 HydrophobicContact CB-CZ 3.74Å; L746-F755 HydrophobicContact CD2-CE1 4.22Å; S750-F755 WeakPolarHBondContact O-CB 3.42Å; S750-F755 PolarHBondContact O-N 3.24Å; L751-F755 HydrophobicContact CD2-CB 4.45Å; L751-F755 HydrophobicContact CD2-CD1 3.97Å; F755-R757 PolarHBondContact O-N 2.88Å; F755-R757 VanDerWaalsContact O-N 3.14Å; F755-P883 WeakPolarHBondContact O-CG 3.41Å; F755-F889 HydrophobicContact CE1-CE1 4.24Å
756	G	92.9	Very high	95.4	Very high	2 Å²	2	39.2 Å²	39.2	2%	0.021	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	15.3	177.1	0	0	0	0	0	115.9	G754 C758 P883 K1003	G754-G756 PolarHBondContact O-N 3.25Å; G756-C758 PolarHBondContact O-N 3.18Å; G756-P883 WeakPolarHBondContact O-CG 3.43Å; G756-K1003 VanDerWaalsContact O-CD 3.26Å; G756-K1003 WeakPolarHBondContact O-CD 3.47Å; G756-K1003 PolarHBondContact O-NZ 3.36Å
757	R	95.5	Very high	95.1	Very high	59 Å²	59	41.1 Å²	41.1	22%	0.223	20%	0.196	C	C	.	.			trans	-65.7	127.8	177.8	-167.3	165.9	-69.9	156.2	4	110.3	V702 L751 D752 G754 F755 T880	V702-R757 HydrophobicContact CB-CB 4.41Å; V702-R757 HydrophobicContact CG2-CB 4.24Å; V702-R757 HydrophobicContact CG2-CG 4Å; V702-R757 PolarHBondContact N-O 2.97Å; L751-R757 PolarHBondContact O-NH2 3.25Å; D752-R757 PolarHBondContact O-NH2 3.4Å; G754-R757 WeakPolarHBondContact O-CB 3.46Å; G754-R757 PolarHBondContact O-N 2.9Å; F755-R757 PolarHBondContact O-N 2.88Å; F755-R757 VanDerWaalsContact O-N 3.14Å; R757-T880 HydrophobicContact CG-CG2 3.93Å
758	C	94.9	Very high	94.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	155.4	-177.5	64.2	0	0	0	0	112.5	M683 G700 L701 G756 T880 R881 K1003	M683-C758 HydrophobicContact SD-CB 3.8Å; G700-C758 CarbonylContact O-C 3.5Å; G700-C758 VanDerWaalsContact O-CA 3.22Å; G700-C758 WeakPolarHBondContact O-CA 3.39Å; G700-C758 WeakPolarHBondContact O-CB 3.35Å; L701-C758 HydrophobicContact CD2-CB 4.21Å; G756-C758 PolarHBondContact O-N 3.18Å; C758-T880 CarbonylContact O-C 3.51Å; C758-T880 WeakPolarHBondContact O-CA 3.36Å; C758-R881 PolarHBondContact N-O 3.04Å; C758-R881 PolarHBondContact O-N 3.14Å; C758-K1003 PolarHBondContact SG-NZ 2.88Å
759	T	94.5	Very high	94.3	Very high	18 Å²	18	42.3 Å²	42.3	11%	0.11	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	132.4	171.7	52.3	0	0	0	0	109.1	G700 V702 H761 Q879 T880	G700-T759 PolarHBondContact N-O 2.87Å; G700-T759 PolarHBondContact O-N 2.79Å; G700-T759 PolarHBondContact O-OG1 3.35Å; V702-T759 HydrophobicContact CG2-CG2 3.93Å; T759-H761 PolarHBondContact OG1-CE1 3.08Å; T759-H761 VanDerWaalsContact OG1-CE1 3.31Å; T759-Q879 CarbonylContact C-O 3.34Å; T759-Q879 WeakPolarHBondContact CA-O 3.5Å; T759-T880 HydrophobicContact CG2-CG2 4.49Å
760	V	95	Very high	93.8	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	111.4	176.1	-173.5	0	0	0	0	107.2	L697 Y699 R762 R878 Q879 R881 M1007	L697-V760 HydrophobicContact CD1-CG1 3.86Å; Y699-V760 HydrophobicContact CD1-CB 4.46Å; Y699-V760 HydrophobicContact CD1-CG1 4.19Å; Y699-V760 HydrophobicContact CD1-CG2 3.89Å; Y699-V760 HydrophobicContact CE1-CB 4.46Å; Y699-V760 HydrophobicContact CE1-CG1 3.85Å; Y699-V760 HydrophobicContact CE1-CG2 3.91Å; V760-R762 HydrophobicContact CG1-CG 4.4Å; V760-R878 WeakPolarHBondContact O-CA 3.29Å; V760-Q879 PolarHBondContact N-O 2.89Å; V760-Q879 PolarHBondContact O-N 3.14Å; V760-R881 HydrophobicContact CG2-CG 4.39Å; V760-M1007 HydrophobicContact CG2-CE 3.89Å
761	H	94.1	Very high	93.2	Very high	29 Å²	29	49 Å²	49	13%	0.134	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	134.2	174.6	-51.5	80.1	0	0	0	108.5	L697 L698 T759 E859 L876 Y877 R878	L697-H761 WeakPolarHBondContact CA-O 3.31Å; L698-H761 HydrophobicContact CB-CB 4.31Å; L698-H761 PolarHBondContact N-O 2.85Å; L698-H761 PolarHBondContact O-N 3.25Å; T759-H761 PolarHBondContact OG1-CE1 3.08Å; T759-H761 VanDerWaalsContact OG1-CE1 3.31Å; H761-E859 IonicContact CD2-OE2 2.69Å; H761-E859 PolarHBondContact CD2-OE2 3.29Å; H761-E859 VanDerWaalsContact CD2-OE2 3.27Å; H761-E859 IonicContact NE2-OE2 3.33Å; H761-E859 PolarHBondContact NE2-OE2 3.49Å; H761-L876 HydrophobicContact CB-CD1 4.1Å; H761-Y877 WeakPolarHBondContact CA-O 3.26Å; H761-R878 WeakPolarHBondContact NE2-CD 3.39Å
762	R	94	Very high	92.4	Very high	57 Å²	57	55.5 Å²	55.5	22%	0.215	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	142.5	173.9	-71	-179.1	-174.9	-178.3	5.4	108.6	S696 L697 V760 Y877 D1010	S696-R762 WeakPolarHBondContact O-CA 3.41Å; L697-R762 HydrophobicContact CD1-CG 3.72Å; V760-R762 HydrophobicContact CG1-CG 4.4Å; R762-Y877 HydrophobicContact CB-CD2 4.11Å; R762-Y877 HydrophobicContact CB-CE1 4.3Å; R762-Y877 HydrophobicContact CB-CE2 3.4Å; R762-Y877 VanDerWaalsContact CB-CZ 3.49Å; R762-Y877 WeakPolarHBondContact CB-OH 3.48Å; R762-Y877 HydrophobicContact CG-CE2 4.29Å; R762-Y877 PolarHBondContact N-O 2.93Å; R762-Y877 WeakPolarHBondContact O-CD1 3.41Å; R762-Y877 WeakPolarHBondContact O-CE1 3.24Å; R762-Y877 PolarHBondContact O-N 2.79Å; R762-D1010 IonicContact CZ-OD1 3.69Å; R762-D1010 IonicContact NH2-OD1 2.84Å; R762-D1010 PolarHBondContact NH2-OD1 2.81Å; R762-D1010 IonicContact NH2-OD2 2.94Å; R762-D1010 PolarHBondContact NH2-OD2 3.25Å
763	S	93.7	Very high	91.6	Very high	30 Å²	30	53.5 Å²	53.5	21%	0.21	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	142.4	173	56.8	0	0	0	0	111.6	D695 S696 V875	D695-S763 WeakPolarHBondContact O-CB 3.44Å; D695-S763 PolarHBondContact O-OG 2.99Å; S696-S763 VanDerWaalsContact CA-OG 3.31Å; S696-S763 WeakPolarHBondContact CA-OG 3.34Å; S696-S763 PolarHBondContact O-N 3.35Å; S763-V875 CarbonylContact C-O 3.57Å; S763-V875 VanDerWaalsContact CA-O 3.28Å; S763-V875 WeakPolarHBondContact CA-O 3.35Å
764	A	93.7	Very high	90.8	Very high	15 Å²	15	49.1 Å²	49.1	12%	0.124	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	141	164.6	0	0	0	0	0	108.5	L816 L848 K874 V875 Y877	A764-L816 HydrophobicContact CB-CD1 4.17Å; A764-L848 HydrophobicContact CB-CD1 4.42Å; A764-L848 HydrophobicContact CB-CD2 3.85Å; A764-K874 WeakPolarHBondContact O-CA 3.15Å; A764-V875 PolarHBondContact N-O 2.91Å; A764-V875 PolarHBondContact O-N 3.3Å; A764-Y877 HydrophobicContact CB-CE1 3.99Å
765	K	92.7	Very high	90.3	Very high	142 Å²	142	51.5 Å²	51.5	62%	0.617	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120	140.1	-177.9	64.1	-179.5	-176.8	177.3	0	111	L872 V873 K874	K765-L872 HydrophobicContact CB-CD1 4.33Å; K765-V873 CarbonylContact C-O 3.58Å; K765-V873 WeakPolarHBondContact CA-O 3.33Å; K765-K874 HydrophobicContact CB-CG 4.39Å
766	C	93.1	Very high	89.8	Confident	9 Å²	9	52.8 Å²	52.8	6%	0.061	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	113	176.5	179.8	0	0	0	0	108.6	V817 L848 V873	C766-V817 HydrophobicContact CB-CB 4.4Å; C766-V817 HydrophobicContact CB-CG1 4.42Å; C766-V817 HydrophobicContact CB-CG2 4.24Å; C766-L848 HydrophobicContact CB-CD2 4.05Å; C766-V873 HydrophobicContact CB-CB 4.35Å; C766-V873 PolarHBondContact N-O 2.7Å; C766-V873 PolarHBondContact O-N 3.21Å
767	A	91	Very high	89.8	Confident	40 Å²	40	53 Å²	53	33%	0.331	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	131.4	173.5	0	0	0	0	0	109.7	K819 L872	A767-K819 PolarHBondContact O-NZ 3.42Å; A767-L872 HydrophobicContact CB-CD1 4.28Å
768	L	91.5	Very high	89.5	Confident	23 Å²	23	55.1 Å²	55.1	12%	0.12	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	108	172.4	-57.7	174.2	0	0	0	107.8	D777 V779 K819 Y871	L768-D777 HydrophobicContact CB-CB 4.2Å; L768-D777 HydrophobicContact CD2-CB 4.01Å; L768-V779 HydrophobicContact CD1-CG2 3.74Å; L768-V779 HydrophobicContact CD2-CG2 3.68Å; L768-V779 HydrophobicContact CG-CG2 4.33Å; L768-K819 HydrophobicContact CD2-CD 4.21Å; L768-K819 HydrophobicContact CD2-CG 4.06Å; L768-Y871 PolarHBondContact N-O 3.01Å
769	R	87.2	Confident	89.5	Confident	145 Å²	145	56.8 Å²	56.8	55%	0.547	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-88	148.6	-174.3	-65.2	-179.2	178.5	176	-1.5	110.9	S776 D777	R769-S776 WeakPolarHBondContact O-CA 3.13Å; R769-D777 PolarHBondContact N-OD2 3.33Å; R769-D777 PolarHBondContact O-N 2.88Å
770	R	85.6	Confident	89.2	Confident	122 Å²	122	58.6 Å²	58.6	46%	0.46	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-101.9	132.5	162	-69.5	-179.9	171.7	168.2	-1.1	108.1	E869	R770-E869 IonicContact NH1-OE2 2.7Å; R770-E869 PolarHBondContact NH1-OE2 3.24Å
771	Y	85.2	Confident	89	Confident	45 Å²	45	60 Å²	60	18%	0.176	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-96.4	157.1	179.9	-60.7	-84.1	0	0	0	110.5	N773 G774 M775 D777 P822 P825	Y771-N773 WeakPolarHBondContact CB-OD1 3.44Å; Y771-N773 PolarHBondContact O-N 3.5Å; Y771-N773 VanDerWaalsContact O-N 3.14Å; Y771-G774 PolarHBondContact O-N 3.41Å; Y771-M775 HydrophobicContact CD2-CB 4.46Å; Y771-M775 WeakPolarHBondContact CD2-O 3.47Å; Y771-M775 PolarHBondContact N-O 3.23Å; Y771-D777 WeakPolarHBondContact CE2-OD1 3.43Å; Y771-D777 PolarHBondContact OH-OD1 2.9Å; Y771-P822 HydrophobicContact CD2-CG 3.86Å; Y771-P822 HydrophobicContact CE2-CG 3.57Å; Y771-P825 HydrophobicContact CD1-CB 3.53Å; Y771-P825 HydrophobicContact CD2-CB 4.32Å; Y771-P825 HydrophobicContact CE1-CB 3.54Å; Y771-P825 HydrophobicContact CE1-CG 4.41Å; Y771-P825 HydrophobicContact CE2-CB 4.34Å; Y771-P825 HydrophobicContact CG-CB 3.95Å
772	P	81.1	Confident	88.9	Confident	139 Å²	139	60 Å²	60	90%	0.903	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-25.7	-177.9	-26	35.3	0	0	0	114.8	G774	P772-G774 PolarHBondContact O-N 3.48Å
773	N	79.3	Confident	88.7	Confident	57 Å²	57	59.5 Å²	59.5	31%	0.305	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	4.6	177	67.3	-4.9	0	0	0	113.7	Y771 M775	Y771-N773 WeakPolarHBondContact CB-OD1 3.44Å; Y771-N773 PolarHBondContact O-N 3.5Å; Y771-N773 VanDerWaalsContact O-N 3.14Å; N773-M775 VanDerWaalsContact C-N 3.27Å; N773-M775 PolarHBondContact ND2-SD 3.45Å; N773-M775 VanDerWaalsContact ND2-SD 3.42Å; N773-M775 PolarHBondContact O-N 3.41Å; N773-M775 VanDerWaalsContact OD1-CB 3.25Å; N773-M775 WeakPolarHBondContact OD1-CB 3.23Å; N773-M775 WeakPolarHBondContact OD1-CG 3.48Å; N773-M775 PolarHBondContact OD1-N 3.33Å
774	G	80.4	Confident	88.4	Confident	68 Å²	68	63.2 Å²	63.2	70%	0.701	35%	0.348	S	S	*	.	S	Bend	trans	82.5	-4.8	-177.2	0	0	0	0	0	114.6	Y771 P772	Y771-G774 PolarHBondContact O-N 3.41Å; P772-G774 PolarHBondContact O-N 3.48Å
775	M	84.4	Confident	88	Confident	57 Å²	57	67.1 Å²	67.1	28%	0.281	36%	0.364	S	S	.	.			trans	-72.2	152.3	172.5	-61.9	-174	178.4	0	0	110.7	Y771 N773 P822 A841	Y771-M775 HydrophobicContact CD2-CB 4.46Å; Y771-M775 WeakPolarHBondContact CD2-O 3.47Å; Y771-M775 PolarHBondContact N-O 3.23Å; N773-M775 VanDerWaalsContact C-N 3.27Å; N773-M775 PolarHBondContact ND2-SD 3.45Å; N773-M775 VanDerWaalsContact ND2-SD 3.42Å; N773-M775 PolarHBondContact O-N 3.41Å; N773-M775 VanDerWaalsContact OD1-CB 3.25Å; N773-M775 WeakPolarHBondContact OD1-CB 3.23Å; N773-M775 WeakPolarHBondContact OD1-CG 3.48Å; N773-M775 PolarHBondContact OD1-N 3.33Å; M775-P822 HydrophobicContact CB-CG 4.27Å; M775-P822 HydrophobicContact SD-CB 3.94Å; M775-A841 HydrophobicContact CE-CB 3.89Å; M775-A841 HydrophobicContact SD-CB 4.01Å
776	S	86.9	Confident	87.5	Confident	49 Å²	49	67.4 Å²	67.4	34%	0.343	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-133.7	152.4	175.9	58.1	0	0	0	0	111.5	R769 Y843	R769-S776 WeakPolarHBondContact O-CA 3.13Å; S776-Y843 WeakPolarHBondContact O-CE1 3.14Å
777	D	91.4	Very high	87	Confident	8 Å²	8	71.5 Å²	71.5	4%	0.043	41%	0.411	C	S	.	.			trans	-61.9	143.9	165.1	-62.7	-24	0	0	0	109.2	L768 R769 Y771 K819 M820	L768-D777 HydrophobicContact CB-CB 4.2Å; L768-D777 HydrophobicContact CD2-CB 4.01Å; R769-D777 PolarHBondContact N-OD2 3.33Å; R769-D777 PolarHBondContact O-N 2.88Å; Y771-D777 WeakPolarHBondContact CE2-OD1 3.43Å; Y771-D777 PolarHBondContact OH-OD1 2.9Å; D777-K819 VanDerWaalsContact CG-CE 3.43Å; D777-K819 WeakPolarHBondContact OD2-CE 3.2Å; D777-K819 IonicContact OD2-NZ 3.81Å; D777-K819 PolarHBondContact OD2-NZ 3.06Å; D777-M820 WeakPolarHBondContact CA-O 3.23Å
778	R	90.8	Very high	86.7	Confident	102 Å²	102	73.2 Å²	73.2	39%	0.385	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	156.7	177	68.2	-176.3	-179.4	-173.6	-0.9	111.6	M820 Y843	R778-M820 HydrophobicContact CG-CB 3.89Å; R778-M820 PolarHBondContact N-O 2.93Å; R778-M820 PolarHBondContact O-N 3.3Å; R778-Y843 HydrophobicContact CB-CE1 4.47Å; R778-Y843 HydrophobicContact CG-CD1 3.88Å; R778-Y843 HydrophobicContact CG-CE1 3.76Å; R778-Y843 VanDerWaalsContact CZ-CE2 3.43Å
779	V	93.2	Very high	86.3	Confident	36 Å²	36	74.9 Å²	74.9	22%	0.218	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	126.3	170.5	-175.4	0	0	0	0	107.1	L768 D801 I803 V817 N818	L768-V779 HydrophobicContact CD1-CG2 3.74Å; L768-V779 HydrophobicContact CD2-CG2 3.68Å; L768-V779 HydrophobicContact CG-CG2 4.33Å; V779-D801 VanDerWaalsContact CG1-O 3.3Å; V779-D801 WeakPolarHBondContact CG1-O 3.4Å; V779-I803 HydrophobicContact CG1-CG1 4.37Å; V779-V817 HydrophobicContact CG1-CG1 4.15Å; V779-V817 HydrophobicContact CG2-CG1 4.05Å; V779-N818 WeakPolarHBondContact CA-O 3.3Å
780	N	90	Very high	86.1	Confident	55 Å²	55	77.1 Å²	77.1	29%	0.294	45%	0.449	S	S	.	.			trans	-101.2	148.6	177.8	-84.4	18.7	0	0	0	110.1	G802 N818 M820	N780-G802 WeakPolarHBondContact O-CA 3.34Å; N780-N818 PolarHBondContact N-O 2.93Å; N780-N818 VanDerWaalsContact N-O 3.13Å; N780-N818 WeakPolarHBondContact O-CB 3.46Å; N780-N818 PolarHBondContact O-ND2 2.66Å; N780-N818 VanDerWaalsContact O-ND2 3.1Å; N780-M820 HydrophobicContact CB-CE 3.93Å; N780-M820 HydrophobicContact CB-SD 4.25Å; N780-M820 VanDerWaalsContact CG-SD 3.58Å; N780-M820 WeakPolarHBondContact ND2-CE 3.46Å; N780-M820 PolarHBondContact ND2-SD 3.24Å
781	G	90.8	Very high	86.1	Confident	32 Å²	32	73.9 Å²	73.9	33%	0.33	44%	0.444	S	S	.	.			trans	-58.8	174.1	171.3	0	0	0	0	0	113.4	S783 A800 N818	G781-S783 PolarHBondContact O-N 2.94Å; G781-A800 WeakPolarHBondContact CA-O 3.3Å; G781-N818 PolarHBondContact O-ND2 3.15Å
782	P	91.2	Very high	86.4	Confident	29 Å²	29	75.2 Å²	75.2	19%	0.188	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-68.2	129.7	-178.4	28	-33.6	0	0	0	110.7	I784 H795 L798 D799	P782-I784 PolarHBondContact O-N 3.29Å; P782-H795 HydrophobicContact CB-CB 3.89Å; P782-L798 HydrophobicContact CB-CB 4.36Å; P782-D799 WeakPolarHBondContact CD-O 3.32Å
783	S	89.6	Confident	86.9	Confident	46 Å²	46	74.3 Å²	74.3	32%	0.322	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-63.1	124.4	170.3	-46.3	0	0	0	0	111.2	G781 I792 H795	G781-S783 PolarHBondContact O-N 2.94Å; S783-I792 PolarHBondContact O-N 3.49Å; S783-H795 PolarHBondContact N-ND1 2.83Å; S783-H795 VanDerWaalsContact N-ND1 3.13Å; S783-H795 PolarHBondContact OG-CE1 3.14Å; S783-H795 PolarHBondContact OG-ND1 3.05Å
784	I	86.6	Confident	87.5	Confident	108 Å²	108	77.2 Å²	77.2	55%	0.554	44%	0.442	S	S	*	.	B	Isolated β-bridge	trans	-96.1	129.8	175.7	-57	173.3	0	0	0	108.2	P782 V786	P782-I784 PolarHBondContact O-N 3.29Å; I784-V786 PolarHBondContact O-N 3.37Å
785	E	85.2	Confident	88.1	Confident	98 Å²	98	74.6 Å²	74.6	46%	0.458	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-74.8	119.5	174.7	-174.1	178	-137.8	0	0	109.6	A787 T788 G789 R790	E785-A787 HydrophobicContact CG-CB 4.45Å; E785-A787 PolarHBondContact O-N 2.69Å; E785-T788 PolarHBondContact O-N 3.47Å; E785-T788 WeakPolarHBondContact OE2-CG2 3.28Å; E785-T788 PolarHBondContact OE2-OG1 2.96Å; E785-G789 WeakPolarHBondContact O-CA 3.3Å; E785-G789 PolarHBondContact O-N 3.06Å; E785-R790 PolarHBondContact N-O 3.17Å
786	V	82.3	Confident	88.5	Confident	147 Å²	147	77.1 Å²	77.1	89%	0.891	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-32.9	-174.4	-176.8	0	0	0	0	112.1	I784	I784-V786 PolarHBondContact O-N 3.37Å
787	A	83.4	Confident	88.8	Confident	95 Å²	95	75 Å²	75	79%	0.785	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-35.4	-176.9	0	0	0	0	0	113.9	E785	E785-A787 HydrophobicContact CG-CB 4.45Å; E785-A787 PolarHBondContact O-N 2.69Å
788	T	84.6	Confident	88.9	Confident	77 Å²	77	74.8 Å²	74.8	47%	0.472	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-16	-173.4	59.3	0	0	0	0	113	E785 R790	E785-T788 PolarHBondContact O-N 3.47Å; E785-T788 WeakPolarHBondContact OE2-CG2 3.28Å; E785-T788 PolarHBondContact OE2-OG1 2.96Å; T788-R790 PolarHBondContact O-N 2.94Å; T788-R790 PolarHBondContact OG1-N 3.03Å
789	G	82.3	Confident	89	Confident	57 Å²	57	73.7 Å²	73.7	59%	0.588	41%	0.409	S	S	*	.	S	Bend	trans	65.7	7.9	-170	0	0	0	0	0	113.3	E785	E785-G789 WeakPolarHBondContact O-CA 3.3Å; E785-G789 PolarHBondContact O-N 3.06Å
790	R	83.9	Confident	88.9	Confident	193 Å²	193	75.8 Å²	75.8	73%	0.728	43%	0.43	S	S	*	.	S	Bend	trans	-100.6	153.7	-179.8	-65.9	-176	179.8	-176.6	0.1	110.5	E785 T788	E785-R790 PolarHBondContact N-O 3.17Å; T788-R790 PolarHBondContact O-N 2.94Å; T788-R790 PolarHBondContact OG1-N 3.03Å
791	C	85.8	Confident	89.1	Confident	54 Å²	54	77 Å²	77	37%	0.365	44%	0.436	S	S	.	.	B	Isolated β-bridge	trans	-64.2	143.8	170.8	-69.9	0	0	0	0	110
792	I	90.5	Very high	89.2	Confident	73 Å²	73	75.4 Å²	75.4	37%	0.374	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-57.8	141.3	172.1	-56.3	173.8	0	0	0	108.5	S783 K794 H795 E796	S783-I792 PolarHBondContact O-N 3.49Å; I792-K794 HydrophobicContact CG2-CB 4.4Å; I792-K794 PolarHBondContact O-N 3.32Å; I792-H795 CarbonylContact O-C 3.57Å; I792-H795 WeakPolarHBondContact O-CA 3.34Å; I792-H795 PolarHBondContact O-N 3.5Å; I792-E796 PolarHBondContact O-N 2.91Å
793	W	91.8	Very high	89.4	Confident	119 Å²	119	74.7 Å²	74.7	45%	0.451	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-48.6	-35.5	-179.7	174.1	76.9	0	0	0	114.2	H795 E796 Q811 N812 N813 Q814	W793-H795 PolarHBondContact O-N 3.14Å; W793-E796 WeakPolarHBondContact O-CB 3.1Å; W793-E796 PolarHBondContact O-N 2.71Å; W793-Q811 HydrophobicContact CZ2-CB 4.38Å; W793-N812 VanDerWaalsContact CH2-O 3.31Å; W793-N812 WeakPolarHBondContact CH2-O 3.42Å; W793-N813 HydrophobicContact CZ3-CB 4.43Å; W793-Q814 HydrophobicContact CH2-CG 4.29Å; W793-Q814 HydrophobicContact CZ2-CG 4.19Å; W793-Q814 PolarHBondContact O-NE2 3.18Å
794	K	92.1	Very high	89.7	Confident	118 Å²	118	72.7 Å²	72.7	51%	0.513	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-62.4	-29.1	175.9	-70	-175.1	179.2	176.2	0	113.8	I792 V815	I792-K794 HydrophobicContact CG2-CB 4.4Å; I792-K794 PolarHBondContact O-N 3.32Å; K794-V815 HydrophobicContact CB-CG2 4.39Å; K794-V815 PolarHBondContact O-N 3.22Å
795	H	94	Very high	90.1	Very high	14 Å²	14	72.6 Å²	72.6	7%	0.065	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-105.8	2	-175.3	-65.6	172	0	0	0	113	P782 S783 I792 W793 A797 L798	P782-H795 HydrophobicContact CB-CB 3.89Å; S783-H795 PolarHBondContact N-ND1 2.83Å; S783-H795 VanDerWaalsContact N-ND1 3.13Å; S783-H795 PolarHBondContact OG-CE1 3.14Å; S783-H795 PolarHBondContact OG-ND1 3.05Å; I792-H795 CarbonylContact O-C 3.57Å; I792-H795 WeakPolarHBondContact O-CA 3.34Å; I792-H795 PolarHBondContact O-N 3.5Å; W793-H795 PolarHBondContact O-N 3.14Å; H795-A797 PolarHBondContact O-N 2.73Å; H795-A797 VanDerWaalsContact O-N 3.15Å; H795-L798 HydrophobicContact CB-CD1 3.9Å; H795-L798 HydrophobicContact CB-CG 4.43Å; H795-L798 WeakPolarHBondContact O-CB 3.28Å; H795-L798 PolarHBondContact O-N 3.06Å
796	E	91.9	Very high	90.5	Very high	109 Å²	109	71.3 Å²	71.3	51%	0.509	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-33.9	-175.6	-173.1	177.2	-173.1	0	0	113.5	I792 W793 R805	I792-E796 PolarHBondContact O-N 2.91Å; W793-E796 WeakPolarHBondContact O-CB 3.1Å; W793-E796 PolarHBondContact O-N 2.71Å; E796-R805 PolarHBondContact O-NH1 3.47Å; E796-R805 PolarHBondContact O-NH2 3.36Å
797	A	92.5	Very high	91.1	Very high	4 Å²	4	66.8 Å²	66.8	3%	0.033	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-11.4	179.1	0	0	0	0	0	114.2	H795 V804 R805 A808 V810	H795-A797 PolarHBondContact O-N 2.73Å; H795-A797 VanDerWaalsContact O-N 3.15Å; A797-V804 HydrophobicContact CB-CG2 3.97Å; A797-V804 WeakPolarHBondContact O-CG2 3.26Å; A797-R805 PolarHBondContact O-N 3.46Å; A797-R805 VanDerWaalsContact O-N 3.1Å; A797-A808 HydrophobicContact CB-CB 4.33Å; A797-V810 HydrophobicContact CB-CG2 4.16Å
798	L	94.4	Very high	91.6	Very high	4 Å²	4	63 Å²	63	2%	0.021	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-77.3	143	-178.2	-62.3	-179.9	0	0	0	111.8	P782 H795 V804 R805 V815 N818	P782-L798 HydrophobicContact CB-CB 4.36Å; H795-L798 HydrophobicContact CB-CD1 3.9Å; H795-L798 HydrophobicContact CB-CG 4.43Å; H795-L798 WeakPolarHBondContact O-CB 3.28Å; H795-L798 PolarHBondContact O-N 3.06Å; L798-V804 HydrophobicContact CD2-CB 4.4Å; L798-R805 PolarHBondContact O-NH1 2.84Å; L798-V815 HydrophobicContact CD1-CB 4.21Å; L798-V815 HydrophobicContact CD1-CG1 4.06Å; L798-V815 HydrophobicContact CD2-CG1 4.26Å; L798-V815 VanDerWaalsContact CD2-O 3.25Å; L798-V815 WeakPolarHBondContact CD2-O 3.48Å; L798-N818 HydrophobicContact CD1-CB 3.83Å
799	D	93.2	Very high	92.1	Very high	79 Å²	79	63 Å²	63	42%	0.422	35%	0.348	S	S	.	.			trans	-81.8	175.8	167.6	-149.9	-12.6	0	0	0	111.2	P782 D801 G802 I803 R805	P782-D799 WeakPolarHBondContact CD-O 3.32Å; D799-D801 PolarHBondContact O-N 2.96Å; D799-G802 PolarHBondContact O-N 3.08Å; D799-I803 WeakPolarHBondContact CB-O 3.39Å; D799-I803 PolarHBondContact N-O 3.3Å; D799-R805 HydrophobicContact CB-CG 3.68Å
800	A	91.6	Very high	92.7	Very high	80 Å²	80	60.2 Å²	60.2	66%	0.661	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-26.3	-178.1	0	0	0	0	0	113.8	G781 G802	G781-A800 WeakPolarHBondContact CA-O 3.3Å; A800-G802 VanDerWaalsContact C-N 3.26Å; A800-G802 PolarHBondContact O-N 2.85Å
801	D	92.8	Very high	93.2	Very high	80 Å²	80	55.1 Å²	55.1	43%	0.428	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-5	176.5	67.9	-4.8	0	0	0	113.8	V779 D799 I803	V779-D801 VanDerWaalsContact CG1-O 3.3Å; V779-D801 WeakPolarHBondContact CG1-O 3.4Å; D799-D801 PolarHBondContact O-N 2.96Å; D801-I803 WeakPolarHBondContact OD1-CB 3.3Å; D801-I803 PolarHBondContact OD1-N 3.19Å
802	G	93.1	Very high	93.5	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.305	C	S	.	.	S	Bend	trans	81.6	11.7	-177.3	0	0	0	0	0	114.7	N780 D799 A800 N818	N780-G802 WeakPolarHBondContact O-CA 3.34Å; D799-G802 PolarHBondContact O-N 3.08Å; A800-G802 VanDerWaalsContact C-N 3.26Å; A800-G802 PolarHBondContact O-N 2.85Å; G802-N818 PolarHBondContact O-N 3.35Å
803	I	95.4	Very high	93.5	Very high	13 Å²	13	56.5 Å²	56.5	7%	0.067	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-108.5	145.6	174.2	-53.7	174.1	0	0	0	108.8	V779 D799 D801 V817 V861 I863 V873	V779-I803 HydrophobicContact CG1-CG1 4.37Å; D799-I803 WeakPolarHBondContact CB-O 3.39Å; D799-I803 PolarHBondContact N-O 3.3Å; D801-I803 WeakPolarHBondContact OD1-CB 3.3Å; D801-I803 PolarHBondContact OD1-N 3.19Å; I803-V817 HydrophobicContact CG2-CG2 4.41Å; I803-V861 HydrophobicContact CG2-CG1 3.57Å; I803-I863 HydrophobicContact CD1-CD1 3.74Å; I803-I863 HydrophobicContact CD1-CG1 4.29Å; I803-V873 HydrophobicContact CD1-CG1 4.31Å; I803-V873 HydrophobicContact CD1-CG2 4.18Å; I803-V873 HydrophobicContact CG2-CG1 4.05Å
804	V	95.8	Very high	93.7	Very high	5 Å²	5	51.1 Å²	51.1	3%	0.03	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-62.5	143	-179.1	66.2	0	0	0	0	113.1	A797 L798 A808 V810 L816 V858 V861 V875	A797-V804 HydrophobicContact CB-CG2 3.97Å; A797-V804 WeakPolarHBondContact O-CG2 3.26Å; L798-V804 HydrophobicContact CD2-CB 4.4Å; V804-A808 HydrophobicContact CG2-CB 4.31Å; V804-V810 HydrophobicContact CG2-CG2 3.92Å; V804-L816 HydrophobicContact CB-CD2 4.41Å; V804-L816 WeakPolarHBondContact CB-O 3.45Å; V804-L816 HydrophobicContact CG1-CB 4.47Å; V804-L816 HydrophobicContact CG1-CD2 4.17Å; V804-L816 HydrophobicContact CG2-CD2 4.4Å; V804-L816 PolarHBondContact N-O 2.77Å; V804-V858 HydrophobicContact CB-CG2 4.45Å; V804-V858 HydrophobicContact CG1-CG1 4.05Å; V804-V858 HydrophobicContact CG1-CG2 3.9Å; V804-V858 HydrophobicContact CG2-CG2 3.7Å; V804-V861 HydrophobicContact CG1-CG2 4.13Å; V804-V861 WeakPolarHBondContact O-CG2 3.36Å; V804-V875 HydrophobicContact CG1-CG1 3.64Å; V804-V875 HydrophobicContact CG1-CG2 4.07Å
805	R	94.9	Very high	93.8	Very high	105 Å²	105	45.7 Å²	45.7	40%	0.396	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-71.5	139.2	176.2	-64	-177	-63	-87.9	-3.3	112	E796 A797 L798 D799 G807 A808	E796-R805 PolarHBondContact O-NH1 3.47Å; E796-R805 PolarHBondContact O-NH2 3.36Å; A797-R805 PolarHBondContact O-N 3.46Å; A797-R805 VanDerWaalsContact O-N 3.1Å; L798-R805 PolarHBondContact O-NH1 2.84Å; D799-R805 HydrophobicContact CB-CG 3.68Å; R805-G807 PolarHBondContact O-N 2.66Å; R805-A808 HydrophobicContact CB-CB 4.2Å; R805-A808 VanDerWaalsContact O-CB 3.3Å; R805-A808 WeakPolarHBondContact O-CB 3.37Å; R805-A808 PolarHBondContact O-N 3.37Å
806	A	94.3	Very high	93.9	Very high	71 Å²	71	45.1 Å²	45.1	59%	0.587	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	134.7	167.4	0	0	0	0	0	110.2	A808	A806-A808 VanDerWaalsContact C-N 3.34Å
807	G	94	Very high	94	Very high	53 Å²	53	39.9 Å²	39.9	55%	0.546	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	-10.5	-174.3	0	0	0	0	0	115	R805 V858	R805-G807 PolarHBondContact O-N 2.66Å; G807-V858 VanDerWaalsContact CA-O 3.29Å; G807-V858 WeakPolarHBondContact CA-O 3.4Å; G807-V858 PolarHBondContact N-O 3.03Å
808	A	94.2	Very high	94.2	Very high	14 Å²	14	39.8 Å²	39.8	12%	0.116	24%	0.237	C	C	.	.			trans	-66.5	139.7	-179.5	0	0	0	0	0	112.2	A797 V804 R805 A806 Y857 V858	A797-A808 HydrophobicContact CB-CB 4.33Å; V804-A808 HydrophobicContact CG2-CB 4.31Å; R805-A808 HydrophobicContact CB-CB 4.2Å; R805-A808 VanDerWaalsContact O-CB 3.3Å; R805-A808 WeakPolarHBondContact O-CB 3.37Å; R805-A808 PolarHBondContact O-N 3.37Å; A806-A808 VanDerWaalsContact C-N 3.34Å; A808-Y857 WeakPolarHBondContact O-CA 3.4Å; A808-V858 PolarHBondContact O-N 2.97Å
809	L	95.9	Very high	94.2	Very high	77 Å²	77	41 Å²	41	40%	0.403	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	118.3	167.6	-176.2	74.4	0	0	0	108.5	P855 C856 Y857	L809-P855 HydrophobicContact CD1-CB 3.93Å; L809-P855 HydrophobicContact CG-CB 4.43Å; L809-C856 WeakPolarHBondContact CA-O 3.31Å; L809-Y857 HydrophobicContact CB-CD1 4.39Å; L809-Y857 HydrophobicContact CB-CE1 4.11Å; L809-Y857 HydrophobicContact CD1-CD1 4.16Å; L809-Y857 HydrophobicContact CD1-CD2 4.3Å; L809-Y857 HydrophobicContact CD1-CE1 3.74Å; L809-Y857 HydrophobicContact CD1-CE2 3.89Å; L809-Y857 HydrophobicContact CD1-CG 4.44Å
810	V	95	Very high	94.2	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	128.2	178.9	-178.2	0	0	0	0	109.4	A797 V804 Q814 L816 Y850 P855 C856 V858	A797-V810 HydrophobicContact CB-CG2 4.16Å; V804-V810 HydrophobicContact CG2-CG2 3.92Å; V810-Q814 HydrophobicContact CG1-CB 3.97Å; V810-L816 HydrophobicContact CG1-CD2 3.96Å; V810-L816 HydrophobicContact CG2-CD2 4.08Å; V810-Y850 HydrophobicContact CG1-CD1 3.87Å; V810-Y850 HydrophobicContact CG1-CG 3.83Å; V810-P855 WeakPolarHBondContact O-CA 3.49Å; V810-C856 PolarHBondContact N-O 2.98Å; V810-C856 PolarHBondContact O-N 3Å; V810-V858 HydrophobicContact CG2-CG2 3.66Å
811	Q	94.2	Very high	94.2	Very high	86 Å²	86	35.8 Å²	35.8	40%	0.402	20%	0.204	S	C	.	.			trans	-99.7	162.7	175.1	-63.8	-175	-10.1	0	0	111.3	W793 N813 Q814 Y850	W793-Q811 HydrophobicContact CZ2-CB 4.38Å; Q811-N813 PolarHBondContact O-N 3.28Å; Q811-Q814 HydrophobicContact CB-CG 4.49Å; Q811-Q814 WeakPolarHBondContact O-CB 3.3Å; Q811-Q814 PolarHBondContact O-N 3.29Å; Q811-Y850 WeakPolarHBondContact O-CD1 3.26Å
812	N	91.7	Very high	94	Very high	70 Å²	70	32.1 Å²	32.1	37%	0.374	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	136.4	-179.8	-164.7	29.7	0	0	0	110.9	W793 Q814 R851 G852	W793-N812 VanDerWaalsContact CH2-O 3.31Å; W793-N812 WeakPolarHBondContact CH2-O 3.42Å; N812-Q814 VanDerWaalsContact C-N 3.33Å; N812-Q814 PolarHBondContact O-N 3.13Å; N812-R851 WeakPolarHBondContact OD1-CA 3.22Å; N812-G852 PolarHBondContact OD1-N 2.88Å
813	N	91.5	Very high	93.5	Very high	85 Å²	85	36 Å²	36	46%	0.455	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	3.8	-176.3	-56.6	-40.7	0	0	0	117.5	W793 Q811 Y850	W793-N813 HydrophobicContact CZ3-CB 4.43Å; Q811-N813 PolarHBondContact O-N 3.28Å; N813-Y850 PolarHBondContact N-O 2.87Å
814	Q	94.5	Very high	92.5	Very high	6 Å²	6	38.4 Å²	38.4	3%	0.028	22%	0.224	C	C	.	.			trans	-76.8	151.5	168.6	-72.3	-177.5	-32.4	0	0	111.9	W793 V810 Q811 N812 Y850	W793-Q814 HydrophobicContact CH2-CG 4.29Å; W793-Q814 HydrophobicContact CZ2-CG 4.19Å; W793-Q814 PolarHBondContact O-NE2 3.18Å; V810-Q814 HydrophobicContact CG1-CB 3.97Å; Q811-Q814 HydrophobicContact CB-CG 4.49Å; Q811-Q814 WeakPolarHBondContact O-CB 3.3Å; Q811-Q814 PolarHBondContact O-N 3.29Å; N812-Q814 VanDerWaalsContact C-N 3.33Å; N812-Q814 PolarHBondContact O-N 3.13Å; Q814-Y850 PolarHBondContact O-N 2.88Å
815	V	95.1	Very high	90.8	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.024	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	132.8	-178.2	179.8	0	0	0	0	109.8	K794 L798 V817 N818 P847 V849	K794-V815 HydrophobicContact CB-CG2 4.39Å; K794-V815 PolarHBondContact O-N 3.22Å; L798-V815 HydrophobicContact CD1-CB 4.21Å; L798-V815 HydrophobicContact CD1-CG1 4.06Å; L798-V815 HydrophobicContact CD2-CG1 4.26Å; L798-V815 VanDerWaalsContact CD2-O 3.25Å; L798-V815 WeakPolarHBondContact CD2-O 3.48Å; V815-V817 VanDerWaalsContact CG1-C 3.47Å; V815-V817 WeakPolarHBondContact CG1-O 3.42Å; V815-N818 HydrophobicContact CG1-CB 4.2Å; V815-P847 HydrophobicContact CG1-CB 3.72Å; V815-P847 HydrophobicContact CG2-CB 4.08Å; V815-V849 HydrophobicContact CG2-CG2 4.4Å
816	L	95.1	Very high	89	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-38.8	173	-63.2	176.2	0	0	0	112	A764 V804 V810 L848 V858 V875	A764-L816 HydrophobicContact CB-CD1 4.17Å; V804-L816 HydrophobicContact CB-CD2 4.41Å; V804-L816 WeakPolarHBondContact CB-O 3.45Å; V804-L816 HydrophobicContact CG1-CB 4.47Å; V804-L816 HydrophobicContact CG1-CD2 4.17Å; V804-L816 HydrophobicContact CG2-CD2 4.4Å; V804-L816 PolarHBondContact N-O 2.77Å; V810-L816 HydrophobicContact CG1-CD2 3.96Å; V810-L816 HydrophobicContact CG2-CD2 4.08Å; L816-L848 HydrophobicContact CB-CD2 4.25Å; L816-L848 HydrophobicContact CB-CG 4.27Å; L816-L848 HydrophobicContact CD1-CD2 4.41Å; L816-L848 HydrophobicContact CD1-CG 4.4Å; L816-L848 PolarHBondContact N-O 3.43Å; L816-V858 HydrophobicContact CD2-CG2 4.47Å; L816-V875 HydrophobicContact CD2-CG1 4.43Å
817	V	95.8	Very high	87.2	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	120.5	176.7	-177.6	0	0	0	0	108.6	C766 V779 I803 V815 K819 P847 L848 V873 V875	C766-V817 HydrophobicContact CB-CB 4.4Å; C766-V817 HydrophobicContact CB-CG1 4.42Å; C766-V817 HydrophobicContact CB-CG2 4.24Å; V779-V817 HydrophobicContact CG1-CG1 4.15Å; V779-V817 HydrophobicContact CG2-CG1 4.05Å; I803-V817 HydrophobicContact CG2-CG2 4.41Å; V815-V817 VanDerWaalsContact CG1-C 3.47Å; V815-V817 WeakPolarHBondContact CG1-O 3.42Å; V817-K819 VanDerWaalsContact C-N 3.28Å; V817-K819 PolarHBondContact O-N 3.09Å; V817-P847 WeakPolarHBondContact O-CA 3.39Å; V817-L848 HydrophobicContact CB-CB 4.03Å; V817-L848 HydrophobicContact CG2-CD2 4.15Å; V817-L848 PolarHBondContact N-O 3.47Å; V817-L848 PolarHBondContact O-N 3.45Å; V817-V873 HydrophobicContact CG2-CG1 4Å; V817-V875 HydrophobicContact CG2-CG2 4.23Å
818	N	95.6	Very high	85.2	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	26%	0.26	C	S	.	.			trans	-84.1	69.2	-179.2	-170.6	22.7	0	0	0	111.9	V779 N780 G781 L798 G802 V815	V779-N818 WeakPolarHBondContact CA-O 3.3Å; N780-N818 PolarHBondContact N-O 2.93Å; N780-N818 VanDerWaalsContact N-O 3.13Å; N780-N818 WeakPolarHBondContact O-CB 3.46Å; N780-N818 PolarHBondContact O-ND2 2.66Å; N780-N818 VanDerWaalsContact O-ND2 3.1Å; G781-N818 PolarHBondContact O-ND2 3.15Å; L798-N818 HydrophobicContact CD1-CB 3.83Å; G802-N818 PolarHBondContact O-N 3.35Å; V815-N818 HydrophobicContact CG1-CB 4.2Å
819	K	95	Very high	83.2	Confident	29 Å²	29	50.5 Å²	50.5	13%	0.126	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	137.5	-177.5	179.2	-177.7	178.5	173.1	0	112.3	A767 L768 D777 V817 V821 S846	A767-K819 PolarHBondContact O-NZ 3.42Å; L768-K819 HydrophobicContact CD2-CD 4.21Å; L768-K819 HydrophobicContact CD2-CG 4.06Å; D777-K819 VanDerWaalsContact CG-CE 3.43Å; D777-K819 WeakPolarHBondContact OD2-CE 3.2Å; D777-K819 IonicContact OD2-NZ 3.81Å; D777-K819 PolarHBondContact OD2-NZ 3.06Å; V817-K819 VanDerWaalsContact C-N 3.28Å; V817-K819 PolarHBondContact O-N 3.09Å; K819-V821 HydrophobicContact CD-CG2 4.42Å; K819-V821 VanDerWaalsContact CE-CG2 3.5Å; K819-S846 CarbonylContact O-C 3.59Å; K819-S846 VanDerWaalsContact O-C 3.27Å; K819-S846 WeakPolarHBondContact O-CA 3.01Å; K819-S846 PolarHBondContact O-N 3.18Å; K819-S846 PolarHBondContact O-OG 2.89Å
820	M	92.8	Very high	80.9	Confident	18 Å²	18	52.2 Å²	52.2	9%	0.089	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	140.1	169.6	-65.8	-171.7	175.8	0	0	111.4	D777 R778 N780 Y843 K844 E845	D777-M820 WeakPolarHBondContact CA-O 3.23Å; R778-M820 HydrophobicContact CG-CB 3.89Å; R778-M820 PolarHBondContact N-O 2.93Å; R778-M820 PolarHBondContact O-N 3.3Å; N780-M820 HydrophobicContact CB-CE 3.93Å; N780-M820 HydrophobicContact CB-SD 4.25Å; N780-M820 VanDerWaalsContact CG-SD 3.58Å; N780-M820 WeakPolarHBondContact ND2-CE 3.46Å; N780-M820 PolarHBondContact ND2-SD 3.24Å; M820-Y843 HydrophobicContact CB-CD1 4.08Å; M820-Y843 HydrophobicContact CB-CG 4.48Å; M820-K844 WeakPolarHBondContact CA-O 3.35Å; M820-E845 HydrophobicContact CE-CG 3.88Å; M820-E845 HydrophobicContact CG-CG 4.37Å
821	V	91	Very high	78.7	Confident	32 Å²	32	53.9 Å²	53.9	19%	0.194	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	137.4	-177.4	172.1	0	0	0	0	108.9	K819 Y843 K844 S846	K819-V821 HydrophobicContact CD-CG2 4.42Å; K819-V821 VanDerWaalsContact CE-CG2 3.5Å; V821-Y843 CarbonylContact O-C 3.48Å; V821-Y843 WeakPolarHBondContact O-CA 3.38Å; V821-K844 PolarHBondContact N-O 3.37Å; V821-K844 PolarHBondContact O-N 3.35Å; V821-S846 WeakPolarHBondContact CG2-OG 3.18Å
822	P	88.9	Confident	76.8	Confident	4 Å²	4	58.5 Å²	58.5	3%	0.026	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	139	174.6	25.1	-34	0	0	0	111.2	Y771 M775 T824 P825 E842 Y843	Y771-P822 HydrophobicContact CD2-CG 3.86Å; Y771-P822 HydrophobicContact CE2-CG 3.57Å; M775-P822 HydrophobicContact CB-CG 4.27Å; M775-P822 HydrophobicContact SD-CB 3.94Å; P822-T824 VanDerWaalsContact C-N 3.32Å; P822-T824 PolarHBondContact O-N 3.45Å; P822-P825 HydrophobicContact CG-CB 4.4Å; P822-P825 WeakPolarHBondContact O-CD 3.39Å; P822-E842 WeakPolarHBondContact CA-O 3.39Å; P822-Y843 HydrophobicContact CB-CE1 4.4Å
823	V	82.6	Confident	75	Confident	80 Å²	80	61.7 Å²	61.7	49%	0.485	36%	0.358	S	S	.	.	S	Bend	trans	-66.3	-34.7	-176.8	176.1	0	0	0	0	112	P825 E842 K844	V823-P825 WeakPolarHBondContact O-CD 3.21Å; V823-E842 HydrophobicContact CB-CB 4.5Å; V823-E842 HydrophobicContact CG2-CB 4.1Å; V823-E842 PolarHBondContact N-O 3.25Å; V823-K844 HydrophobicContact CG2-CB 4.03Å
824	T	74.6	Confident	73.3	Confident	65 Å²	65	64.8 Å²	64.8	40%	0.399	38%	0.375	S	S	.	.			trans	-118.6	68.2	-175.3	-31.8	0	0	0	0	111.5	P822 G826 E827	P822-T824 VanDerWaalsContact C-N 3.32Å; P822-T824 PolarHBondContact O-N 3.45Å; T824-G826 PolarHBondContact O-N 3.23Å; T824-E827 HydrophobicContact CG2-CB 3.91Å; T824-E827 HydrophobicContact CG2-CG 4.22Å
825	P	60.8	Low	71.1	Confident	47 Å²	47	71.6 Å²	71.6	31%	0.305	41%	0.407	S	S	.	.	S	Bend	trans	-73.9	-6.5	-174.8	28.7	-33.5	0	0	0	114.3	Y771 P822 V823	Y771-P825 HydrophobicContact CD1-CB 3.53Å; Y771-P825 HydrophobicContact CD2-CB 4.32Å; Y771-P825 HydrophobicContact CE1-CB 3.54Å; Y771-P825 HydrophobicContact CE1-CG 4.41Å; Y771-P825 HydrophobicContact CE2-CB 4.34Å; Y771-P825 HydrophobicContact CG-CB 3.95Å; P822-P825 HydrophobicContact CG-CB 4.4Å; P822-P825 WeakPolarHBondContact O-CD 3.39Å; V823-P825 WeakPolarHBondContact O-CD 3.21Å
826	G	56.7	Low	68.8	Low	69 Å²	69	77.3 Å²	77.3	71%	0.711	44%	0.444	S	S	*	.	S	Bend	trans	-126.2	-10.6	-166.2	0	0	0	0	0	117.3	T824	T824-G826 PolarHBondContact O-N 3.23Å
827	E	55.1	Low	66.7	Low	127 Å²	127	83.7 Å²	83.7	59%	0.593	48%	0.477	S	S	*	.			trans	-99.5	116.1	-180	-70.3	-178.4	164.7	0	0	110.6	T824 L829	T824-E827 HydrophobicContact CG2-CB 3.91Å; T824-E827 HydrophobicContact CG2-CG 4.22Å; E827-L829 VanDerWaalsContact C-N 3.33Å; E827-L829 PolarHBondContact O-N 3.3Å; E827-L829 VanDerWaalsContact O-N 3.14Å
828	V	53.6	Low	64.6	Low	118 Å²	118	95.4 Å²	95.4	72%	0.715	52%	0.522	S	S	*	.			trans	-77.4	90.7	162.8	-174.4	0	0	0	0	106.1	T830	V828-T830 VanDerWaalsContact C-N 3.34Å; V828-T830 HydrophobicContact CG1-CG2 4.32Å; V828-T830 PolarHBondContact O-N 2.94Å
829	L	51.1	Low	62.6	Low	141 Å²	141	100.3 Å²	100.3	74%	0.738	55%	0.551	S	S	*	*			trans	-69.7	92.9	173.4	-78.6	158.7	0	0	0	108.7	E827	E827-L829 VanDerWaalsContact C-N 3.33Å; E827-L829 PolarHBondContact O-N 3.3Å; E827-L829 VanDerWaalsContact O-N 3.14Å
830	T	48	Very low	60.8	Low	113 Å²	113	107.5 Å²	107.5	69%	0.693	59%	0.586	S	S	*	*			trans	-78.3	115.4	165.1	43	0	0	0	0	108.8	V828	V828-T830 VanDerWaalsContact C-N 3.34Å; V828-T830 HydrophobicContact CG1-CG2 4.32Å; V828-T830 PolarHBondContact O-N 2.94Å
831	S	48.2	Very low	59.5	Low	34 Å²	34	108.1 Å²	108.1	24%	0.238	59%	0.593	C	S	.	*			trans	-63.5	153.3	164.7	56.9	0	0	0	0	109.9	D833 N834 Q835	S831-D833 PolarHBondContact O-N 3.45Å; S831-N834 PolarHBondContact O-N 3.36Å; S831-Q835 PolarHBondContact OG-O 2.91Å
832	L	55	Low	59	Low	184 Å²	184	113.8 Å²	113.8	96%	0.963	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.2	-18.4	174.9	-85.9	132.8	0	0	0	113.4
833	D	53.2	Low	58.8	Low	136 Å²	136	116.5 Å²	116.5	73%	0.727	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	11	-174	-72.5	-31	0	0	0	115.3	S831 Q835	S831-D833 PolarHBondContact O-N 3.45Å; D833-Q835 PolarHBondContact O-N 3.4Å
834	N	55.7	Low	59.2	Low	151 Å²	151	119.7 Å²	119.7	81%	0.807	64%	0.635	S	S	*	*			trans	55	15.1	-179.8	-91	-21	0	0	0	115.2	S831	S831-N834 PolarHBondContact O-N 3.36Å
835	Q	48.4	Very low	59.9	Low	148 Å²	148	122 Å²	122	69%	0.692	64%	0.642	S	S	*	*			trans	-90.3	133.3	175.1	-70.9	-165.7	4.2	0	0	110.9	S831 D833 L837	S831-Q835 PolarHBondContact OG-O 2.91Å; D833-Q835 PolarHBondContact O-N 3.4Å; Q835-L837 PolarHBondContact O-N 2.85Å
836	P	48.5	Very low	61.4	Low	124 Å²	124	122 Å²	122	81%	0.805	64%	0.643	S	S	*	*			trans	-70.6	98.3	176.5	29	-32	0	0	0	109.3	R838	P836-R838 PolarHBondContact O-N 3.43Å; P836-R838 VanDerWaalsContact O-N 3.13Å
837	L	51.1	Low	63.2	Low	136 Å²	136	120.9 Å²	120.9	71%	0.712	62%	0.623	S	S	*	*			trans	-65.5	109.5	162.7	-81.7	155.5	0	0	0	107.3	Q835 V839	Q835-L837 PolarHBondContact O-N 2.85Å; L837-V839 HydrophobicContact CB-CG2 4.01Å; L837-V839 PolarHBondContact O-N 3.26Å
838	R	49.8	Very low	65	Low	247 Å²	247	116.8 Å²	116.8	93%	0.932	61%	0.605	S	S	*	*			trans	-67.8	77.5	162	-77.9	-175.2	177	177	-0.1	107.8	P836 E840	P836-R838 PolarHBondContact O-N 3.43Å; P836-R838 VanDerWaalsContact O-N 3.13Å; R838-E840 PolarHBondContact O-N 3.25Å
839	V	54.7	Low	66.9	Low	103 Å²	103	113.3 Å²	113.3	62%	0.624	58%	0.584	S	S	*	*			trans	-68.4	121.3	167.4	-174.7	0	0	0	0	106.1	L837 A841	L837-V839 HydrophobicContact CB-CG2 4.01Å; L837-V839 PolarHBondContact O-N 3.26Å; V839-A841 PolarHBondContact O-N 2.9Å
840	E	57.8	Low	68.9	Low	181 Å²	181	106.8 Å²	106.8	85%	0.846	55%	0.549	S	S	*	.			trans	-54.8	114.1	168.1	-74.1	-173.1	159.4	0	0	107.6	R838 E842	R838-E840 PolarHBondContact O-N 3.25Å; E840-E842 PolarHBondContact O-N 2.85Å; E840-E842 VanDerWaalsContact O-N 3.1Å
841	A	63.9	Low	70.8	Confident	31 Å²	31	109.9 Å²	109.9	26%	0.256	55%	0.548	S	S	.	.			trans	-62.1	118.9	-177.3	0	0	0	0	0	108.9	M775 V839 Y843	M775-A841 HydrophobicContact CE-CB 3.89Å; M775-A841 HydrophobicContact SD-CB 4.01Å; V839-A841 PolarHBondContact O-N 2.9Å; A841-Y843 HydrophobicContact CB-CD2 4.38Å; A841-Y843 HydrophobicContact CB-CE2 3.73Å; A841-Y843 WeakPolarHBondContact O-CD2 3.39Å; A841-Y843 VanDerWaalsContact O-CE2 3.27Å; A841-Y843 WeakPolarHBondContact O-CE2 3.37Å
842	E	80.7	Confident	72.6	Confident	150 Å²	150	108.9 Å²	108.9	70%	0.701	54%	0.544	S	S	*	.			trans	-70.5	133.1	168.8	-74.4	-171.7	169.3	0	0	109.5	P822 V823 E840	P822-E842 WeakPolarHBondContact CA-O 3.39Å; V823-E842 HydrophobicContact CB-CB 4.5Å; V823-E842 HydrophobicContact CG2-CB 4.1Å; V823-E842 PolarHBondContact N-O 3.25Å; E840-E842 PolarHBondContact O-N 2.85Å; E840-E842 VanDerWaalsContact O-N 3.1Å
843	Y	85.9	Confident	73.9	Confident	61 Å²	61	103.3 Å²	103.3	24%	0.239	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	137.5	179.8	-74.5	-98	0	0	0	110.8	S776 R778 M820 V821 P822 A841	S776-Y843 WeakPolarHBondContact O-CE1 3.14Å; R778-Y843 HydrophobicContact CB-CE1 4.47Å; R778-Y843 HydrophobicContact CG-CD1 3.88Å; R778-Y843 HydrophobicContact CG-CE1 3.76Å; R778-Y843 VanDerWaalsContact CZ-CE2 3.43Å; M820-Y843 HydrophobicContact CB-CD1 4.08Å; M820-Y843 HydrophobicContact CB-CG 4.48Å; V821-Y843 CarbonylContact O-C 3.48Å; V821-Y843 WeakPolarHBondContact O-CA 3.38Å; P822-Y843 HydrophobicContact CB-CE1 4.4Å; A841-Y843 HydrophobicContact CB-CD2 4.38Å; A841-Y843 HydrophobicContact CB-CE2 3.73Å; A841-Y843 WeakPolarHBondContact O-CD2 3.39Å; A841-Y843 VanDerWaalsContact O-CE2 3.27Å; A841-Y843 WeakPolarHBondContact O-CE2 3.37Å
844	K	90.4	Very high	75.5	Confident	147 Å²	147	97.8 Å²	97.8	64%	0.639	49%	0.494	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102	134.7	171.7	-178.8	176.6	178.8	177	0	110.3	M820 V821 V823 S846	M820-K844 WeakPolarHBondContact CA-O 3.35Å; V821-K844 PolarHBondContact N-O 3.37Å; V821-K844 PolarHBondContact O-N 3.35Å; V823-K844 HydrophobicContact CG2-CB 4.03Å; K844-S846 PolarHBondContact O-N 3.15Å
845	E	89.7	Confident	77.3	Confident	114 Å²	114	94.5 Å²	94.5	53%	0.533	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	130.7	172.5	-69	-176.8	175.9	0	0	111.4	M820	M820-E845 HydrophobicContact CE-CG 3.88Å; M820-E845 HydrophobicContact CG-CG 4.37Å
846	S	91.9	Very high	79.5	Confident	47 Å²	47	87.4 Å²	87.4	33%	0.329	45%	0.447	S	S	.	.			trans	-141.3	54.5	175.3	58.5	0	0	0	0	111	K819 V821 K844	K819-S846 CarbonylContact O-C 3.59Å; K819-S846 VanDerWaalsContact O-C 3.27Å; K819-S846 WeakPolarHBondContact O-CA 3.01Å; K819-S846 PolarHBondContact O-N 3.18Å; K819-S846 PolarHBondContact O-OG 2.89Å; V821-S846 WeakPolarHBondContact CG2-OG 3.18Å; K844-S846 PolarHBondContact O-N 3.15Å
847	P	93.7	Very high	81.8	Confident	45 Å²	45	87.3 Å²	87.3	29%	0.292	43%	0.432	S	S	.	.			trans	-63.8	148.4	-171.7	27.6	-35.9	0	0	0	112.2	V815 V817 V849	V815-P847 HydrophobicContact CG1-CB 3.72Å; V815-P847 HydrophobicContact CG2-CB 4.08Å; V817-P847 WeakPolarHBondContact O-CA 3.39Å; P847-V849 HydrophobicContact CB-CG2 4.34Å; P847-V849 HydrophobicContact CG-CG2 4.14Å; P847-V849 PolarHBondContact O-N 3.35Å
848	L	93.6	Very high	84	Confident	42 Å²	42	80.9 Å²	80.9	22%	0.22	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	109.9	167.1	179.6	64.5	0	0	0	108.5	A764 C766 L816 V817	A764-L848 HydrophobicContact CB-CD1 4.42Å; A764-L848 HydrophobicContact CB-CD2 3.85Å; C766-L848 HydrophobicContact CB-CD2 4.05Å; L816-L848 HydrophobicContact CB-CD2 4.25Å; L816-L848 HydrophobicContact CB-CG 4.27Å; L816-L848 HydrophobicContact CD1-CD2 4.41Å; L816-L848 HydrophobicContact CD1-CG 4.4Å; L816-L848 PolarHBondContact N-O 3.43Å; V817-L848 HydrophobicContact CB-CB 4.03Å; V817-L848 HydrophobicContact CG2-CD2 4.15Å; V817-L848 PolarHBondContact N-O 3.47Å; V817-L848 PolarHBondContact O-N 3.45Å
849	V	93.5	Very high	86.1	Confident	45 Å²	45	72 Å²	72	27%	0.273	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	136.8	-175.9	-178.3	0	0	0	0	110.9	V815 P847	V815-V849 HydrophobicContact CG2-CG2 4.4Å; P847-V849 HydrophobicContact CB-CG2 4.34Å; P847-V849 HydrophobicContact CG-CG2 4.14Å; P847-V849 PolarHBondContact O-N 3.35Å
850	Y	93.3	Very high	87.9	Confident	4 Å²	4	70.5 Å²	70.5	2%	0.016	35%	0.352	C	S	.	.			trans	-72.8	126.2	172.1	177.8	-108.4	0	0	0	111	V810 Q811 N813 Q814 G854 C856 Y877 Q879	V810-Y850 HydrophobicContact CG1-CD1 3.87Å; V810-Y850 HydrophobicContact CG1-CG 3.83Å; Q811-Y850 WeakPolarHBondContact O-CD1 3.26Å; N813-Y850 PolarHBondContact N-O 2.87Å; Q814-Y850 PolarHBondContact O-N 2.88Å; Y850-G854 PolarHBondContact OH-O 2.9Å; Y850-C856 HydrophobicContact CE2-CB 4.44Å; Y850-C856 WeakPolarHBondContact CE2-SG 3.38Å; Y850-Y877 HydrophobicContact CD2-CD2 4.47Å; Y850-Y877 HydrophobicContact CD2-CE2 4.18Å; Y850-Y877 AromaticContact CE2-CD2 3.86Å; Y850-Y877 HydrophobicContact CE2-CD2 3.86Å; Y850-Y877 AromaticContact CE2-CE2 3.55Å; Y850-Y877 HydrophobicContact CE2-CE2 3.55Å; Y850-Q879 PolarHBondContact OH-NE2 2.97Å
851	R	88.2	Confident	89.7	Confident	177 Å²	177	64 Å²	64	67%	0.668	33%	0.325	S	S	*	.			trans	-127.6	113.4	174.1	-63.6	-175.4	-175	-179.3	1	109.7	N812	N812-R851 WeakPolarHBondContact OD1-CA 3.22Å
852	G	84.7	Confident	91.1	Very high	14 Å²	14	64.7 Å²	64.7	14%	0.144	32%	0.324	C	S	.	.			trans	-160.3	161.7	-176.1	0	0	0	0	0	113.4	N812 G854	N812-G852 PolarHBondContact OD1-N 2.88Å; G852-G854 PolarHBondContact O-N 3.01Å
853	P	82.6	Confident	91.7	Very high	67 Å²	67	62.1 Å²	62.1	44%	0.435	31%	0.314	S	S	.	.	S	Bend	trans	-71.8	-16.1	-175.5	29.4	-35.6	0	0	0	113.9	M1009	P853-M1009 HydrophobicContact CB-CG 4Å; P853-M1009 HydrophobicContact CG-CG 3.8Å; P853-M1009 HydrophobicContact CG-SD 4.29Å
854	G	87.3	Confident	92	Very high	20 Å²	20	60.4 Å²	60.4	21%	0.206	31%	0.31	C	S	.	.	S	Bend	trans	-159.4	173.1	-177.9	0	0	0	0	0	110.8	Y850 G852 Q879	Y850-G854 PolarHBondContact OH-O 2.9Å; G852-G854 PolarHBondContact O-N 3.01Å; G854-Q879 PolarHBondContact O-NE2 3.06Å; G854-Q879 VanDerWaalsContact O-NE2 3.15Å
855	P	93.7	Very high	91.8	Very high	81 Å²	81	55.6 Å²	55.6	53%	0.526	30%	0.295	S	S	.	.			trans	-64.3	154.2	-179.6	28.8	-35.3	0	0	0	111.7	L809 V810 Q879	L809-P855 HydrophobicContact CD1-CB 3.93Å; L809-P855 HydrophobicContact CG-CB 4.43Å; V810-P855 WeakPolarHBondContact O-CA 3.49Å; P855-Q879 PolarHBondContact O-NE2 3.17Å
856	C	94.9	Very high	91.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	161.4	175.1	67.2	0	0	0	0	111.2	L809 V810 Y850 Y877 Q879	L809-C856 WeakPolarHBondContact CA-O 3.31Å; V810-C856 PolarHBondContact N-O 2.98Å; V810-C856 PolarHBondContact O-N 3Å; Y850-C856 HydrophobicContact CE2-CB 4.44Å; Y850-C856 WeakPolarHBondContact CE2-SG 3.38Å; C856-Y877 HydrophobicContact CB-CD2 4.13Å; C856-Q879 HydrophobicContact CB-CG 3.6Å
857	Y	96.6	Very high	90.5	Very high	121 Å²	121	54.1 Å²	54.1	48%	0.475	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	133.4	171.7	-68.7	-86.5	0	0	0	109.4	A808 L809 E859 Y877 R878	A808-Y857 WeakPolarHBondContact O-CA 3.4Å; L809-Y857 HydrophobicContact CB-CD1 4.39Å; L809-Y857 HydrophobicContact CB-CE1 4.11Å; L809-Y857 HydrophobicContact CD1-CD1 4.16Å; L809-Y857 HydrophobicContact CD1-CD2 4.3Å; L809-Y857 HydrophobicContact CD1-CE1 3.74Å; L809-Y857 HydrophobicContact CD1-CE2 3.89Å; L809-Y857 HydrophobicContact CD1-CG 4.44Å; Y857-E859 PolarHBondContact O-N 3.08Å; Y857-Y877 CarbonylContact O-C 3.46Å; Y857-Y877 WeakPolarHBondContact O-CA 3.22Å; Y857-Y877 WeakPolarHBondContact O-CB 3.49Å; Y857-R878 PolarHBondContact N-O 3.47Å; Y857-R878 PolarHBondContact O-N 2.95Å
858	V	96.3	Very high	89.5	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	124.6	167.8	178.4	0	0	0	0	108.1	V804 G807 A808 V810 L816 V861 V875	V804-V858 HydrophobicContact CB-CG2 4.45Å; V804-V858 HydrophobicContact CG1-CG1 4.05Å; V804-V858 HydrophobicContact CG1-CG2 3.9Å; V804-V858 HydrophobicContact CG2-CG2 3.7Å; G807-V858 VanDerWaalsContact CA-O 3.29Å; G807-V858 WeakPolarHBondContact CA-O 3.4Å; G807-V858 PolarHBondContact N-O 3.03Å; A808-V858 PolarHBondContact O-N 2.97Å; V810-V858 HydrophobicContact CG2-CG2 3.66Å; L816-V858 HydrophobicContact CD2-CG2 4.47Å; V858-V861 HydrophobicContact CG1-CG2 3.91Å; V858-V875 HydrophobicContact CG1-CG1 3.89Å; V858-V875 HydrophobicContact CG2-CG1 4.23Å
859	E	94.1	Very high	88.4	Confident	61 Å²	61	61.5 Å²	61.5	29%	0.285	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-44.9	-179.9	-168.1	-179.7	150	0	0	111.1	H761 Y857 L876 R878	H761-E859 IonicContact CD2-OE2 2.69Å; H761-E859 PolarHBondContact CD2-OE2 3.29Å; H761-E859 VanDerWaalsContact CD2-OE2 3.27Å; H761-E859 IonicContact NE2-OE2 3.33Å; H761-E859 PolarHBondContact NE2-OE2 3.49Å; Y857-E859 PolarHBondContact O-N 3.08Å; E859-L876 PolarHBondContact N-O 3.36Å; E859-R878 WeakPolarHBondContact OE2-CD 3.2Å; E859-R878 IonicContact OE2-NE 3.4Å
860	K	93.6	Very high	87.9	Confident	71 Å²	71	61.6 Å²	61.6	31%	0.309	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	142	-176.3	-56.4	-172.4	-178.1	-166.6	0	111.4	Q691 L876	Q691-K860 WeakPolarHBondContact O-CE 3.13Å; Q691-K860 PolarHBondContact O-NZ 3.09Å; K860-L876 HydrophobicContact CB-CB 4.18Å; K860-L876 HydrophobicContact CD-CD2 4.46Å; K860-L876 HydrophobicContact CG-CD2 4.46Å; K860-L876 PolarHBondContact N-O 2.96Å; K860-L876 PolarHBondContact O-N 3.17Å
861	V	94.8	Very high	87.8	Confident	46 Å²	46	67.5 Å²	67.5	28%	0.279	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	120.8	167.7	178.6	0	0	0	0	106.8	I803 V804 V858 I863 V873 K874 V875	I803-V861 HydrophobicContact CG2-CG1 3.57Å; V804-V861 HydrophobicContact CG1-CG2 4.13Å; V804-V861 WeakPolarHBondContact O-CG2 3.36Å; V858-V861 HydrophobicContact CG1-CG2 3.91Å; V861-I863 HydrophobicContact CG1-CG1 4.43Å; V861-V873 HydrophobicContact CG1-CG1 4.25Å; V861-K874 WeakPolarHBondContact CA-O 3.26Å; V861-V875 HydrophobicContact CG2-CG2 4.48Å
862	L	94	Very high	87.9	Confident	45 Å²	45	59.3 Å²	59.3	24%	0.236	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	123.4	176.6	176.9	79	0	0	0	108.3	L107 T864 V873 K874	L107-L862 HydrophobicContact CB-CD2 3.89Å; L107-L862 HydrophobicContact CD2-CD2 4.09Å; L107-L862 HydrophobicContact CG-CD2 4.38Å; L862-T864 HydrophobicContact CD2-CG2 4.43Å; L862-V873 CarbonylContact O-C 3.27Å; L862-V873 WeakPolarHBondContact O-CA 3.41Å; L862-K874 HydrophobicContact CB-CB 4.29Å; L862-K874 HydrophobicContact CD2-CD 4.26Å; L862-K874 PolarHBondContact N-O 3.14Å; L862-K874 PolarHBondContact O-N 2.94Å
863	I	93.9	Very high	88.4	Confident	95 Å²	95	58.8 Å²	58.8	49%	0.487	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	125.5	171.3	-55.7	172.8	0	0	0	106.7	I803 V861	I803-I863 HydrophobicContact CD1-CD1 3.74Å; I803-I863 HydrophobicContact CD1-CG1 4.29Å; V861-I863 HydrophobicContact CG1-CG1 4.43Å
864	T	91.2	Very high	89	Confident	25 Å²	25	56.1 Å²	56.1	15%	0.153	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	172.7	-178.8	-164.4	0	0	0	0	111.5	R108 L862 Y871 L872	R108-T864 WeakPolarHBondContact CG-OG1 3.22Å; L862-T864 HydrophobicContact CD2-CG2 4.43Å; T864-Y871 CarbonylContact O-C 3.59Å; T864-Y871 WeakPolarHBondContact O-CA 3.47Å; T864-L872 HydrophobicContact CG2-CB 3.93Å; T864-L872 HydrophobicContact CG2-CD2 4.11Å; T864-L872 HydrophobicContact CG2-CG 4.3Å; T864-L872 PolarHBondContact N-O 2.89Å; T864-L872 PolarHBondContact O-N 2.93Å
865	S	86.9	Confident	89.3	Confident	46 Å²	46	55.1 Å²	55.1	32%	0.322	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	138.1	174.7	58.2	0	0	0	0	110.6	R108 H870	R108-S865 PolarHBondContact NE-O 3.44Å; R108-S865 PolarHBondContact NH2-O 2.59Å; R108-S865 VanDerWaalsContact NH2-O 3.09Å; S865-H870 WeakPolarHBondContact CA-O 3.29Å
866	N	78.8	Confident	89.4	Confident	36 Å²	36	51.7 Å²	51.7	19%	0.193	26%	0.256	C	S	.	.			trans	-84.1	176.4	171.4	-68.7	20.9	0	0	0	110.1	R108 D868 E869 H870 L872	R108-N866 PolarHBondContact O-OD1 2.95Å; N866-D868 PolarHBondContact O-N 3.27Å; N866-E869 PolarHBondContact O-N 3.26Å; N866-E869 VanDerWaalsContact O-N 3.09Å; N866-H870 PolarHBondContact N-O 2.8Å; N866-H870 VanDerWaalsContact N-O 3.1Å; N866-L872 WeakPolarHBondContact OD1-CD2 3.49Å
867	V	74.6	Confident	89.4	Confident	95 Å²	95	53 Å²	53	58%	0.576	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-33.7	177.1	-174.2	0	0	0	0	112.1	M110 E869	M110-V867 HydrophobicContact CE-CG2 3.38Å; M110-V867 HydrophobicContact CG-CG2 4.14Å; M110-V867 HydrophobicContact SD-CG2 4.06Å; V867-E869 PolarHBondContact O-N 3.41Å; V867-E869 VanDerWaalsContact O-N 3.12Å
868	D	72.3	Confident	89.3	Confident	115 Å²	115	51 Å²	51	62%	0.615	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	16.1	179.2	-52.1	-43.6	0	0	0	113.5	N866 H870	N866-D868 PolarHBondContact O-N 3.27Å; D868-H870 PolarHBondContact O-N 2.99Å; D868-H870 PolarHBondContact O-ND1 2.9Å
869	E	72	Confident	89.3	Confident	126 Å²	126	51.7 Å²	51.7	59%	0.589	26%	0.256	S	S	*	.			trans	52.5	21.7	-173	-59.6	-173.2	179.8	0	0	114.6	R770 N866 V867	R770-E869 IonicContact NH1-OE2 2.7Å; R770-E869 PolarHBondContact NH1-OE2 3.24Å; N866-E869 PolarHBondContact O-N 3.26Å; N866-E869 VanDerWaalsContact O-N 3.09Å; V867-E869 PolarHBondContact O-N 3.41Å; V867-E869 VanDerWaalsContact O-N 3.12Å
870	H	82	Confident	89.3	Confident	48 Å²	48	52 Å²	52	22%	0.222	26%	0.262	C	S	.	.			trans	-79	126.6	172.9	-65.7	-17.1	0	0	0	109.6	S865 N866 D868 L872	S865-H870 WeakPolarHBondContact CA-O 3.29Å; N866-H870 PolarHBondContact N-O 2.8Å; N866-H870 VanDerWaalsContact N-O 3.1Å; D868-H870 PolarHBondContact O-N 2.99Å; D868-H870 PolarHBondContact O-ND1 2.9Å; H870-L872 PolarHBondContact O-N 3.43Å
871	Y	90.4	Very high	89.4	Confident	127 Å²	127	49.2 Å²	49.2	50%	0.498	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	130.3	171.7	-70.1	-68.4	0	0	0	109.8	L768 T864	L768-Y871 PolarHBondContact N-O 3.01Å; T864-Y871 CarbonylContact O-C 3.59Å; T864-Y871 WeakPolarHBondContact O-CA 3.47Å
872	L	92	Very high	89.4	Confident	6 Å²	6	50.2 Å²	50.2	3%	0.031	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	118.2	178.9	179.3	65.2	0	0	0	108.8	D109 K765 A767 T864 N866 H870 K874	D109-L872 HydrophobicContact CB-CD2 3.99Å; K765-L872 HydrophobicContact CB-CD1 4.33Å; A767-L872 HydrophobicContact CB-CD1 4.28Å; T864-L872 HydrophobicContact CG2-CB 3.93Å; T864-L872 HydrophobicContact CG2-CD2 4.11Å; T864-L872 HydrophobicContact CG2-CG 4.3Å; T864-L872 PolarHBondContact N-O 2.89Å; T864-L872 PolarHBondContact O-N 2.93Å; N866-L872 WeakPolarHBondContact OD1-CD2 3.49Å; H870-L872 PolarHBondContact O-N 3.43Å; L872-K874 HydrophobicContact CD2-CG 4.38Å; L872-K874 HydrophobicContact CG-CG 4.23Å
873	V	94	Very high	89.5	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	118.1	173.2	-175.2	0	0	0	0	108.3	K765 C766 I803 V817 V861 L862 V875	K765-V873 CarbonylContact C-O 3.58Å; K765-V873 WeakPolarHBondContact CA-O 3.33Å; C766-V873 HydrophobicContact CB-CB 4.35Å; C766-V873 PolarHBondContact N-O 2.7Å; C766-V873 PolarHBondContact O-N 3.21Å; I803-V873 HydrophobicContact CD1-CG1 4.31Å; I803-V873 HydrophobicContact CD1-CG2 4.18Å; I803-V873 HydrophobicContact CG2-CG1 4.05Å; V817-V873 HydrophobicContact CG2-CG1 4Å; V861-V873 HydrophobicContact CG1-CG1 4.25Å; L862-V873 CarbonylContact O-C 3.27Å; L862-V873 WeakPolarHBondContact O-CA 3.41Å; V873-V875 HydrophobicContact CG1-CG2 4.25Å
874	K	94.6	Very high	89.5	Confident	11 Å²	11	47 Å²	47	5%	0.048	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	121.7	171.8	-64.7	-174.8	178.5	177.3	0	109.5	R106 L107 D109 V694 A764 K765 V861 L862 L872	R106-K874 PolarHBondContact O-NZ 3.3Å; L107-K874 VanDerWaalsContact O-CE 3.24Å; L107-K874 WeakPolarHBondContact O-CE 3.22Å; L107-K874 PolarHBondContact O-NZ 2.89Å; D109-K874 VanDerWaalsContact OD1-CE 3.29Å; D109-K874 WeakPolarHBondContact OD1-CE 3.46Å; D109-K874 IonicContact OD1-NZ 3.09Å; D109-K874 PolarHBondContact OD1-NZ 3.3Å; V694-K874 HydrophobicContact CG1-CB 4.21Å; V694-K874 HydrophobicContact CG1-CD 4.09Å; A764-K874 WeakPolarHBondContact O-CA 3.15Å; K765-K874 HydrophobicContact CB-CG 4.39Å; V861-K874 WeakPolarHBondContact CA-O 3.26Å; L862-K874 HydrophobicContact CB-CB 4.29Å; L862-K874 HydrophobicContact CD2-CD 4.26Å; L862-K874 PolarHBondContact N-O 3.14Å; L862-K874 PolarHBondContact O-N 2.94Å; L872-K874 HydrophobicContact CD2-CG 4.38Å; L872-K874 HydrophobicContact CG-CG 4.23Å
875	V	95.2	Very high	89.7	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	116.3	175.9	-178.1	0	0	0	0	108.2	S763 A764 V804 L816 V817 V858 V861 V873	S763-V875 CarbonylContact C-O 3.57Å; S763-V875 VanDerWaalsContact CA-O 3.28Å; S763-V875 WeakPolarHBondContact CA-O 3.35Å; A764-V875 PolarHBondContact N-O 2.91Å; A764-V875 PolarHBondContact O-N 3.3Å; V804-V875 HydrophobicContact CG1-CG1 3.64Å; V804-V875 HydrophobicContact CG1-CG2 4.07Å; L816-V875 HydrophobicContact CD2-CG1 4.43Å; V817-V875 HydrophobicContact CG2-CG2 4.23Å; V858-V875 HydrophobicContact CG1-CG1 3.89Å; V858-V875 HydrophobicContact CG2-CG1 4.23Å; V861-V875 HydrophobicContact CG2-CG2 4.48Å; V873-V875 HydrophobicContact CG1-CG2 4.25Å
876	L	95.9	Very high	90.1	Very high	8 Å²	8	49.3 Å²	49.3	4%	0.042	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	121.9	172.7	-173.8	71.8	0	0	0	108.8	V694 H761 E859 K860	V694-L876 HydrophobicContact CG1-CD1 4.45Å; H761-L876 HydrophobicContact CB-CD1 4.1Å; E859-L876 PolarHBondContact N-O 3.36Å; K860-L876 HydrophobicContact CB-CB 4.18Å; K860-L876 HydrophobicContact CD-CD2 4.46Å; K860-L876 HydrophobicContact CG-CD2 4.46Å; K860-L876 PolarHBondContact N-O 2.96Å; K860-L876 PolarHBondContact O-N 3.17Å
877	Y	94.6	Very high	90.9	Very high	29 Å²	29	47.7 Å²	47.7	11%	0.114	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	147	175.3	54.2	-90.2	0	0	0	110.9	H761 R762 A764 Y850 C856 Y857	H761-Y877 WeakPolarHBondContact CA-O 3.26Å; R762-Y877 HydrophobicContact CB-CD2 4.11Å; R762-Y877 HydrophobicContact CB-CE1 4.3Å; R762-Y877 HydrophobicContact CB-CE2 3.4Å; R762-Y877 VanDerWaalsContact CB-CZ 3.49Å; R762-Y877 WeakPolarHBondContact CB-OH 3.48Å; R762-Y877 HydrophobicContact CG-CE2 4.29Å; R762-Y877 PolarHBondContact N-O 2.93Å; R762-Y877 WeakPolarHBondContact O-CD1 3.41Å; R762-Y877 WeakPolarHBondContact O-CE1 3.24Å; R762-Y877 PolarHBondContact O-N 2.79Å; A764-Y877 HydrophobicContact CB-CE1 3.99Å; Y850-Y877 HydrophobicContact CD2-CD2 4.47Å; Y850-Y877 HydrophobicContact CD2-CE2 4.18Å; Y850-Y877 AromaticContact CE2-CD2 3.86Å; Y850-Y877 HydrophobicContact CE2-CD2 3.86Å; Y850-Y877 AromaticContact CE2-CE2 3.55Å; Y850-Y877 HydrophobicContact CE2-CE2 3.55Å; C856-Y877 HydrophobicContact CB-CD2 4.13Å; Y857-Y877 CarbonylContact O-C 3.46Å; Y857-Y877 WeakPolarHBondContact O-CA 3.22Å; Y857-Y877 WeakPolarHBondContact O-CB 3.49Å
878	R	95.1	Very high	91.9	Very high	79 Å²	79	46.2 Å²	46.2	30%	0.298	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	138.7	-172.1	-176.1	178.9	63.9	99.1	1	110.7	V760 H761 Y857 E859 T880	V760-R878 WeakPolarHBondContact O-CA 3.29Å; H761-R878 WeakPolarHBondContact NE2-CD 3.39Å; Y857-R878 PolarHBondContact N-O 3.47Å; Y857-R878 PolarHBondContact O-N 2.95Å; E859-R878 WeakPolarHBondContact OE2-CD 3.2Å; E859-R878 IonicContact OE2-NE 3.4Å; R878-T880 PolarHBondContact NH1-OG1 2.88Å
879	Q	94.8	Very high	93.1	Very high	14 Å²	14	40.8 Å²	40.8	7%	0.065	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	129.2	167.2	-68.2	-178.6	-24.7	0	0	109.1	T759 V760 Y850 G854 P855 C856 R881	T759-Q879 CarbonylContact C-O 3.34Å; T759-Q879 WeakPolarHBondContact CA-O 3.5Å; V760-Q879 PolarHBondContact N-O 2.89Å; V760-Q879 PolarHBondContact O-N 3.14Å; Y850-Q879 PolarHBondContact OH-NE2 2.97Å; G854-Q879 PolarHBondContact O-NE2 3.06Å; G854-Q879 VanDerWaalsContact O-NE2 3.15Å; P855-Q879 PolarHBondContact O-NE2 3.17Å; C856-Q879 HydrophobicContact CB-CG 3.6Å; Q879-R881 HydrophobicContact CB-CG 4.5Å
880	T	94.9	Very high	94.2	Very high	69 Å²	69	34.8 Å²	34.8	42%	0.423	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	123.9	169.6	-52.4	0	0	0	0	107.9	R757 C758 T759 R878	R757-T880 HydrophobicContact CG-CG2 3.93Å; C758-T880 CarbonylContact O-C 3.51Å; C758-T880 WeakPolarHBondContact O-CA 3.36Å; T759-T880 HydrophobicContact CG2-CG2 4.49Å; R878-T880 PolarHBondContact NH1-OG1 2.88Å
881	R	94.7	Very high	94.7	Very high	11 Å²	11	32.5 Å²	32.5	4%	0.042	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	126.2	-176.1	-60.5	-176.1	-177.8	178.5	-0.6	110.2	C758 V760 Q879 D1010	C758-R881 PolarHBondContact N-O 3.04Å; C758-R881 PolarHBondContact O-N 3.14Å; V760-R881 HydrophobicContact CG2-CG 4.39Å; Q879-R881 HydrophobicContact CB-CG 4.5Å; R881-D1010 IonicContact CZ-OD1 3.22Å; R881-D1010 IonicContact CZ-OD2 2.8Å; R881-D1010 IonicContact NH1-OD1 2.8Å; R881-D1010 PolarHBondContact NH1-OD1 3.14Å; R881-D1010 IonicContact NH1-OD2 3.55Å; R881-D1010 PolarHBondContact NH1-OD2 3.1Å; R881-D1010 IonicContact NH2-OD1 3.93Å; R881-D1010 PolarHBondContact NH2-OD1 3.02Å; R881-D1010 IonicContact NH2-OD2 3.47Å
882	V	95	Very high	95	Very high	68 Å²	68	26.6 Å²	26.6	41%	0.412	14%	0.137	S	C	.	.			trans	-81.1	141.2	168.5	-175.9	0	0	0	0	107.5	L751 E884	L751-V882 HydrophobicContact CB-CG1 4.47Å; V882-E884 PolarHBondContact O-N 3.26Å
883	P	96.1	Very high	95.2	Very high	4 Å²	4	26.3 Å²	26.3	3%	0.026	14%	0.136	C	C	.	.			trans	-53.8	132.8	171.2	-24	33.4	0	0	0	112	L751 F755 G756 F889	L751-P883 HydrophobicContact CD2-CB 3.76Å; L751-P883 HydrophobicContact CD2-CG 3.69Å; F755-P883 WeakPolarHBondContact O-CG 3.41Å; G756-P883 WeakPolarHBondContact O-CG 3.43Å; P883-F889 HydrophobicContact CB-CE2 4.3Å; P883-F889 HydrophobicContact CB-CZ 3.91Å; P883-F889 HydrophobicContact CG-CZ 4.08Å
884	E	94.7	Very high	95.1	Very high	68 Å²	68	26.3 Å²	26.3	32%	0.318	14%	0.136	S	C	.	.			trans	-124.1	172.2	179.7	64.7	-176.5	-178.6	0	0	111.3	V882 G886 D887 M1009	V882-E884 PolarHBondContact O-N 3.26Å; E884-G886 PolarHBondContact O-N 3.37Å; E884-D887 WeakPolarHBondContact O-CB 3.29Å; E884-D887 PolarHBondContact O-N 3.1Å; E884-D887 VanDerWaalsContact O-N 3.15Å; E884-M1009 PolarHBondContact OE1-N 3Å
885	L	96.2	Very high	94.9	Very high	97 Å²	97	26.1 Å²	26.1	51%	0.508	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	133.7	174.6	-63.3	176.6	0	0	0	110.3	I902 V1008	L885-I902 HydrophobicContact CD2-CD1 4.16Å; L885-I902 HydrophobicContact CD2-CG1 3.96Å; L885-I902 HydrophobicContact CG-CD1 4.39Å; L885-V1008 WeakPolarHBondContact O-CG2 3.41Å
886	G	94.7	Very high	94.8	Very high	23 Å²	23	31.5 Å²	31.5	24%	0.237	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	-6.9	-178.3	0	0	0	0	0	115.9	E884 C899 V1008	E884-G886 PolarHBondContact O-N 3.37Å; G886-C899 PolarHBondContact N-O 2.97Å; G886-V1008 VanDerWaalsContact O-CG2 3.24Å; G886-V1008 WeakPolarHBondContact O-CG2 3.46Å
887	D	95.9	Very high	94.6	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.011	16%	0.159	C	C	.	.			trans	-63.8	146.6	171	-91.1	-0.6	0	0	0	110.9	E884 F889 V898 C899 K1003 M1007 V1008	E884-D887 WeakPolarHBondContact O-CB 3.29Å; E884-D887 PolarHBondContact O-N 3.1Å; E884-D887 VanDerWaalsContact O-N 3.15Å; D887-F889 HydrophobicContact CB-CE2 4.22Å; D887-V898 WeakPolarHBondContact O-CA 3.38Å; D887-C899 PolarHBondContact O-N 3.46Å; D887-K1003 VanDerWaalsContact OD2-CE 3.24Å; D887-K1003 WeakPolarHBondContact OD2-CE 3.33Å; D887-K1003 IonicContact OD2-NZ 3.66Å; D887-K1003 PolarHBondContact OD2-NZ 3.2Å; D887-M1007 VanDerWaalsContact OD1-CA 3.24Å; D887-M1007 WeakPolarHBondContact OD1-CA 3.39Å; D887-M1007 VanDerWaalsContact OD1-CB 3.28Å; D887-M1007 WeakPolarHBondContact OD1-CB 3.34Å; D887-M1007 WeakPolarHBondContact OD1-CG 3.21Å; D887-V1008 PolarHBondContact OD1-N 2.82Å
888	K	95.8	Very high	94.7	Very high	63 Å²	63	32.8 Å²	32.8	27%	0.274	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	130.2	-175.6	-63	-167.3	-179.2	-163.4	0	112.5	V898 L1004 H1006	K888-V898 HydrophobicContact CG-CG2 4.25Å; K888-L1004 HydrophobicContact CB-CB 4.13Å; K888-L1004 HydrophobicContact CB-CD1 4.2Å; K888-L1004 PolarHBondContact O-N 2.76Å; K888-H1006 HydrophobicContact CD-CB 4.13Å
889	F	95.7	Very high	94.8	Very high	1 Å²	1	29.2 Å²	29.2	0%	0.004	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	154.1	171.9	-69.5	-96.8	0	0	0	109.9	I744 L746 F755 P883 D887 K896 G897 Y1001 Q1002 K1003	I744-F889 HydrophobicContact CD1-CB 3.69Å; I744-F889 HydrophobicContact CD1-CD2 3.76Å; I744-F889 HydrophobicContact CD1-CG 3.9Å; L746-F889 HydrophobicContact CD1-CE2 3.81Å; L746-F889 HydrophobicContact CD1-CZ 4.1Å; F755-F889 HydrophobicContact CE1-CE1 4.24Å; P883-F889 HydrophobicContact CB-CE2 4.3Å; P883-F889 HydrophobicContact CB-CZ 3.91Å; P883-F889 HydrophobicContact CG-CZ 4.08Å; D887-F889 HydrophobicContact CB-CE2 4.22Å; F889-K896 CarbonylContact O-C 3.49Å; F889-K896 WeakPolarHBondContact O-CA 3.24Å; F889-G897 PolarHBondContact N-O 3.41Å; F889-G897 PolarHBondContact O-N 3.22Å; F889-G897 VanDerWaalsContact O-O 3.12Å; F889-Y1001 HydrophobicContact CB-CD1 4.19Å; F889-Q1002 CarbonylContact C-O 3.38Å; F889-Q1002 WeakPolarHBondContact CA-O 3.23Å; F889-K1003 HydrophobicContact CD1-CB 4.24Å; F889-K1003 HydrophobicContact CD1-CG 4.45Å; F889-K1003 HydrophobicContact CE1-CB 4.03Å; F889-K1003 HydrophobicContact CE1-CD 4.33Å; F889-K1003 HydrophobicContact CE1-CG 4.06Å; F889-K1003 HydrophobicContact CZ-CD 4.26Å; F889-K1003 HydrophobicContact CZ-CG 4.26Å
890	S	95.2	Very high	94.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	139.9	173.5	-170.3	0	0	0	0	109.8	M678 Q895 Y1001 Q1002	M678-S890 PolarHBondContact SD-OG 2.8Å; M678-S890 VanDerWaalsContact SD-OG 3.32Å; S890-Q895 WeakPolarHBondContact CA-O 3.47Å; S890-Y1001 WeakPolarHBondContact O-CD1 3.43Å; S890-Q1002 PolarHBondContact N-O 3.17Å; S890-Q1002 PolarHBondContact O-N 2.92Å
891	S	94	Very high	94.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.16	C	C	.	.			trans	-74	178.7	157.7	64.5	0	0	0	0	110.4	Q675 H893 Q895	Q675-S891 PolarHBondContact OE1-O 3.39Å; S891-H893 PolarHBondContact O-N 3.34Å; S891-H893 PolarHBondContact OG-N 2.87Å; S891-Q895 PolarHBondContact N-O 3.33Å; S891-Q895 VanDerWaalsContact N-O 3.07Å; S891-Q895 WeakPolarHBondContact OG-CB 3.49Å; S891-Q895 PolarHBondContact OG-O 3.22Å
892	R	95.4	Very high	95	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.015	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	13.4	171.8	-74	168.7	63.7	-158.2	11.6	114.7	L660 Q675 V709 E937 Y1000	L660-R892 PolarHBondContact O-NE 3.06Å; L660-R892 PolarHBondContact O-NH2 2.86Å; Q675-R892 VanDerWaalsContact CD-C 3.42Å; Q675-R892 VanDerWaalsContact CD-CA 3.48Å; Q675-R892 VanDerWaalsContact CG-O 3.28Å; Q675-R892 WeakPolarHBondContact CG-O 3.37Å; Q675-R892 VanDerWaalsContact OE1-C 3.23Å; V709-R892 PolarHBondContact O-NH1 3.45Å; V709-R892 PolarHBondContact O-NH2 2.86Å; R892-E937 IonicContact CZ-OE1 3.29Å; R892-E937 IonicContact NH1-OE1 2.91Å; R892-E937 PolarHBondContact NH1-OE1 3.34Å; R892-Y1000 VanDerWaalsContact CD-CD1 3.45Å; R892-Y1000 HydrophobicContact CG-CD1 3.99Å
893	H	96.4	Very high	95.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.9	25.3	-173.4	-66.7	-89.5	0	0	0	113.4	P662 N667 S891 Q895 T931 G933 K934 E937	P662-H893 WeakPolarHBondContact CG-NE2 3.43Å; P662-H893 PolarHBondContact O-CE1 2.9Å; N667-H893 PolarHBondContact ND2-ND1 3.16Å; N667-H893 PolarHBondContact OD1-ND1 3.41Å; S891-H893 PolarHBondContact O-N 3.34Å; S891-H893 PolarHBondContact OG-N 2.87Å; H893-Q895 PolarHBondContact O-N 3.3Å; H893-T931 HydrophobicContact CB-CG2 4.35Å; H893-G933 PolarHBondContact CE1-O 3.09Å; H893-K934 HydrophobicContact CB-CB 4.2Å; H893-K934 PolarHBondContact CE1-N 3.12Å; H893-K934 WeakPolarHBondContact NE2-CA 3.35Å; H893-K934 PolarHBondContact NE2-N 3.25Å; H893-E937 IonicContact CD2-OE2 2.73Å; H893-E937 PolarHBondContact CD2-OE2 2.92Å; H893-E937 IonicContact NE2-OE2 3.79Å; H893-E937 PolarHBondContact NE2-OE2 3.06Å
894	G	92.1	Very high	95.2	Very high	2 Å²	2	29.3 Å²	29.3	2%	0.021	16%	0.162	C	C	.	.	S	Bend	trans	67.5	21.4	178.8	0	0	0	0	0	113.7
895	Q	91.4	Very high	95.3	Very high	7 Å²	7	28.9 Å²	28.9	3%	0.033	16%	0.16	C	C	.	.			trans	-101.4	98.9	170	-56.8	-177.5	-10.3	0	0	108.9	S890 S891 H893 M921 T931	S890-Q895 WeakPolarHBondContact CA-O 3.47Å; S891-Q895 PolarHBondContact N-O 3.33Å; S891-Q895 VanDerWaalsContact N-O 3.07Å; S891-Q895 WeakPolarHBondContact OG-CB 3.49Å; S891-Q895 PolarHBondContact OG-O 3.22Å; H893-Q895 PolarHBondContact O-N 3.3Å; Q895-M921 PolarHBondContact OE1-SD 3.01Å; Q895-T931 HydrophobicContact CG-CG2 4.33Å; Q895-T931 PolarHBondContact NE2-OG1 2.79Å
896	K	92.6	Very high	95.2	Very high	113 Å²	113	30.8 Å²	30.8	49%	0.491	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	139.9	167.3	62	-177.7	178.8	-163.2	0	108.9	M678 D742 F889	M678-K896 HydrophobicContact CE-CB 3.71Å; M678-K896 HydrophobicContact CE-CD 3.74Å; M678-K896 HydrophobicContact CE-CG 3.82Å; M678-K896 HydrophobicContact SD-CB 4.04Å; D742-K896 WeakPolarHBondContact CB-O 3.37Å; F889-K896 CarbonylContact O-C 3.49Å; F889-K896 WeakPolarHBondContact O-CA 3.24Å
897	G	92.4	Very high	95.3	Very high	5 Å²	5	32.7 Å²	32.7	5%	0.052	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	151.2	172.4	0	0	0	0	0	111	D742 F889	D742-G897 WeakPolarHBondContact O-CA 3.45Å; F889-G897 PolarHBondContact N-O 3.41Å; F889-G897 PolarHBondContact O-N 3.22Å; F889-G897 VanDerWaalsContact O-O 3.12Å
898	V	95.9	Very high	95.3	Very high	59 Å²	59	32.7 Å²	32.7	36%	0.358	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	140.4	176.4	177.4	0	0	0	0	108.1	A743 I744 D887 K888 G900	A743-V898 CarbonylContact C-O 3.57Å; A743-V898 WeakPolarHBondContact CA-O 3.43Å; I744-V898 WeakPolarHBondContact CG1-O 3.48Å; I744-V898 PolarHBondContact N-O 3.12Å; D887-V898 WeakPolarHBondContact O-CA 3.38Å; K888-V898 HydrophobicContact CG-CG2 4.25Å; V898-G900 PolarHBondContact O-N 2.78Å
899	C	96.4	Very high	95.4	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.02	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	106.4	173	-175.1	0	0	0	0	110.4	L746 G886 D887	L746-C899 HydrophobicContact CD1-CB 4.1Å; L746-C899 VanDerWaalsContact CD1-SG 3.57Å; G886-C899 PolarHBondContact N-O 2.97Å; D887-C899 PolarHBondContact O-N 3.46Å
900	G	95.7	Very high	95.4	Very high	28 Å²	28	33.5 Å²	33.5	29%	0.289	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-41.6	-178.2	0	0	0	0	0	112.9	I744 V898	I744-G900 PolarHBondContact O-N 2.9Å; V898-G900 PolarHBondContact O-N 2.78Å
901	L	96.7	Very high	95.3	Very high	47 Å²	47	33.7 Å²	33.7	25%	0.246	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	146.6	177.8	-172.7	66	0	0	0	110.8	Y738 I745 L746 V903	Y738-L901 HydrophobicContact CD2-CD2 3.8Å; Y738-L901 HydrophobicContact CE2-CD2 4.36Å; Y738-L901 HydrophobicContact CG-CB 4.08Å; Y738-L901 HydrophobicContact CG-CD2 4.1Å; I745-L901 WeakPolarHBondContact CA-O 3.41Å; I745-L901 HydrophobicContact CG1-CB 4.3Å; I745-L901 HydrophobicContact CG2-CB 4.38Å; L746-L901 PolarHBondContact N-O 2.98Å; L901-V903 HydrophobicContact CB-CG2 4.48Å; L901-V903 HydrophobicContact CD2-CG2 3.5Å; L901-V903 VanDerWaalsContact CD2-CG2 3.5Å; L901-V903 HydrophobicContact CG-CG2 3.71Å
902	I	97.5	Very high	95.2	Very high	48 Å²	48	38.6 Å²	38.6	25%	0.246	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	119.1	170.5	-63.8	168.7	0	0	0	107	L746 R748 L751 L885	L746-I902 HydrophobicContact CB-CG1 4.48Å; L746-I902 WeakPolarHBondContact O-CA 3.39Å; R748-I902 HydrophobicContact CB-CG2 3.71Å; R748-I902 HydrophobicContact CG-CG2 4.1Å; L751-I902 HydrophobicContact CD1-CD1 3.75Å; L751-I902 HydrophobicContact CD1-CG1 3.95Å; L751-I902 HydrophobicContact CD1-CG2 3.83Å; L885-I902 HydrophobicContact CD2-CD1 4.16Å; L885-I902 HydrophobicContact CD2-CG1 3.96Å; L885-I902 HydrophobicContact CG-CD1 4.39Å
903	V	97	Very high	95	Very high	8 Å²	8	45 Å²	45	5%	0.048	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	137.4	-171.1	-179.6	0	0	0	0	109.9	Y735 I745 L746 R748 L901 D907 L908	Y735-V903 HydrophobicContact CE1-CG1 4.33Å; Y735-V903 HydrophobicContact CE1-CG2 4.2Å; I745-V903 HydrophobicContact CG2-CB 4.27Å; I745-V903 HydrophobicContact CG2-CG2 3.49Å; I745-V903 VanDerWaalsContact CG2-CG2 3.49Å; L746-V903 PolarHBondContact O-N 2.93Å; R748-V903 WeakPolarHBondContact CB-O 3.39Å; R748-V903 PolarHBondContact N-O 2.94Å; L901-V903 HydrophobicContact CB-CG2 4.48Å; L901-V903 HydrophobicContact CD2-CG2 3.5Å; L901-V903 VanDerWaalsContact CD2-CG2 3.5Å; L901-V903 HydrophobicContact CG-CG2 3.71Å; V903-D907 HydrophobicContact CG1-CB 3.62Å; V903-L908 HydrophobicContact CB-CD2 4.16Å; V903-L908 HydrophobicContact CB-CG 4.44Å; V903-L908 HydrophobicContact CG1-CD2 4.06Å; V903-L908 HydrophobicContact CG1-CG 4.12Å
904	P	97.3	Very high	94.8	Very high	37 Å²	37	47.4 Å²	47.4	24%	0.24	28%	0.276	C	S	.	.			trans	-55.1	157	170.8	-22.7	33.8	0	0	0	112.7	E906 D907	P904-E906 VanDerWaalsContact C-N 3.31Å; P904-E906 HydrophobicContact CB-CG 4Å; P904-E906 WeakPolarHBondContact CB-OE1 3.45Å; P904-E906 WeakPolarHBondContact CB-OE2 3.28Å; P904-E906 PolarHBondContact O-N 3.15Å; P904-D907 PolarHBondContact O-N 3.37Å
905	Q	96.8	Very high	94.9	Very high	59 Å²	59	51.5 Å²	51.5	28%	0.276	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-33.2	-174.8	-175.8	171.4	8.7	0	0	112.1	A749 R753 D907 L908 S916	A749-Q905 HydrophobicContact CB-CB 3.71Å; A749-Q905 HydrophobicContact CB-CG 4.41Å; R753-Q905 VanDerWaalsContact NH1-OE1 3.11Å; Q905-D907 VanDerWaalsContact C-N 3.3Å; Q905-D907 PolarHBondContact O-N 3.43Å; Q905-L908 PolarHBondContact O-N 3.43Å; Q905-S916 PolarHBondContact NE2-OG 3.34Å
906	E	95.5	Very high	95.1	Very high	137 Å²	137	51.9 Å²	51.9	64%	0.64	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-30.8	-180	54.5	-91.1	-145.4	0	0	113.7	P904 G984	P904-E906 VanDerWaalsContact C-N 3.31Å; P904-E906 HydrophobicContact CB-CG 4Å; P904-E906 WeakPolarHBondContact CB-OE1 3.45Å; P904-E906 WeakPolarHBondContact CB-OE2 3.28Å; P904-E906 PolarHBondContact O-N 3.15Å; E906-G984 CarbonylContact O-C 3.57Å; E906-G984 WeakPolarHBondContact O-CA 3.45Å
907	D	95.9	Very high	95.3	Very high	63 Å²	63	46.6 Å²	46.6	34%	0.337	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-21.1	179.9	-64.6	-27.9	0	0	0	112.1	Y735 V903 P904 Q905 I985	Y735-D907 PolarHBondContact OH-O 3.47Å; V903-D907 HydrophobicContact CG1-CB 3.62Å; P904-D907 PolarHBondContact O-N 3.37Å; Q905-D907 VanDerWaalsContact C-N 3.3Å; Q905-D907 PolarHBondContact O-N 3.43Å; D907-I985 HydrophobicContact CB-CG1 4.39Å
908	L	96.4	Very high	95.5	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.016	28%	0.282	C	S	.	.	S	Bend	trans	-73	148.5	-176	-70.3	171.3	0	0	0	111.9	N747 V903 Q905 I920	N747-L908 HydrophobicContact CB-CD1 3.43Å; N747-L908 VanDerWaalsContact CB-CD1 3.43Å; N747-L908 WeakPolarHBondContact ND2-CD1 3.24Å; V903-L908 HydrophobicContact CB-CD2 4.16Å; V903-L908 HydrophobicContact CB-CG 4.44Å; V903-L908 HydrophobicContact CG1-CD2 4.06Å; V903-L908 HydrophobicContact CG1-CG 4.12Å; Q905-L908 PolarHBondContact O-N 3.43Å; L908-I920 HydrophobicContact CD2-CD1 3.64Å; L908-I920 HydrophobicContact CD2-CG1 4.43Å
909	P	97.1	Very high	95.5	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.013	27%	0.266	C	S	.	.			trans	-67	144.2	175.5	29.2	-34.6	0	0	0	111	M733 P917 I920 L981 T982 L990	M733-P909 HydrophobicContact SD-CB 4.49Å; M733-P909 HydrophobicContact SD-CG 3.73Å; P909-P917 HydrophobicContact CG-CG 4.38Å; P909-P917 WeakPolarHBondContact O-CD 3.16Å; P909-I920 HydrophobicContact CG-CD1 4.46Å; P909-L981 HydrophobicContact CB-CB 4.1Å; P909-L981 HydrophobicContact CB-CD1 4.15Å; P909-L981 HydrophobicContact CG-CD1 4.3Å; P909-T982 CarbonylContact C-O 3.57Å; P909-T982 WeakPolarHBondContact CA-O 3.37Å; P909-T982 WeakPolarHBondContact CB-O 3.24Å; P909-L990 HydrophobicContact CB-CD1 4.38Å
910	F	96.4	Very high	95.5	Very high	79 Å²	79	45 Å²	45	35%	0.346	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	150.1	-179.5	62.2	-84.8	0	0	0	111.4	M915 L981 T982	F910-M915 VanDerWaalsContact CA-O 3.3Å; F910-M915 WeakPolarHBondContact CA-O 3.41Å; F910-L981 CarbonylContact O-C 3.54Å; F910-L981 WeakPolarHBondContact O-CA 3.44Å; F910-T982 HydrophobicContact CE1-CG2 4Å; F910-T982 HydrophobicContact CE2-CG2 4.36Å; F910-T982 HydrophobicContact CZ-CG2 3.69Å; F910-T982 PolarHBondContact N-O 3.38Å; F910-T982 PolarHBondContact O-N 2.99Å
911	N	93.8	Very high	95.5	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	176.8	174.8	72.8	1.3	0	0	0	111.8	N913 G914 M915 E979 L981	N911-N913 PolarHBondContact O-N 2.92Å; N911-N913 WeakPolarHBondContact OD1-CA 3.32Å; N911-N913 WeakPolarHBondContact OD1-CB 3.44Å; N911-N913 PolarHBondContact OD1-N 3.36Å; N911-G914 PolarHBondContact O-N 2.8Å; N911-G914 PolarHBondContact OD1-N 3.04Å; N911-M915 PolarHBondContact N-O 3.29Å; N911-M915 VanDerWaalsContact N-O 3.1Å; N911-M915 WeakPolarHBondContact OD1-CB 3.46Å; N911-M915 PolarHBondContact OD1-N 3.11Å; N911-E979 WeakPolarHBondContact CB-OE2 3.38Å; N911-E979 PolarHBondContact ND2-OE2 3.32Å; N911-L981 HydrophobicContact CB-CD2 3.51Å
912	A	90.9	Very high	95.4	Very high	103 Å²	103	42.8 Å²	42.8	85%	0.851	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-22.6	178.4	0	0	0	0	0	114.1	G914	A912-G914 VanDerWaalsContact C-N 3.34Å
913	N	90.7	Very high	95.3	Very high	138 Å²	138	42.8 Å²	42.8	74%	0.738	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	0.7	177.1	-60.2	-13.6	0	0	0	112.9	N911 M915	N911-N913 PolarHBondContact O-N 2.92Å; N911-N913 WeakPolarHBondContact OD1-CA 3.32Å; N911-N913 WeakPolarHBondContact OD1-CB 3.44Å; N911-N913 PolarHBondContact OD1-N 3.36Å; N913-M915 HydrophobicContact CB-CG 4.5Å
914	G	92.3	Very high	95.2	Very high	50 Å²	50	49.2 Å²	49.2	52%	0.515	28%	0.278	S	S	.	.			trans	80.1	12	-177.4	0	0	0	0	0	114.8	N911 A912 S916	N911-G914 PolarHBondContact O-N 2.8Å; N911-G914 PolarHBondContact OD1-N 3.04Å; A912-G914 VanDerWaalsContact C-N 3.34Å; G914-S916 PolarHBondContact O-N 3.32Å
915	M	94.3	Very high	94.8	Very high	88 Å²	88	48 Å²	48	43%	0.433	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-77.2	119.5	176.7	-61.5	174.1	57.5	0	0	110.8	T729 F910 N911 N913 F996	T729-M915 HydrophobicContact CG2-CE 4.21Å; F910-M915 VanDerWaalsContact CA-O 3.3Å; F910-M915 WeakPolarHBondContact CA-O 3.41Å; N911-M915 PolarHBondContact N-O 3.29Å; N911-M915 VanDerWaalsContact N-O 3.1Å; N911-M915 WeakPolarHBondContact OD1-CB 3.46Å; N911-M915 PolarHBondContact OD1-N 3.11Å; N913-M915 HydrophobicContact CB-CG 4.5Å; M915-F996 HydrophobicContact CB-CE1 4.11Å; M915-F996 HydrophobicContact CB-CZ 4.08Å; M915-F996 HydrophobicContact CE-CE1 3.79Å; M915-F996 HydrophobicContact CE-CZ 4.33Å; M915-F996 HydrophobicContact SD-CE1 4.47Å
916	S	95.8	Very high	94.7	Very high	16 Å²	16	46.4 Å²	46.4	11%	0.112	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-95.8	146.8	168.6	58.6	0	0	0	0	110.9	Q905 G914	Q905-S916 PolarHBondContact NE2-OG 3.34Å; G914-S916 PolarHBondContact O-N 3.32Å
917	P	97.3	Very high	94.6	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.006	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-65.5	152	175.2	27.4	-33.2	0	0	0	112.3	T729 A731 N747 P909 I920 F996	T729-P917 WeakPolarHBondContact O-CA 3.37Å; A731-P917 HydrophobicContact CB-CB 3.84Å; A731-P917 HydrophobicContact CB-CG 4Å; N747-P917 WeakPolarHBondContact CB-O 3.39Å; N747-P917 PolarHBondContact ND2-O 3.17Å; N747-P917 VanDerWaalsContact ND2-O 3.08Å; P909-P917 HydrophobicContact CG-CG 4.38Å; P909-P917 WeakPolarHBondContact O-CD 3.16Å; P917-I920 HydrophobicContact CB-CG1 4.38Å; P917-I920 HydrophobicContact CG-CD1 4.32Å; P917-I920 HydrophobicContact CG-CG1 3.91Å; P917-F996 HydrophobicContact CB-CE2 4.05Å
918	D	96.9	Very high	94.4	Very high	33 Å²	33	46.3 Å²	46.3	18%	0.176	28%	0.282	C	S	.	.	S	Bend	trans	-83.2	-32.4	166.3	-62.2	-57.8	0	0	0	111.1	A728 T729 N747 S750	A728-D918 HydrophobicContact CB-CB 4.35Å; T729-D918 WeakPolarHBondContact CB-OD2 3.47Å; T729-D918 PolarHBondContact N-OD2 3.11Å; T729-D918 PolarHBondContact O-N 2.97Å; T729-D918 PolarHBondContact OG1-OD2 3.09Å; N747-D918 PolarHBondContact N-O 3.4Å; S750-D918 VanDerWaalsContact CB-OD1 3.29Å; S750-D918 WeakPolarHBondContact CB-OD1 3.41Å; S750-D918 PolarHBondContact OG-OD1 2.93Å
919	L	95.6	Very high	94.3	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	131.2	-176	-177.6	155.3	0	0	0	110.2	T729 V730 A731 I744 I745 L746 M921 Y1001	T729-L919 PolarHBondContact O-N 3.39Å; V730-L919 VanDerWaalsContact CA-O 3.31Å; V730-L919 WeakPolarHBondContact CA-O 3.4Å; V730-L919 HydrophobicContact CG1-CD2 4.03Å; V730-L919 HydrophobicContact CG2-CB 4.45Å; V730-L919 HydrophobicContact CG2-CD2 4.19Å; A731-L919 PolarHBondContact N-O 3.4Å; A731-L919 VanDerWaalsContact N-O 3.14Å; I744-L919 HydrophobicContact CB-CD1 4.34Å; I744-L919 HydrophobicContact CB-CD2 4.43Å; I744-L919 HydrophobicContact CB-CG 4.25Å; I744-L919 HydrophobicContact CD1-CD1 3.62Å; I744-L919 HydrophobicContact CD1-CG 4.37Å; I744-L919 HydrophobicContact CG2-CD1 4.48Å; I744-L919 HydrophobicContact CG2-CD2 4.23Å; I745-L919 CarbonylContact O-C 3.45Å; I745-L919 VanDerWaalsContact O-CA 3.31Å; I745-L919 WeakPolarHBondContact O-CA 3.4Å; L746-L919 HydrophobicContact CD2-CB 4.1Å; L746-L919 HydrophobicContact CD2-CD1 3.86Å; L746-L919 HydrophobicContact CD2-CG 4.02Å; L919-M921 HydrophobicContact CD2-CB 4.09Å; L919-Y1001 HydrophobicContact CD1-CD1 3.91Å; L919-Y1001 HydrophobicContact CD1-CD2 4.32Å; L919-Y1001 HydrophobicContact CD1-CE1 3.71Å; L919-Y1001 HydrophobicContact CD1-CE2 4.14Å; L919-Y1001 HydrophobicContact CD1-CG 4.19Å; L919-Y1001 HydrophobicContact CD2-CE1 4.41Å; L919-Y1001 HydrophobicContact CD2-CE2 4.15Å
920	I	96.8	Very high	94.2	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	133.6	168.7	-59	176	0	0	0	108.9	A731 M733 Y735 I745 L908 P909 P917	A731-I920 HydrophobicContact CB-CG1 4.37Å; A731-I920 WeakPolarHBondContact O-CA 3.35Å; M733-I920 HydrophobicContact CG-CG2 3.75Å; M733-I920 WeakPolarHBondContact O-CG2 3.01Å; Y735-I920 HydrophobicContact CD1-CD1 3.98Å; Y735-I920 HydrophobicContact CD2-CD1 4.25Å; Y735-I920 HydrophobicContact CG-CD1 3.78Å; I745-I920 HydrophobicContact CB-CB 4.22Å; I745-I920 PolarHBondContact N-O 3.14Å; I745-I920 PolarHBondContact O-N 3.33Å; L908-I920 HydrophobicContact CD2-CD1 3.64Å; L908-I920 HydrophobicContact CD2-CG1 4.43Å; P909-I920 HydrophobicContact CG-CD1 4.46Å; P917-I920 HydrophobicContact CB-CG1 4.38Å; P917-I920 HydrophobicContact CG-CD1 4.32Å; P917-I920 HydrophobicContact CG-CG1 3.91Å
921	M	95.3	Very high	94.1	Very high	12 Å²	12	48.6 Å²	48.6	6%	0.059	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	133	175.9	-176.6	-164.4	160.9	0	0	110.4	V730 A731 V732 M733 Q895 L919 F926 K934	V730-M921 HydrophobicContact CG1-CB 4.22Å; A731-M921 PolarHBondContact O-N 3.47Å; V732-M921 WeakPolarHBondContact CA-O 3.46Å; M733-M921 PolarHBondContact N-O 3.07Å; M733-M921 VanDerWaalsContact N-O 3.09Å; Q895-M921 PolarHBondContact OE1-SD 3.01Å; L919-M921 HydrophobicContact CD2-CB 4.09Å; M921-F926 HydrophobicContact CE-CD2 4.38Å; M921-F926 HydrophobicContact CE-CE1 4.19Å; M921-F926 HydrophobicContact CE-CE2 3.67Å; M921-F926 HydrophobicContact CE-CZ 3.58Å; M921-F926 HydrophobicContact SD-CE2 4Å; M921-F926 HydrophobicContact SD-CZ 3.64Å; M921-K934 HydrophobicContact SD-CD 4.43Å; M921-K934 PolarHBondContact SD-NZ 3.18Å
922	N	95	Very high	94.2	Very high	16 Å²	16	51.5 Å²	51.5	9%	0.086	31%	0.311	C	S	.	.			trans	-69.8	132.3	177	-167.4	-41.3	0	0	0	112.4	D739 H924	D739-N922 HydrophobicContact CB-CB 4.07Å; D739-N922 WeakPolarHBondContact O-CB 3.37Å; D739-N922 PolarHBondContact O-ND2 3.44Å; D739-N922 PolarHBondContact OD1-ND2 3.45Å; D739-N922 VanDerWaalsContact OD1-ND2 3.12Å; N922-H924 VanDerWaalsContact C-N 3.28Å; N922-H924 PolarHBondContact O-N 3.26Å; N922-H924 WeakPolarHBondContact OD1-CB 3.31Å; N922-H924 PolarHBondContact OD1-CD2 3.15Å; N922-H924 PolarHBondContact OD1-N 3.09Å
923	P	94.9	Very high	94.5	Very high	47 Å²	47	46.6 Å²	46.6	31%	0.305	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-20.6	178.6	25	-35.5	0	0	0	115.3	V732 M733 G925 F926 P927	V732-P923 HydrophobicContact CG1-CB 3.92Å; M733-P923 VanDerWaalsContact C-CD 3.49Å; P923-G925 PolarHBondContact O-N 2.9Å; P923-F926 WeakPolarHBondContact O-CD2 3.38Å; P923-F926 PolarHBondContact O-N 3.02Å; P923-P927 WeakPolarHBondContact O-CD 3.46Å
924	H	93.8	Very high	94.7	Very high	143 Å²	143	40 Å²	40	66%	0.662	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.9	-175.6	-73.7	-66.5	0	0	0	114.1	N922 P927	N922-H924 VanDerWaalsContact C-N 3.28Å; N922-H924 PolarHBondContact O-N 3.26Å; N922-H924 WeakPolarHBondContact OD1-CB 3.31Å; N922-H924 PolarHBondContact OD1-CD2 3.15Å; N922-H924 PolarHBondContact OD1-N 3.09Å; H924-P927 WeakPolarHBondContact O-CD 3.44Å
925	G	90.2	Very high	94.8	Very high	12 Å²	12	40.1 Å²	40.1	12%	0.124	22%	0.224	C	C	.	.	H	α-helix	trans	-70	-25.3	175.1	0	0	0	0	0	114.3	P923 R929	P923-G925 PolarHBondContact O-N 2.9Å; G925-R929 WeakPolarHBondContact O-CB 3.42Å; G925-R929 WeakPolarHBondContact O-CD 3.24Å; G925-R929 WeakPolarHBondContact O-CG 3.22Å; G925-R929 PolarHBondContact O-N 2.95Å
926	F	93.5	Very high	94.9	Very high	25 Å²	25	37.3 Å²	37.3	11%	0.11	21%	0.21	C	C	.	.	H	α-helix	trans	-73.2	-46.8	-173.4	-63.4	-75.9	0	0	0	114.3	V732 M921 P923 S928 R929 M930 K934 L935	V732-F926 HydrophobicContact CG1-CD2 4.26Å; V732-F926 HydrophobicContact CG1-CE2 3.54Å; V732-F926 HydrophobicContact CG1-CZ 4.41Å; V732-F926 HydrophobicContact CG2-CE2 4.25Å; V732-F926 HydrophobicContact CG2-CZ 4.33Å; M921-F926 HydrophobicContact CE-CD2 4.38Å; M921-F926 HydrophobicContact CE-CE1 4.19Å; M921-F926 HydrophobicContact CE-CE2 3.67Å; M921-F926 HydrophobicContact CE-CZ 3.58Å; M921-F926 HydrophobicContact SD-CE2 4Å; M921-F926 HydrophobicContact SD-CZ 3.64Å; P923-F926 WeakPolarHBondContact O-CD2 3.38Å; P923-F926 PolarHBondContact O-N 3.02Å; F926-S928 PolarHBondContact O-N 3.31Å; F926-R929 PolarHBondContact O-N 2.82Å; F926-M930 WeakPolarHBondContact O-CA 3.29Å; F926-M930 PolarHBondContact O-N 2.82Å; F926-K934 HydrophobicContact CE1-CB 4.21Å; F926-K934 HydrophobicContact CE1-CD 3.97Å; F926-K934 HydrophobicContact CE1-CG 4.27Å; F926-K934 HydrophobicContact CZ-CD 4.28Å; F926-L935 HydrophobicContact CD1-CD2 4.15Å; F926-L935 HydrophobicContact CD1-CG 4.23Å; F926-L935 HydrophobicContact CE1-CD2 3.81Å; F926-L935 HydrophobicContact CE1-CG 4.17Å; F926-L935 HydrophobicContact CE2-CD2 4.35Å; F926-L935 HydrophobicContact CZ-CD2 3.92Å
927	P	94.5	Very high	94.9	Very high	104 Å²	104	36.7 Å²	36.7	68%	0.675	21%	0.205	S	C	*	.	H	α-helix	trans	-61.7	-44.6	-176.3	-25.5	35.8	0	0	0	113.5	P923 H924	P923-P927 WeakPolarHBondContact O-CD 3.46Å; H924-P927 WeakPolarHBondContact O-CD 3.44Å
928	S	92.2	Very high	94.8	Very high	94 Å²	94	36.6 Å²	36.6	66%	0.657	21%	0.205	S	C	*	.	H	α-helix	trans	-68.6	-35.8	179.5	163	0	0	0	0	112.8	F926	F926-S928 PolarHBondContact O-N 3.31Å
929	R	92.6	Very high	94.8	Very high	34 Å²	34	35.7 Å²	35.7	13%	0.128	20%	0.2	C	C	.	.	H	α-helix	trans	-96.2	-18.3	-169.8	-58.6	-172.6	166.5	172.4	-4	113.9	R671 D742 G925 F926 T931	R671-R929 VanDerWaalsContact CZ-CG 3.47Å; D742-R929 IonicContact OD1-CZ 3.51Å; D742-R929 IonicContact OD1-NH1 2.74Å; D742-R929 PolarHBondContact OD1-NH1 3.25Å; D742-R929 IonicContact OD1-NH2 3.49Å; D742-R929 PolarHBondContact OD1-NH2 2.72Å; D742-R929 IonicContact OD2-CZ 2.66Å; D742-R929 IonicContact OD2-NH1 2.76Å; D742-R929 IonicContact OD2-NH2 3.19Å; D742-R929 PolarHBondContact OD2-NH2 3.44Å; G925-R929 WeakPolarHBondContact O-CB 3.42Å; G925-R929 WeakPolarHBondContact O-CD 3.24Å; G925-R929 WeakPolarHBondContact O-CG 3.22Å; G925-R929 PolarHBondContact O-N 2.95Å; F926-R929 PolarHBondContact O-N 2.82Å; R929-T931 HydrophobicContact CB-CG2 3.99Å; R929-T931 PolarHBondContact O-N 2.87Å
930	M	95.8	Very high	94.8	Very high	97 Å²	97	35.7 Å²	35.7	48%	0.478	20%	0.2	S	C	.	.			trans	50.2	40.4	-178.8	-57.1	179.9	-72.4	0	0	112.7	Q668 F926 V932	Q668-M930 HydrophobicContact CB-CE 4.42Å; Q668-M930 HydrophobicContact CG-CE 4.11Å; F926-M930 WeakPolarHBondContact O-CA 3.29Å; F926-M930 PolarHBondContact O-N 2.82Å; M930-V932 VanDerWaalsContact C-N 3.25Å; M930-V932 PolarHBondContact O-N 3.29Å; M930-V932 VanDerWaalsContact O-N 3.1Å
931	T	95.1	Very high	94.7	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	20%	0.2	C	C	.	.			trans	-86.9	64	177.6	55.6	0	0	0	0	110.4	N667 R671 H893 Q895 R929 G933 K934	N667-T931 WeakPolarHBondContact OD1-CA 3.21Å; R671-T931 HydrophobicContact CB-CG2 4.06Å; R671-T931 HydrophobicContact CG-CG2 3.63Å; H893-T931 HydrophobicContact CB-CG2 4.35Å; Q895-T931 HydrophobicContact CG-CG2 4.33Å; Q895-T931 PolarHBondContact NE2-OG1 2.79Å; R929-T931 HydrophobicContact CB-CG2 3.99Å; R929-T931 PolarHBondContact O-N 2.87Å; T931-G933 PolarHBondContact O-N 3.27Å; T931-K934 PolarHBondContact O-N 2.96Å
932	V	95.5	Very high	94.7	Very high	65 Å²	65	35.7 Å²	35.7	39%	0.394	20%	0.2	S	C	.	.	H	α-helix	trans	-66.4	-29.5	-177.9	-177.3	0	0	0	0	110.8	H666 M930 K934 L935 M936	H666-V932 HydrophobicContact CB-CB 4.37Å; H666-V932 PolarHBondContact O-N 2.68Å; M930-V932 VanDerWaalsContact C-N 3.25Å; M930-V932 PolarHBondContact O-N 3.29Å; M930-V932 VanDerWaalsContact O-N 3.1Å; V932-K934 PolarHBondContact O-N 3.47Å; V932-K934 VanDerWaalsContact O-N 3.11Å; V932-L935 WeakPolarHBondContact O-CB 3.43Å; V932-L935 PolarHBondContact O-N 2.62Å; V932-M936 HydrophobicContact CG1-CE 4.09Å; V932-M936 PolarHBondContact O-N 3.34Å; V932-M936 VanDerWaalsContact O-N 3.13Å
933	G	95.6	Very high	94.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-54.3	-31.3	174.5	0	0	0	0	0	113.7	H666 N667 H893 T931 M936 E937	H666-G933 PolarHBondContact O-N 3.26Å; N667-G933 WeakPolarHBondContact OD1-CA 3.02Å; N667-G933 PolarHBondContact OD1-N 2.92Å; H893-G933 PolarHBondContact CE1-O 3.09Å; T931-G933 PolarHBondContact O-N 3.27Å; G933-M936 WeakPolarHBondContact O-CB 3.45Å; G933-M936 PolarHBondContact O-N 3.06Å; G933-E937 PolarHBondContact O-N 3.02Å
934	K	95.9	Very high	94.7	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	18%	0.181	C	C	.	.	H	α-helix	trans	-69.6	-35.6	177	-172.8	172.6	-178	178.3	0	112.4	H893 M921 F926 T931 V932 M936 L938 I999 Y1001	H893-K934 HydrophobicContact CB-CB 4.2Å; H893-K934 PolarHBondContact CE1-N 3.12Å; H893-K934 WeakPolarHBondContact NE2-CA 3.35Å; H893-K934 PolarHBondContact NE2-N 3.25Å; M921-K934 HydrophobicContact SD-CD 4.43Å; M921-K934 PolarHBondContact SD-NZ 3.18Å; F926-K934 HydrophobicContact CE1-CB 4.21Å; F926-K934 HydrophobicContact CE1-CD 3.97Å; F926-K934 HydrophobicContact CE1-CG 4.27Å; F926-K934 HydrophobicContact CZ-CD 4.28Å; T931-K934 PolarHBondContact O-N 2.96Å; V932-K934 PolarHBondContact O-N 3.47Å; V932-K934 VanDerWaalsContact O-N 3.11Å; K934-M936 VanDerWaalsContact C-N 3.35Å; K934-L938 PolarHBondContact O-N 3.16Å; K934-I999 HydrophobicContact CG-CD1 4.05Å; K934-Y1001 PolarHBondContact NZ-OH 2.99Å
935	L	95.1	Very high	94.8	Very high	52 Å²	52	29.6 Å²	29.6	27%	0.272	17%	0.172	S	C	.	.	H	α-helix	trans	-68	-41.6	175.3	-59.9	176.3	0	0	0	109.9	F926 V932 L938 L939 Y995	F926-L935 HydrophobicContact CD1-CD2 4.15Å; F926-L935 HydrophobicContact CD1-CG 4.23Å; F926-L935 HydrophobicContact CE1-CD2 3.81Å; F926-L935 HydrophobicContact CE1-CG 4.17Å; F926-L935 HydrophobicContact CE2-CD2 4.35Å; F926-L935 HydrophobicContact CZ-CD2 3.92Å; V932-L935 WeakPolarHBondContact O-CB 3.43Å; V932-L935 PolarHBondContact O-N 2.62Å; L935-L938 PolarHBondContact O-N 3.17Å; L935-L939 PolarHBondContact O-N 3.45Å; L935-Y995 VanDerWaalsContact C-OH 3.3Å; L935-Y995 HydrophobicContact CB-CE1 4.12Å; L935-Y995 HydrophobicContact CD2-CD1 4.01Å; L935-Y995 HydrophobicContact CD2-CE1 3.69Å; L935-Y995 PolarHBondContact O-OH 2.9Å
936	M	95.3	Very high	94.9	Very high	29 Å²	29	33.4 Å²	33.4	14%	0.143	19%	0.189	C	C	.	.	H	α-helix	trans	-63.4	-41.7	174.7	-66.7	-176.8	173.5	0	0	112.5	Y663 H666 V932 G933 K934 L938 L939 A940 M961	Y663-M936 HydrophobicContact CD1-SD 4.49Å; Y663-M936 HydrophobicContact CD2-CB 3.89Å; Y663-M936 HydrophobicContact CE2-CB 4.17Å; Y663-M936 HydrophobicContact CG-CB 4.32Å; Y663-M936 HydrophobicContact CG-SD 4.38Å; H666-M936 HydrophobicContact CB-SD 4.19Å; H666-M936 PolarHBondContact CD2-SD 2.96Å; V932-M936 HydrophobicContact CG1-CE 4.09Å; V932-M936 PolarHBondContact O-N 3.34Å; V932-M936 VanDerWaalsContact O-N 3.13Å; G933-M936 WeakPolarHBondContact O-CB 3.45Å; G933-M936 PolarHBondContact O-N 3.06Å; K934-M936 VanDerWaalsContact C-N 3.35Å; M936-L938 VanDerWaalsContact C-N 3.27Å; M936-L938 PolarHBondContact O-N 3.36Å; M936-L939 PolarHBondContact O-N 3.39Å; M936-A940 WeakPolarHBondContact O-CB 3.33Å; M936-A940 PolarHBondContact O-N 3.11Å; M936-M961 HydrophobicContact CB-CE 3.57Å; M936-M961 HydrophobicContact CB-SD 3.86Å; M936-M961 HydrophobicContact CE-CG 4.01Å; M936-M961 HydrophobicContact CG-CE 3.8Å; M936-M961 HydrophobicContact CG-CG 4.2Å; M936-M961 HydrophobicContact CG-SD 3.66Å; M936-M961 HydrophobicContact SD-CE 3.96Å; M936-M961 HydrophobicContact SD-CG 4.17Å; M936-M961 HydrophobicContact SD-SD 4.25Å
937	E	96.3	Very high	95	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.009	20%	0.198	C	C	.	.	H	α-helix	trans	-56	-42.3	174.7	-174.5	-179.1	-155.8	0	0	111.3	P662 V709 R892 H893 G933 G941	P662-E937 HydrophobicContact CG-CB 4.22Å; P662-E937 HydrophobicContact CG-CG 3.99Å; V709-E937 HydrophobicContact CB-CG 4.01Å; V709-E937 HydrophobicContact CG2-CG 3.94Å; V709-E937 WeakPolarHBondContact CG2-O 3.41Å; R892-E937 IonicContact CZ-OE1 3.29Å; R892-E937 IonicContact NH1-OE1 2.91Å; R892-E937 PolarHBondContact NH1-OE1 3.34Å; H893-E937 IonicContact CD2-OE2 2.73Å; H893-E937 PolarHBondContact CD2-OE2 2.92Å; H893-E937 IonicContact NE2-OE2 3.79Å; H893-E937 PolarHBondContact NE2-OE2 3.06Å; G933-E937 PolarHBondContact O-N 3.02Å; E937-G941 WeakPolarHBondContact O-CA 3.43Å; E937-G941 PolarHBondContact O-N 3.34Å
938	L	95.9	Very high	94.9	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.4	-43.7	179.3	-175	154	0	0	0	112.4	K934 L935 M936 K942 Y995 I999	K934-L938 PolarHBondContact O-N 3.16Å; L935-L938 PolarHBondContact O-N 3.17Å; M936-L938 VanDerWaalsContact C-N 3.27Å; M936-L938 PolarHBondContact O-N 3.36Å; L938-K942 VanDerWaalsContact O-CB 3.27Å; L938-K942 WeakPolarHBondContact O-CB 3.38Å; L938-K942 PolarHBondContact O-N 2.9Å; L938-Y995 HydrophobicContact CB-CD1 4.47Å; L938-Y995 HydrophobicContact CB-CE1 3.75Å; L938-Y995 HydrophobicContact CD1-CD1 3.51Å; L938-Y995 HydrophobicContact CD1-CE1 3.67Å; L938-Y995 HydrophobicContact CD2-CD1 3.8Å; L938-Y995 HydrophobicContact CD2-CE1 3.51Å; L938-Y995 HydrophobicContact CD2-CE2 4.42Å; L938-Y995 HydrophobicContact CD2-CG 4.37Å; L938-Y995 HydrophobicContact CG-CD1 4.12Å; L938-Y995 HydrophobicContact CG-CE1 3.83Å; L938-I999 HydrophobicContact CB-CD1 4.09Å; L938-I999 HydrophobicContact CB-CG1 3.91Å; L938-I999 HydrophobicContact CD1-CD1 3.83Å; L938-I999 HydrophobicContact CD1-CG1 4.07Å; L938-I999 HydrophobicContact CG-CD1 4.43Å; L938-I999 HydrophobicContact CG-CG1 4.23Å
939	L	95.3	Very high	95	Very high	14 Å²	14	36.4 Å²	36.4	7%	0.073	20%	0.2	C	C	.	.	H	α-helix	trans	-66.6	-49.7	178.4	-63.5	173.1	0	0	0	111.4	L935 M936 G941 K942 V943 I964 L968 Y995	L935-L939 PolarHBondContact O-N 3.45Å; M936-L939 PolarHBondContact O-N 3.39Å; L939-G941 VanDerWaalsContact C-N 3.29Å; L939-G941 PolarHBondContact O-N 3.39Å; L939-K942 WeakPolarHBondContact O-CB 3.4Å; L939-K942 PolarHBondContact O-N 2.88Å; L939-V943 PolarHBondContact O-N 2.94Å; L939-I964 HydrophobicContact CB-CG2 3.88Å; L939-L968 HydrophobicContact CD2-CD1 4Å; L939-Y995 WeakPolarHBondContact CD1-OH 3.37Å; L939-Y995 HydrophobicContact CD2-CE2 3.82Å; L939-Y995 HydrophobicContact CG-CE2 4.29Å; L939-Y995 WeakPolarHBondContact CG-OH 3.48Å
940	A	95.6	Very high	95	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59.8	-43.1	178.8	0	0	0	0	0	110.6	Y663 V709 M936 G944 R951 I964	Y663-A940 HydrophobicContact CE2-CB 4.44Å; V709-A940 HydrophobicContact CG1-CB 4.47Å; V709-A940 HydrophobicContact CG2-CB 3.74Å; M936-A940 WeakPolarHBondContact O-CB 3.33Å; M936-A940 PolarHBondContact O-N 3.11Å; A940-G944 PolarHBondContact O-N 2.8Å; A940-R951 HydrophobicContact CB-CB 4.01Å; A940-R951 HydrophobicContact CB-CG 4.27Å; A940-R951 WeakPolarHBondContact O-CG 3.48Å; A940-I964 HydrophobicContact CB-CD1 3.81Å
941	G	95.7	Very high	94.9	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-62.5	-42.8	176	0	0	0	0	0	112.3	E937 L939 G944 V945 P998	E937-G941 WeakPolarHBondContact O-CA 3.43Å; E937-G941 PolarHBondContact O-N 3.34Å; L939-G941 VanDerWaalsContact C-N 3.29Å; L939-G941 PolarHBondContact O-N 3.39Å; G941-G944 PolarHBondContact O-N 3.1Å; G941-V945 WeakPolarHBondContact O-CG2 3.49Å; G941-V945 PolarHBondContact O-N 2.66Å; G941-P998 VanDerWaalsContact C-CG 3.4Å
942	K	95.3	Very high	94.9	Very high	12 Å²	12	37.6 Å²	37.6	5%	0.052	20%	0.202	C	C	.	.	H	α-helix	trans	-62.2	-50.8	178.4	-172.2	176.2	-167.6	162.1	0	111.9	L938 L939 G944 V945 L946 L968 G977 E979 F996	L938-K942 VanDerWaalsContact O-CB 3.27Å; L938-K942 WeakPolarHBondContact O-CB 3.38Å; L938-K942 PolarHBondContact O-N 2.9Å; L939-K942 WeakPolarHBondContact O-CB 3.4Å; L939-K942 PolarHBondContact O-N 2.88Å; K942-G944 VanDerWaalsContact C-N 3.29Å; K942-G944 PolarHBondContact O-N 3.25Å; K942-V945 PolarHBondContact O-N 2.8Å; K942-L946 HydrophobicContact CG-CD1 4.16Å; K942-L946 WeakPolarHBondContact O-CG 3.28Å; K942-L946 PolarHBondContact O-N 3.47Å; K942-L946 VanDerWaalsContact O-N 3.14Å; K942-L968 HydrophobicContact CD-CD2 4.37Å; K942-G977 PolarHBondContact NZ-O 2.73Å; K942-E979 WeakPolarHBondContact CE-OE1 3.14Å; K942-E979 IonicContact NZ-OE1 2.85Å; K942-E979 PolarHBondContact NZ-OE1 2.98Å; K942-F996 PolarHBondContact NZ-O 3.21Å
943	V	95.2	Very high	94.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.7	-41.1	175.5	176.2	0	0	0	0	110.6	L939 V945 L946 T947 I964 E967 L968	L939-V943 PolarHBondContact O-N 2.94Å; V943-V945 PolarHBondContact O-N 3.22Å; V943-L946 PolarHBondContact O-N 2.8Å; V943-T947 HydrophobicContact CG1-CG2 3.93Å; V943-T947 WeakPolarHBondContact O-CB 3.41Å; V943-T947 WeakPolarHBondContact O-CG2 3.46Å; V943-T947 PolarHBondContact O-N 2.92Å; V943-T947 PolarHBondContact O-OG1 2.93Å; V943-I964 HydrophobicContact CB-CG2 4.45Å; V943-I964 HydrophobicContact CG2-CG2 3.74Å; V943-E967 HydrophobicContact CG1-CB 3.9Å; V943-E967 WeakPolarHBondContact CG1-OE2 3.37Å; V943-L968 HydrophobicContact CG2-CD1 4.21Å; V943-L968 HydrophobicContact CG2-CD2 3.44Å; V943-L968 VanDerWaalsContact CG2-CD2 3.44Å; V943-L968 HydrophobicContact CG2-CG 3.43Å; V943-L968 VanDerWaalsContact CG2-CG 3.43Å
944	G	94.7	Very high	94.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.3	-45	178.7	0	0	0	0	0	113.5	A940 G941 K942 T947 G948 R949	A940-G944 PolarHBondContact O-N 2.8Å; G941-G944 PolarHBondContact O-N 3.1Å; K942-G944 VanDerWaalsContact C-N 3.29Å; K942-G944 PolarHBondContact O-N 3.25Å; G944-T947 PolarHBondContact O-OG1 2.89Å; G944-G948 CarbonylContact O-C 3.53Å; G944-G948 WeakPolarHBondContact O-CA 3.49Å; G944-G948 PolarHBondContact O-N 2.9Å; G944-R949 CarbonylContact C-O 3.39Å; G944-R949 WeakPolarHBondContact CA-O 3.22Å; G944-R949 PolarHBondContact O-N 2.89Å
945	V	95.3	Very high	94.8	Very high	79 Å²	79	34.9 Å²	34.9	48%	0.479	19%	0.185	S	C	.	.	H	α-helix	trans	-63.7	-42.6	176	174.3	0	0	0	0	111.4	M708 G941 K942 V943 G948 P998	M708-V945 HydrophobicContact CE-CG2 3.69Å; M708-V945 HydrophobicContact CG-CG2 3.92Å; M708-V945 HydrophobicContact SD-CG2 4.11Å; G941-V945 WeakPolarHBondContact O-CG2 3.49Å; G941-V945 PolarHBondContact O-N 2.66Å; K942-V945 PolarHBondContact O-N 2.8Å; V943-V945 PolarHBondContact O-N 3.22Å; V945-G948 PolarHBondContact O-N 2.99Å; V945-P998 HydrophobicContact CG2-CG 3.99Å
946	L	93.7	Very high	94.6	Very high	92 Å²	92	37.3 Å²	37.3	48%	0.482	19%	0.194	S	C	.	.	H	α-helix	trans	-74.3	-32.4	-176.5	-67.3	170	0	0	0	113.7	K942 V943 L971 L973	K942-L946 HydrophobicContact CG-CD1 4.16Å; K942-L946 WeakPolarHBondContact O-CG 3.28Å; K942-L946 PolarHBondContact O-N 3.47Å; K942-L946 VanDerWaalsContact O-N 3.14Å; V943-L946 PolarHBondContact O-N 2.8Å; L946-L971 HydrophobicContact CB-CD1 3.73Å; L946-L971 HydrophobicContact CB-CD2 4.46Å; L946-L971 HydrophobicContact CD1-CD1 3.98Å; L946-L973 HydrophobicContact CD1-CD1 3.25Å
947	T	94.1	Very high	94	Very high	49 Å²	49	40.7 Å²	40.7	30%	0.301	21%	0.209	S	C	.	.	H	α-helix	trans	-88	-9.2	176.8	57.8	0	0	0	0	113.2	V943 G944 L971	V943-T947 HydrophobicContact CG1-CG2 3.93Å; V943-T947 WeakPolarHBondContact O-CB 3.41Å; V943-T947 WeakPolarHBondContact O-CG2 3.46Å; V943-T947 PolarHBondContact O-N 2.92Å; V943-T947 PolarHBondContact O-OG1 2.93Å; G944-T947 PolarHBondContact O-OG1 2.89Å; T947-L971 HydrophobicContact CG2-CD1 4.2Å
948	G	93.3	Very high	93.4	Very high	71 Å²	71	40.9 Å²	40.9	73%	0.732	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.7	24.1	-176.1	0	0	0	0	0	114.1	G944 V945	G944-G948 CarbonylContact O-C 3.53Å; G944-G948 WeakPolarHBondContact O-CA 3.49Å; G944-G948 PolarHBondContact O-N 2.9Å; V945-G948 PolarHBondContact O-N 2.99Å
949	R	92.9	Very high	93.1	Very high	166 Å²	166	42.9 Å²	42.9	63%	0.626	22%	0.222	S	C	*	.			trans	-121.9	139.4	-178.9	-62.8	-178.9	-179.4	175.8	-0.3	111.2	G944	G944-R949 CarbonylContact C-O 3.39Å; G944-R949 WeakPolarHBondContact CA-O 3.22Å; G944-R949 PolarHBondContact O-N 2.89Å
950	Q	93.4	Very high	92.9	Very high	61 Å²	61	47.9 Å²	47.9	29%	0.285	25%	0.245	S	C	.	.			trans	-75	135.3	164.9	-71.6	173	-42.8	0	0	109	P707 M708 K710	P707-Q950 PolarHBondContact O-NE2 3.18Å; M708-Q950 HydrophobicContact CE-CG 4.47Å; K710-Q950 HydrophobicContact CD-CB 4.3Å
951	R	94.8	Very high	92.7	Very high	24 Å²	24	49.3 Å²	49.3	9%	0.091	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	156.4	179.5	-65.6	-48.7	-143.7	146.9	7.2	111.5	M708 V709 K710 A940 D959 E967	M708-R951 PolarHBondContact O-N 2.9Å; V709-R951 CarbonylContact C-O 3.6Å; V709-R951 WeakPolarHBondContact CA-O 3.5Å; K710-R951 PolarHBondContact N-O 2.78Å; A940-R951 HydrophobicContact CB-CB 4.01Å; A940-R951 HydrophobicContact CB-CG 4.27Å; A940-R951 WeakPolarHBondContact O-CG 3.48Å; R951-D959 WeakPolarHBondContact CA-OD2 3.49Å; R951-D959 VanDerWaalsContact CB-OD2 3.24Å; R951-D959 WeakPolarHBondContact CB-OD2 3.4Å; R951-D959 VanDerWaalsContact CD-OD2 3.31Å; R951-D959 WeakPolarHBondContact CD-OD2 3.49Å; R951-D959 IonicContact NH1-OD2 3.49Å; R951-E967 IonicContact CZ-OE1 3.54Å; R951-E967 IonicContact CZ-OE2 2.98Å; R951-E967 IonicContact NH1-OE1 2.67Å; R951-E967 IonicContact NH2-OE1 3.12Å; R951-E967 PolarHBondContact NH2-OE1 3.24Å; R951-E967 IonicContact NH2-OE2 3.51Å; R951-E967 PolarHBondContact NH2-OE2 2.84Å
952	Y	95.3	Very high	92.6	Very high	72 Å²	72	52 Å²	52	28%	0.282	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	119.2	-179.8	-77.5	-80	0	0	0	112.1	Y663 K710 K712 D715 G958 D959	Y663-Y952 PolarHBondContact OH-O 3.4Å; K710-Y952 HydrophobicContact CD-CE1 4.41Å; K710-Y952 VanDerWaalsContact CE-OH 3.3Å; K710-Y952 WeakPolarHBondContact CE-OH 3.44Å; K710-Y952 HydrophobicContact CG-CD1 4.17Å; K710-Y952 HydrophobicContact CG-CE1 3.92Å; K710-Y952 CarbonylContact O-C 3.48Å; K710-Y952 VanDerWaalsContact O-CA 3.3Å; K710-Y952 WeakPolarHBondContact O-CA 3.41Å; K712-Y952 HydrophobicContact CG-CD1 4.21Å; K712-Y952 HydrophobicContact CG-CE1 4.21Å; D715-Y952 VanDerWaalsContact OD2-CE1 3.25Å; D715-Y952 WeakPolarHBondContact OD2-CE1 3.43Å; D715-Y952 PolarHBondContact OD2-OH 2.82Å; Y952-G958 CarbonylContact O-C 3.57Å; Y952-G958 WeakPolarHBondContact O-CA 3.47Å; Y952-D959 PolarHBondContact N-OD2 3.47Å; Y952-D959 PolarHBondContact O-N 3.26Å
953	G	94.8	Very high	92.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.293	C	S	.	.			trans	-103.6	33.5	172.2	0	0	0	0	0	113.3	P662 Y663 K710	P662-G953 CarbonylContact C-O 3.54Å; P662-G953 WeakPolarHBondContact CA-O 3.4Å; Y663-G953 PolarHBondContact N-O 2.84Å; K710-G953 PolarHBondContact O-N 2.85Å
954	T	94.8	Very high	92.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.293	C	S	.	.			trans	-64.4	145	-175.9	-53.2	0	0	0	0	111.5	F651 K712 F956 H957 G958	F651-T954 HydrophobicContact CB-CG2 4.04Å; F651-T954 HydrophobicContact CD1-CG2 4.12Å; F651-T954 HydrophobicContact CD2-CG2 4.39Å; F651-T954 HydrophobicContact CG-CG2 3.93Å; K712-T954 HydrophobicContact CB-CG2 4.15Å; K712-T954 HydrophobicContact CD-CG2 4.49Å; K712-T954 HydrophobicContact CG-CG2 4.33Å; K712-T954 PolarHBondContact N-OG1 2.81Å; T954-F956 PolarHBondContact O-N 2.91Å; T954-H957 HydrophobicContact CG2-CB 4.45Å; T954-H957 PolarHBondContact O-N 2.76Å; T954-G958 PolarHBondContact O-N 3.09Å
955	V	93.4	Very high	92.4	Very high	9 Å²	9	61 Å²	61	6%	0.055	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	133.5	179.6	-159.4	0	0	0	0	110.6	F651 L654 P664 H665 H957	F651-V955 HydrophobicContact CB-CB 4.04Å; F651-V955 HydrophobicContact CB-CG2 4.44Å; L654-V955 HydrophobicContact CD1-CG2 3.54Å; L654-V955 HydrophobicContact CG-CG2 4.3Å; P664-V955 HydrophobicContact CG-CB 4.09Å; P664-V955 HydrophobicContact CG-CG1 3.89Å; P664-V955 HydrophobicContact CG-CG2 3.29Å; H665-V955 HydrophobicContact CB-CG1 4.42Å; V955-H957 PolarHBondContact O-N 3.1Å
956	F	90.9	Very high	92.3	Very high	103 Å²	103	62.7 Å²	62.7	45%	0.452	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	4.9	178.3	-45.7	-54.5	0	0	0	116.4	P650 H665 T954	P650-F956 HydrophobicContact CB-CD2 4.2Å; H665-F956 HydrophobicContact CB-CD1 4.11Å; H665-F956 HydrophobicContact CB-CE1 3.75Å; H665-F956 PolarHBondContact ND1-N 3.38Å; T954-F956 PolarHBondContact O-N 2.91Å
957	H	84.4	Confident	92.3	Very high	100 Å²	100	60.8 Å²	60.8	46%	0.463	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.7	-16.5	-173.7	-174.2	79.9	0	0	0	114.7	K712 T954 V955	K712-H957 PolarHBondContact NZ-CD2 3.46Å; K712-H957 PolarHBondContact NZ-NE2 2.98Å; T954-H957 HydrophobicContact CG2-CB 4.45Å; T954-H957 PolarHBondContact O-N 2.76Å; V955-H957 PolarHBondContact O-N 3.1Å
958	G	82.2	Confident	92.3	Very high	5 Å²	5	58.4 Å²	58.4	5%	0.052	29%	0.291	C	S	.	.	S	Bend	trans	-56.5	171.5	-173.4	0	0	0	0	0	115.8	Y952 T954 Q960	Y952-G958 CarbonylContact O-C 3.57Å; Y952-G958 WeakPolarHBondContact O-CA 3.47Å; T954-G958 PolarHBondContact O-N 3.09Å; G958-Q960 PolarHBondContact O-N 3.43Å; G958-Q960 PolarHBondContact O-NE2 3.25Å; G958-Q960 VanDerWaalsContact O-NE2 3.1Å
959	D	90	Very high	92.4	Very high	42 Å²	42	59.9 Å²	59.9	23%	0.225	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-54.4	131	-178.1	-63	-17.6	0	0	0	110.7	Y663 R951 Y952 I964	Y663-D959 PolarHBondContact OH-O 3.24Å; R951-D959 WeakPolarHBondContact CA-OD2 3.49Å; R951-D959 VanDerWaalsContact CB-OD2 3.24Å; R951-D959 WeakPolarHBondContact CB-OD2 3.4Å; R951-D959 VanDerWaalsContact CD-OD2 3.31Å; R951-D959 WeakPolarHBondContact CD-OD2 3.49Å; R951-D959 IonicContact NH1-OD2 3.49Å; Y952-D959 PolarHBondContact N-OD2 3.47Å; Y952-D959 PolarHBondContact O-N 3.26Å; D959-I964 HydrophobicContact CB-CD1 4.12Å
960	Q	92.1	Very high	92.4	Very high	120 Å²	120	59.6 Å²	59.6	56%	0.561	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-74.4	141.3	-176.6	-62.2	-59.3	-50.2	0	0	110.5	G958 A962 D963 I964	G958-Q960 PolarHBondContact O-N 3.43Å; G958-Q960 PolarHBondContact O-NE2 3.25Å; G958-Q960 VanDerWaalsContact O-NE2 3.1Å; Q960-A962 PolarHBondContact O-N 3.36Å; Q960-D963 PolarHBondContact O-N 3.27Å; Q960-I964 WeakPolarHBondContact O-CG1 2.86Å; Q960-I964 PolarHBondContact O-N 2.93Å
961	M	91.5	Very high	92.4	Very high	30 Å²	30	60.2 Å²	60.2	15%	0.148	29%	0.291	C	S	.	.	H	α-helix	trans	-67.7	-19.3	-179.3	-65	-63.7	127.8	0	0	112.9	Y663 M936 I964 R965	Y663-M961 HydrophobicContact CE1-CE 3.82Å; Y663-M961 HydrophobicContact CE2-CE 3.98Å; M936-M961 HydrophobicContact CB-CE 3.57Å; M936-M961 HydrophobicContact CB-SD 3.86Å; M936-M961 HydrophobicContact CE-CG 4.01Å; M936-M961 HydrophobicContact CG-CE 3.8Å; M936-M961 HydrophobicContact CG-CG 4.2Å; M936-M961 HydrophobicContact CG-SD 3.66Å; M936-M961 HydrophobicContact SD-CE 3.96Å; M936-M961 HydrophobicContact SD-CG 4.17Å; M936-M961 HydrophobicContact SD-SD 4.25Å; M961-I964 HydrophobicContact CE-CD1 3.65Å; M961-I964 HydrophobicContact SD-CD1 3.97Å; M961-R965 WeakPolarHBondContact O-CD 3.29Å; M961-R965 WeakPolarHBondContact O-CG 3.44Å; M961-R965 PolarHBondContact O-N 3.07Å
962	A	93.5	Very high	92.3	Very high	57 Å²	57	62.5 Å²	62.5	47%	0.471	32%	0.322	S	S	.	.	H	α-helix	trans	-64.8	-53.3	174.3	0	0	0	0	0	110.5	Q960 I964 R965 E966	Q960-A962 PolarHBondContact O-N 3.36Å; A962-I964 VanDerWaalsContact C-N 3.32Å; A962-I964 PolarHBondContact O-N 3.31Å; A962-R965 WeakPolarHBondContact O-CB 3.46Å; A962-R965 PolarHBondContact O-N 3.13Å; A962-E966 PolarHBondContact O-N 2.95Å; A962-E966 VanDerWaalsContact O-N 3.07Å
963	D	92.3	Very high	92.1	Very high	83 Å²	83	61.4 Å²	61.4	44%	0.444	32%	0.321	S	S	.	.	H	α-helix	trans	-59.9	-42.6	179.7	-47.2	-14.8	0	0	0	111.5	Q960 R965 E966 E967	Q960-D963 PolarHBondContact O-N 3.27Å; D963-R965 VanDerWaalsContact C-N 3.28Å; D963-R965 PolarHBondContact O-N 3.07Å; D963-E966 PolarHBondContact O-N 2.89Å; D963-E967 PolarHBondContact O-N 2.93Å
964	I	93.4	Very high	92	Very high	1 Å²	1	64 Å²	64	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-60.8	-38.1	176.8	-66	169.7	0	0	0	111.2	L939 A940 V943 D959 Q960 M961 A962 L968	L939-I964 HydrophobicContact CB-CG2 3.88Å; A940-I964 HydrophobicContact CB-CD1 3.81Å; V943-I964 HydrophobicContact CB-CG2 4.45Å; V943-I964 HydrophobicContact CG2-CG2 3.74Å; D959-I964 HydrophobicContact CB-CD1 4.12Å; Q960-I964 WeakPolarHBondContact O-CG1 2.86Å; Q960-I964 PolarHBondContact O-N 2.93Å; M961-I964 HydrophobicContact CE-CD1 3.65Å; M961-I964 HydrophobicContact SD-CD1 3.97Å; A962-I964 VanDerWaalsContact C-N 3.32Å; A962-I964 PolarHBondContact O-N 3.31Å; I964-L968 HydrophobicContact CG2-CD1 4.44Å; I964-L968 WeakPolarHBondContact O-CG 3.45Å; I964-L968 PolarHBondContact O-N 3.31Å
965	R	93.8	Very high	91.9	Very high	116 Å²	116	69.4 Å²	69.4	44%	0.438	36%	0.356	S	S	.	.	H	α-helix	trans	-69.5	-42.7	178.7	-73.5	167.1	-174.8	-170.3	4.8	111.6	M961 A962 D963 E967 L968 I969 Y975	M961-R965 WeakPolarHBondContact O-CD 3.29Å; M961-R965 WeakPolarHBondContact O-CG 3.44Å; M961-R965 PolarHBondContact O-N 3.07Å; A962-R965 WeakPolarHBondContact O-CB 3.46Å; A962-R965 PolarHBondContact O-N 3.13Å; D963-R965 VanDerWaalsContact C-N 3.28Å; D963-R965 PolarHBondContact O-N 3.07Å; R965-E967 VanDerWaalsContact C-N 3.33Å; R965-L968 PolarHBondContact O-N 2.76Å; R965-I969 WeakPolarHBondContact O-CG1 3.3Å; R965-I969 PolarHBondContact O-N 3.27Å; R965-I969 VanDerWaalsContact O-N 3.09Å; R965-Y975 WeakPolarHBondContact CG-O 3.49Å
966	E	94.8	Very high	91.8	Very high	116 Å²	116	72.8 Å²	72.8	54%	0.542	37%	0.371	S	S	.	.	H	α-helix	trans	-61.4	-44.3	176.6	-69	-177.8	178.8	0	0	110.8	A962 D963 L968 I969 H970	A962-E966 PolarHBondContact O-N 2.95Å; A962-E966 VanDerWaalsContact O-N 3.07Å; D963-E966 PolarHBondContact O-N 2.89Å; E966-L968 PolarHBondContact O-N 2.72Å; E966-I969 WeakPolarHBondContact O-CB 3.49Å; E966-I969 PolarHBondContact O-N 3.15Å; E966-I969 VanDerWaalsContact O-N 3.16Å; E966-H970 PolarHBondContact O-CD2 2.91Å; E966-H970 PolarHBondContact O-N 3.15Å
967	E	93.7	Very high	91.8	Very high	51 Å²	51	67.9 Å²	67.9	24%	0.238	35%	0.35	C	S	.	.	H	α-helix	trans	-63.7	-38	175.4	-74	-174.1	-141.6	0	0	113.3	V943 R951 D963 R965 I969 H970 L971	V943-E967 HydrophobicContact CG1-CB 3.9Å; V943-E967 WeakPolarHBondContact CG1-OE2 3.37Å; R951-E967 IonicContact CZ-OE1 3.54Å; R951-E967 IonicContact CZ-OE2 2.98Å; R951-E967 IonicContact NH1-OE1 2.67Å; R951-E967 IonicContact NH2-OE1 3.12Å; R951-E967 PolarHBondContact NH2-OE1 3.24Å; R951-E967 IonicContact NH2-OE2 3.51Å; R951-E967 PolarHBondContact NH2-OE2 2.84Å; D963-E967 PolarHBondContact O-N 2.93Å; R965-E967 VanDerWaalsContact C-N 3.33Å; E967-I969 VanDerWaalsContact C-N 3.3Å; E967-I969 PolarHBondContact O-N 3.31Å; E967-H970 PolarHBondContact O-N 3.41Å; E967-L971 VanDerWaalsContact O-CG 3.28Å; E967-L971 WeakPolarHBondContact O-CG 3.41Å; E967-L971 PolarHBondContact O-N 3Å
968	L	93.5	Very high	92.3	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-60.5	-40.6	173.1	-76.9	170.3	0	0	0	111.9	L939 K942 V943 I964 R965 E966 L971 G972 L973	L939-L968 HydrophobicContact CD2-CD1 4Å; K942-L968 HydrophobicContact CD-CD2 4.37Å; V943-L968 HydrophobicContact CG2-CD1 4.21Å; V943-L968 HydrophobicContact CG2-CD2 3.44Å; V943-L968 VanDerWaalsContact CG2-CD2 3.44Å; V943-L968 HydrophobicContact CG2-CG 3.43Å; V943-L968 VanDerWaalsContact CG2-CG 3.43Å; I964-L968 HydrophobicContact CG2-CD1 4.44Å; I964-L968 WeakPolarHBondContact O-CG 3.45Å; I964-L968 PolarHBondContact O-N 3.31Å; R965-L968 PolarHBondContact O-N 2.76Å; E966-L968 PolarHBondContact O-N 2.72Å; L968-L971 PolarHBondContact O-N 3.33Å; L968-G972 PolarHBondContact O-N 3.44Å; L968-L973 HydrophobicContact CD2-CB 4.22Å; L968-L973 HydrophobicContact CD2-CD1 4.09Å; L968-L973 PolarHBondContact O-N 2.99Å
969	I	94.8	Very high	92.9	Very high	101 Å²	101	69 Å²	69	52%	0.518	35%	0.352	S	S	.	.	H	α-helix	trans	-64	-44.8	176.4	-65.5	163.5	0	0	0	110.1	R965 E966 E967 L971 G972	R965-I969 WeakPolarHBondContact O-CG1 3.3Å; R965-I969 PolarHBondContact O-N 3.27Å; R965-I969 VanDerWaalsContact O-N 3.09Å; E966-I969 WeakPolarHBondContact O-CB 3.49Å; E966-I969 PolarHBondContact O-N 3.15Å; E966-I969 VanDerWaalsContact O-N 3.16Å; E967-I969 VanDerWaalsContact C-N 3.3Å; E967-I969 PolarHBondContact O-N 3.31Å; I969-L971 PolarHBondContact O-N 3.01Å; I969-G972 PolarHBondContact O-N 3.24Å
970	H	94	Very high	93.1	Very high	161 Å²	161	72 Å²	72	75%	0.745	37%	0.366	S	S	*	.	H	α-helix	trans	-61.3	-30.5	176.5	-73.1	-58.2	0	0	0	113.2	E966 E967 G972	E966-H970 PolarHBondContact O-CD2 2.91Å; E966-H970 PolarHBondContact O-N 3.15Å; E967-H970 PolarHBondContact O-N 3.41Å; H970-G972 PolarHBondContact O-N 2.81Å
971	L	92.5	Very high	93.3	Very high	73 Å²	73	66.2 Å²	66.2	38%	0.382	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	2.4	174.9	-67.4	168.6	0	0	0	113.7	L946 T947 E967 L968 I969 L973	L946-L971 HydrophobicContact CB-CD1 3.73Å; L946-L971 HydrophobicContact CB-CD2 4.46Å; L946-L971 HydrophobicContact CD1-CD1 3.98Å; T947-L971 HydrophobicContact CG2-CD1 4.2Å; E967-L971 VanDerWaalsContact O-CG 3.28Å; E967-L971 WeakPolarHBondContact O-CG 3.41Å; E967-L971 PolarHBondContact O-N 3Å; L968-L971 PolarHBondContact O-N 3.33Å; I969-L971 PolarHBondContact O-N 3.01Å; L971-L973 VanDerWaalsContact C-N 3.26Å; L971-L973 HydrophobicContact CB-CD1 4.44Å; L971-L973 PolarHBondContact O-N 2.81Å
972	G	91.9	Very high	93.6	Very high	72 Å²	72	66.3 Å²	66.3	74%	0.742	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	17.8	-178.7	0	0	0	0	0	113.8	L968 I969 H970	L968-G972 PolarHBondContact O-N 3.44Å; I969-G972 PolarHBondContact O-N 3.24Å; H970-G972 PolarHBondContact O-N 2.81Å
973	L	91.4	Very high	93.7	Very high	49 Å²	49	64.4 Å²	64.4	26%	0.257	32%	0.324	S	S	.	.	S	Bend	trans	-101.5	163.6	178.2	-67.3	172	0	0	0	110.9	L946 L968 L971 Y975	L946-L973 HydrophobicContact CD1-CD1 3.25Å; L968-L973 HydrophobicContact CD2-CB 4.22Å; L968-L973 HydrophobicContact CD2-CD1 4.09Å; L968-L973 PolarHBondContact O-N 2.99Å; L971-L973 VanDerWaalsContact C-N 3.26Å; L971-L973 HydrophobicContact CB-CD1 4.44Å; L971-L973 PolarHBondContact O-N 2.81Å; L973-Y975 PolarHBondContact O-N 2.8Å
974	N	93.1	Very high	93.8	Very high	55 Å²	55	61.5 Å²	61.5	29%	0.294	31%	0.314	S	S	.	.			trans	-63.6	131.5	173.7	-169.7	-24.9	0	0	0	109.9	H976 G977 K978	N974-H976 PolarHBondContact O-N 2.78Å; N974-H976 VanDerWaalsContact O-N 3.13Å; N974-H976 PolarHBondContact OD1-N 2.88Å; N974-G977 WeakPolarHBondContact O-CA 3.42Å; N974-G977 PolarHBondContact O-N 2.84Å; N974-K978 VanDerWaalsContact CB-O 3.25Å; N974-K978 WeakPolarHBondContact CB-O 3.46Å
975	Y	92.8	Very high	93.9	Very high	114 Å²	114	66.9 Å²	66.9	45%	0.447	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-25.6	175.4	65.9	-83.4	0	0	0	113	R965 L973 G977	R965-Y975 WeakPolarHBondContact CG-O 3.49Å; L973-Y975 PolarHBondContact O-N 2.8Å; Y975-G977 VanDerWaalsContact C-N 3.32Å
976	H	91.5	Very high	94	Very high	80 Å²	80	65.6 Å²	65.6	37%	0.37	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	0.1	172	-72.9	-55.2	0	0	0	114.4	N974 K978 Y995	N974-H976 PolarHBondContact O-N 2.78Å; N974-H976 VanDerWaalsContact O-N 3.13Å; N974-H976 PolarHBondContact OD1-N 2.88Å; H976-K978 HydrophobicContact CB-CG 4.33Å; H976-K978 PolarHBondContact O-N 3.5Å; H976-Y995 WeakPolarHBondContact O-CE2 3.28Å
977	G	90.6	Very high	93.9	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	35%	0.347	C	S	.	.			trans	66.3	2.1	-176.4	0	0	0	0	0	115.9	K942 N974 Y975	K942-G977 PolarHBondContact NZ-O 2.73Å; N974-G977 WeakPolarHBondContact O-CA 3.42Å; N974-G977 PolarHBondContact O-N 2.84Å; Y975-G977 VanDerWaalsContact C-N 3.32Å
978	K	94.9	Very high	94.1	Very high	96 Å²	96	66.3 Å²	66.3	42%	0.417	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	138.6	176.5	-61.4	-175.7	178.2	-172.7	0	111.2	N974 H976 I994 Y995	N974-K978 VanDerWaalsContact CB-O 3.25Å; N974-K978 WeakPolarHBondContact CB-O 3.46Å; H976-K978 HydrophobicContact CB-CG 4.33Å; H976-K978 PolarHBondContact O-N 3.5Å; K978-I994 CarbonylContact C-O 3.57Å; K978-I994 VanDerWaalsContact CA-O 3.31Å; K978-I994 WeakPolarHBondContact CA-O 3.39Å; K978-Y995 HydrophobicContact CG-CD2 3.89Å
979	E	94.2	Very high	94.2	Very high	33 Å²	33	69.9 Å²	69.9	15%	0.154	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	156	178	-70.3	-179.1	-154.8	0	0	111.1	N911 K942 L981 Y993 I994	N911-E979 WeakPolarHBondContact CB-OE2 3.38Å; N911-E979 PolarHBondContact ND2-OE2 3.32Å; K942-E979 WeakPolarHBondContact CE-OE1 3.14Å; K942-E979 IonicContact NZ-OE1 2.85Å; K942-E979 PolarHBondContact NZ-OE1 2.98Å; E979-L981 HydrophobicContact CB-CD2 4.48Å; E979-Y993 CarbonylContact O-C 3.45Å; E979-Y993 WeakPolarHBondContact O-CA 3.47Å; E979-I994 PolarHBondContact N-O 2.84Å; E979-I994 PolarHBondContact O-N 3.41Å
980	M	94.9	Very high	94.2	Very high	103 Å²	103	67.1 Å²	67.1	51%	0.507	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-83.2	117	169	-173.2	171.6	178	0	0	108.1	P989 Y993	M980-P989 HydrophobicContact CE-CB 3.25Å; M980-P989 HydrophobicContact CE-CG 3.91Å; M980-Y993 HydrophobicContact CB-CD1 4.01Å; M980-Y993 HydrophobicContact CB-CE1 4.06Å
981	L	96.2	Very high	94.2	Very high	0 Å²	0	66 Å²	66	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	147.1	174.2	-55.8	-176	0	0	0	110.1	A731 P909 F910 N911 E979 L990 I994 F996	A731-L981 HydrophobicContact CB-CD1 4.46Å; P909-L981 HydrophobicContact CB-CB 4.1Å; P909-L981 HydrophobicContact CB-CD1 4.15Å; P909-L981 HydrophobicContact CG-CD1 4.3Å; F910-L981 CarbonylContact O-C 3.54Å; F910-L981 WeakPolarHBondContact O-CA 3.44Å; N911-L981 HydrophobicContact CB-CD2 3.51Å; E979-L981 HydrophobicContact CB-CD2 4.48Å; L981-L990 HydrophobicContact CB-CD1 4.08Å; L981-L990 WeakPolarHBondContact O-CB 3.19Å; L981-L990 WeakPolarHBondContact O-CG 3.39Å; L981-L990 PolarHBondContact O-N 3.42Å; L981-I994 HydrophobicContact CB-CG1 4.37Å; L981-I994 HydrophobicContact CD1-CB 3.67Å; L981-I994 HydrophobicContact CD1-CG1 3.9Å; L981-I994 HydrophobicContact CD1-CG2 3.74Å; L981-I994 HydrophobicContact CG-CB 3.95Å; L981-I994 HydrophobicContact CG-CG1 4.1Å; L981-F996 HydrophobicContact CD1-CD2 4.24Å
982	T	96.9	Very high	94.3	Very high	31 Å²	31	65.3 Å²	65.3	19%	0.19	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	135.3	172.2	-57.1	0	0	0	0	109.1	P909 F910 G984 G987	P909-T982 CarbonylContact C-O 3.57Å; P909-T982 WeakPolarHBondContact CA-O 3.37Å; P909-T982 WeakPolarHBondContact CB-O 3.24Å; F910-T982 HydrophobicContact CE1-CG2 4Å; F910-T982 HydrophobicContact CE2-CG2 4.36Å; F910-T982 HydrophobicContact CZ-CG2 3.69Å; F910-T982 PolarHBondContact N-O 3.38Å; F910-T982 PolarHBondContact O-N 2.99Å; T982-G984 PolarHBondContact O-N 3.28Å; T982-G987 WeakPolarHBondContact CG2-O 3.43Å
983	S	96.2	Very high	94.5	Very high	17 Å²	17	69 Å²	69	12%	0.119	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-65.9	125.7	176.6	174.7	0	0	0	0	110.4	I985 T986 G987 M988	S983-I985 VanDerWaalsContact C-N 3.28Å; S983-I985 PolarHBondContact O-N 3.1Å; S983-I985 PolarHBondContact OG-N 2.95Å; S983-T986 WeakPolarHBondContact CB-OG1 3.44Å; S983-T986 PolarHBondContact OG-N 3.37Å; S983-T986 PolarHBondContact OG-OG1 2.92Å; S983-G987 VanDerWaalsContact O-CA 3.26Å; S983-G987 WeakPolarHBondContact O-CA 3.44Å; S983-G987 PolarHBondContact O-N 3.25Å; S983-M988 WeakPolarHBondContact CB-O 3.03Å; S983-M988 PolarHBondContact N-O 3.46Å
984	G	94.8	Very high	94.7	Very high	23 Å²	23	67.3 Å²	67.3	24%	0.237	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-32.2	173.7	0	0	0	0	0	113.1	E906 T982	E906-G984 CarbonylContact O-C 3.57Å; E906-G984 WeakPolarHBondContact O-CA 3.45Å; T982-G984 PolarHBondContact O-N 3.28Å
985	I	95.1	Very high	94.9	Very high	113 Å²	113	66.1 Å²	66.1	58%	0.579	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-47	-179	-57.7	170.1	0	0	0	112.2	Y735 D907 S983	Y735-I985 HydrophobicContact CE2-CD1 4.34Å; Y735-I985 WeakPolarHBondContact OH-CD1 3.45Å; D907-I985 HydrophobicContact CB-CG1 4.39Å; S983-I985 VanDerWaalsContact C-N 3.28Å; S983-I985 PolarHBondContact O-N 3.1Å; S983-I985 PolarHBondContact OG-N 2.95Å
986	T	95.7	Very high	95	Very high	89 Å²	89	60.8 Å²	60.8	55%	0.546	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-16.1	-171.2	59.3	0	0	0	0	113.6	S983 M988	S983-T986 WeakPolarHBondContact CB-OG1 3.44Å; S983-T986 PolarHBondContact OG-N 3.37Å; S983-T986 PolarHBondContact OG-OG1 2.92Å; T986-M988 PolarHBondContact O-N 2.89Å; T986-M988 PolarHBondContact OG1-N 3.39Å
987	G	94.1	Very high	95.1	Very high	52 Å²	52	57.1 Å²	57.1	54%	0.536	33%	0.328	S	S	.	.			trans	69.6	-0.5	-170.5	0	0	0	0	0	114.3	T982 S983	T982-G987 WeakPolarHBondContact CG2-O 3.43Å; S983-G987 VanDerWaalsContact O-CA 3.26Å; S983-G987 WeakPolarHBondContact O-CA 3.44Å; S983-G987 PolarHBondContact O-N 3.25Å
988	M	95.9	Very high	95.4	Very high	130 Å²	130	58.2 Å²	58.2	64%	0.64	34%	0.335	S	S	*	.	S	Bend	trans	-88.6	147.6	179.3	-64	-173.3	-178.7	0	0	111.1	S983 T986	S983-M988 WeakPolarHBondContact CB-O 3.03Å; S983-M988 PolarHBondContact N-O 3.46Å; T986-M988 PolarHBondContact O-N 2.89Å; T986-M988 PolarHBondContact OG1-N 3.39Å
989	P	95.7	Very high	95.5	Very high	75 Å²	75	53.8 Å²	53.8	49%	0.487	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-62.4	141.8	172.1	27.5	-34.3	0	0	0	111.4	M980	M980-P989 HydrophobicContact CE-CB 3.25Å; M980-P989 HydrophobicContact CE-CG 3.91Å
990	L	95.1	Very high	95.6	Very high	44 Å²	44	52.6 Å²	52.6	23%	0.23	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-66.9	143.7	172.7	-61.9	179.9	0	0	0	110.1	M733 P909 L981 A992 I994	M733-L990 HydrophobicContact CE-CD1 3.65Å; M733-L990 HydrophobicContact SD-CD1 4.1Å; P909-L990 HydrophobicContact CB-CD1 4.38Å; L981-L990 HydrophobicContact CB-CD1 4.08Å; L981-L990 WeakPolarHBondContact O-CB 3.19Å; L981-L990 WeakPolarHBondContact O-CG 3.39Å; L981-L990 PolarHBondContact O-N 3.42Å; L990-A992 PolarHBondContact O-N 2.83Å; L990-I994 HydrophobicContact CD1-CD1 4.11Å; L990-I994 HydrophobicContact CD1-CG1 3.78Å
991	S	94.4	Very high	95.7	Very high	138 Å²	138	48 Å²	48	97%	0.965	29%	0.288	S	S	*	.	S	Bend	trans	-67.2	-23.8	-178.5	55.3	0	0	0	0	113.7
992	A	95.2	Very high	95.7	Very high	57 Å²	57	48.2 Å²	48.2	47%	0.471	29%	0.288	S	S	.	.	S	Bend	trans	-116.1	145.7	179.3	0	0	0	0	0	111.4	L990	L990-A992 PolarHBondContact O-N 2.83Å
993	Y	95.9	Very high	95.7	Very high	149 Å²	149	47 Å²	47	58%	0.584	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-70	133.6	170.2	-56.4	-71.7	0	0	0	110.9	E979 M980	E979-Y993 CarbonylContact O-C 3.45Å; E979-Y993 WeakPolarHBondContact O-CA 3.47Å; M980-Y993 HydrophobicContact CB-CD1 4.01Å; M980-Y993 HydrophobicContact CB-CE1 4.06Å
994	I	96.6	Very high	95.6	Very high	14 Å²	14	46.4 Å²	46.4	7%	0.072	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	137.1	-175.8	-54.8	-49	0	0	0	109.7	A731 M733 K978 E979 L981 L990 F996	A731-I994 HydrophobicContact CB-CG2 4.04Å; M733-I994 HydrophobicContact CB-CD1 3.87Å; M733-I994 HydrophobicContact CB-CG1 4.49Å; M733-I994 HydrophobicContact CB-CG2 4.1Å; M733-I994 HydrophobicContact CG-CG2 4.43Å; M733-I994 HydrophobicContact SD-CD1 4.45Å; M733-I994 HydrophobicContact SD-CG1 4.32Å; M733-I994 HydrophobicContact SD-CG2 4.38Å; K978-I994 CarbonylContact C-O 3.57Å; K978-I994 VanDerWaalsContact CA-O 3.31Å; K978-I994 WeakPolarHBondContact CA-O 3.39Å; E979-I994 PolarHBondContact N-O 2.84Å; E979-I994 PolarHBondContact O-N 3.41Å; L981-I994 HydrophobicContact CB-CG1 4.37Å; L981-I994 HydrophobicContact CD1-CB 3.67Å; L981-I994 HydrophobicContact CD1-CG1 3.9Å; L981-I994 HydrophobicContact CD1-CG2 3.74Å; L981-I994 HydrophobicContact CG-CB 3.95Å; L981-I994 HydrophobicContact CG-CG1 4.1Å; L990-I994 HydrophobicContact CD1-CD1 4.11Å; L990-I994 HydrophobicContact CD1-CG1 3.78Å; I994-F996 PolarHBondContact O-N 3.1Å
995	Y	95.6	Very high	95.6	Very high	30 Å²	30	48.2 Å²	48.2	12%	0.118	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	117.1	174.2	-161.4	-114	0	0	0	109.1	V732 L935 L938 L939 H976 K978	V732-Y995 HydrophobicContact CG2-CD1 4.18Å; V732-Y995 PolarHBondContact N-O 2.85Å; L935-Y995 VanDerWaalsContact C-OH 3.3Å; L935-Y995 HydrophobicContact CB-CE1 4.12Å; L935-Y995 HydrophobicContact CD2-CD1 4.01Å; L935-Y995 HydrophobicContact CD2-CE1 3.69Å; L935-Y995 PolarHBondContact O-OH 2.9Å; L938-Y995 HydrophobicContact CB-CD1 4.47Å; L938-Y995 HydrophobicContact CB-CE1 3.75Å; L938-Y995 HydrophobicContact CD1-CD1 3.51Å; L938-Y995 HydrophobicContact CD1-CE1 3.67Å; L938-Y995 HydrophobicContact CD2-CD1 3.8Å; L938-Y995 HydrophobicContact CD2-CE1 3.51Å; L938-Y995 HydrophobicContact CD2-CE2 4.42Å; L938-Y995 HydrophobicContact CD2-CG 4.37Å; L938-Y995 HydrophobicContact CG-CD1 4.12Å; L938-Y995 HydrophobicContact CG-CE1 3.83Å; L939-Y995 WeakPolarHBondContact CD1-OH 3.37Å; L939-Y995 HydrophobicContact CD2-CE2 3.82Å; L939-Y995 HydrophobicContact CG-CE2 4.29Å; L939-Y995 WeakPolarHBondContact CG-OH 3.48Å; H976-Y995 WeakPolarHBondContact O-CE2 3.28Å; K978-Y995 HydrophobicContact CG-CD2 3.89Å
996	F	95.1	Very high	95.4	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.009	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	125.1	-164.2	-170.9	-104.2	0	0	0	111.3	T729 V730 A731 M915 P917 K942 L981 I994	T729-F996 HydrophobicContact CG2-CE1 3.82Å; T729-F996 HydrophobicContact CG2-CE2 3.79Å; T729-F996 HydrophobicContact CG2-CZ 3.35Å; V730-F996 WeakPolarHBondContact O-CA 3.34Å; A731-F996 HydrophobicContact CB-CD2 3.94Å; A731-F996 HydrophobicContact CB-CE2 4.35Å; M915-F996 HydrophobicContact CB-CE1 4.11Å; M915-F996 HydrophobicContact CB-CZ 4.08Å; M915-F996 HydrophobicContact CE-CE1 3.79Å; M915-F996 HydrophobicContact CE-CZ 4.33Å; M915-F996 HydrophobicContact SD-CE1 4.47Å; P917-F996 HydrophobicContact CB-CE2 4.05Å; K942-F996 PolarHBondContact NZ-O 3.21Å; L981-F996 HydrophobicContact CD1-CD2 4.24Å; I994-F996 PolarHBondContact O-N 3.1Å
997	G	95	Very high	95.3	Very high	3 Å²	3	41.8 Å²	41.8	3%	0.031	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.3	176.8	179.5	0	0	0	0	0	114.1	V730	V730-G997 PolarHBondContact N-O 3.23Å; V730-G997 PolarHBondContact O-N 2.74Å
998	P	96.4	Very high	95.3	Very high	23 Å²	23	41.7 Å²	41.7	15%	0.149	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	132.6	-176.9	31.7	-34.2	0	0	0	111.8	A728 G941 V945	A728-P998 WeakPolarHBondContact O-CA 3.3Å; G941-P998 VanDerWaalsContact C-CG 3.4Å; V945-P998 HydrophobicContact CG2-CG 3.99Å
999	I	96.9	Very high	95.1	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.015	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	141.7	170.4	-63.2	179.9	0	0	0	108.7	A728 V730 K934 L938 Y1001	A728-I999 PolarHBondContact N-O 3.35Å; A728-I999 PolarHBondContact O-N 3.16Å; V730-I999 HydrophobicContact CB-CD1 4.14Å; V730-I999 HydrophobicContact CB-CG1 4.38Å; V730-I999 HydrophobicContact CG1-CD1 4.28Å; V730-I999 HydrophobicContact CG2-CB 3.9Å; V730-I999 HydrophobicContact CG2-CD1 4.22Å; V730-I999 HydrophobicContact CG2-CG1 4.22Å; K934-I999 HydrophobicContact CG-CD1 4.05Å; L938-I999 HydrophobicContact CB-CD1 4.09Å; L938-I999 HydrophobicContact CB-CG1 3.91Å; L938-I999 HydrophobicContact CD1-CD1 3.83Å; L938-I999 HydrophobicContact CD1-CG1 4.07Å; L938-I999 HydrophobicContact CG-CD1 4.43Å; L938-I999 HydrophobicContact CG-CG1 4.23Å; I999-Y1001 HydrophobicContact CB-CD2 4.31Å; I999-Y1001 HydrophobicContact CB-CE2 4.14Å; I999-Y1001 HydrophobicContact CG2-CD2 3.96Å; I999-Y1001 HydrophobicContact CG2-CE2 3.78Å; I999-Y1001 PolarHBondContact O-N 2.87Å
1000	Y	96.9	Very high	94.9	Very high	9 Å²	9	35.9 Å²	35.9	4%	0.035	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	115.2	176.7	-169.9	-93.9	0	0	0	112	Q705 P707 A724 G725 N727 R892 Q1002	Q705-Y1000 VanDerWaalsContact O-CE2 3.32Å; Q705-Y1000 WeakPolarHBondContact O-CE2 3.35Å; Q705-Y1000 PolarHBondContact O-OH 3.35Å; P707-Y1000 HydrophobicContact CB-CD2 3.89Å; P707-Y1000 HydrophobicContact CB-CE2 4.15Å; P707-Y1000 HydrophobicContact CB-CG 4.13Å; A724-Y1000 PolarHBondContact N-OH 3.28Å; G725-Y1000 VanDerWaalsContact CA-CZ 3.47Å; G725-Y1000 VanDerWaalsContact CA-OH 3.26Å; G725-Y1000 WeakPolarHBondContact CA-OH 3.35Å; G725-Y1000 PolarHBondContact N-OH 3.45Å; N727-Y1000 WeakPolarHBondContact OD1-CD2 3.47Å; R892-Y1000 VanDerWaalsContact CD-CD1 3.45Å; R892-Y1000 HydrophobicContact CG-CD1 3.99Å; Y1000-Q1002 HydrophobicContact CD1-CG 4.18Å; Y1000-Q1002 HydrophobicContact CE1-CG 3.84Å
1001	Y	96.8	Very high	94.6	Very high	6 Å²	6	39.1 Å²	39.1	2%	0.024	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	144	176.9	-91	-97.1	0	0	0	112	G725 T726 A728 V730 F889 S890 L919 K934 I999	G725-Y1001 VanDerWaalsContact CA-O 3.29Å; G725-Y1001 WeakPolarHBondContact CA-O 3.43Å; T726-Y1001 PolarHBondContact N-O 3.23Å; T726-Y1001 PolarHBondContact O-N 3.43Å; A728-Y1001 HydrophobicContact CB-CD2 4.13Å; V730-Y1001 HydrophobicContact CG2-CD2 4.23Å; V730-Y1001 HydrophobicContact CG2-CE2 3.7Å; F889-Y1001 HydrophobicContact CB-CD1 4.19Å; S890-Y1001 WeakPolarHBondContact O-CD1 3.43Å; L919-Y1001 HydrophobicContact CD1-CD1 3.91Å; L919-Y1001 HydrophobicContact CD1-CD2 4.32Å; L919-Y1001 HydrophobicContact CD1-CE1 3.71Å; L919-Y1001 HydrophobicContact CD1-CE2 4.14Å; L919-Y1001 HydrophobicContact CD1-CG 4.19Å; L919-Y1001 HydrophobicContact CD2-CE1 4.41Å; L919-Y1001 HydrophobicContact CD2-CE2 4.15Å; K934-Y1001 PolarHBondContact NZ-OH 2.99Å; I999-Y1001 HydrophobicContact CB-CD2 4.31Å; I999-Y1001 HydrophobicContact CB-CE2 4.14Å; I999-Y1001 HydrophobicContact CG2-CD2 3.96Å; I999-Y1001 HydrophobicContact CG2-CE2 3.78Å; I999-Y1001 PolarHBondContact O-N 2.87Å
1002	Q	95.6	Very high	94.3	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.019	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.7	178.8	-64.4	176.1	-25.5	0	0	109.5	Q675 A682 F889 S890 Y1000	Q675-Q1002 VanDerWaalsContact NE2-OE1 3.1Å; A682-Q1002 HydrophobicContact CB-CB 3.91Å; A682-Q1002 HydrophobicContact CB-CG 4.28Å; F889-Q1002 CarbonylContact C-O 3.38Å; F889-Q1002 WeakPolarHBondContact CA-O 3.23Å; S890-Q1002 PolarHBondContact N-O 3.17Å; S890-Q1002 PolarHBondContact O-N 2.92Å; Y1000-Q1002 HydrophobicContact CD1-CG 4.18Å; Y1000-Q1002 HydrophobicContact CE1-CG 3.84Å
1003	K	96	Very high	94	Very high	5 Å²	5	38.6 Å²	38.6	2%	0.022	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	129	171.3	-169.8	174.2	-175.6	178	0	109.5	M683 L701 G756 C758 D887 F889	M683-K1003 PolarHBondContact N-O 3.28Å; L701-K1003 HydrophobicContact CD2-CB 4.28Å; G756-K1003 VanDerWaalsContact O-CD 3.26Å; G756-K1003 WeakPolarHBondContact O-CD 3.47Å; G756-K1003 PolarHBondContact O-NZ 3.36Å; C758-K1003 PolarHBondContact SG-NZ 2.88Å; D887-K1003 VanDerWaalsContact OD2-CE 3.24Å; D887-K1003 WeakPolarHBondContact OD2-CE 3.33Å; D887-K1003 IonicContact OD2-NZ 3.66Å; D887-K1003 PolarHBondContact OD2-NZ 3.2Å; F889-K1003 HydrophobicContact CD1-CB 4.24Å; F889-K1003 HydrophobicContact CD1-CG 4.45Å; F889-K1003 HydrophobicContact CE1-CB 4.03Å; F889-K1003 HydrophobicContact CE1-CD 4.33Å; F889-K1003 HydrophobicContact CE1-CG 4.06Å; F889-K1003 HydrophobicContact CZ-CD 4.26Å; F889-K1003 HydrophobicContact CZ-CG 4.26Å
1004	L	95.6	Very high	93.7	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.031	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-93.4	154.3	-176.4	-57.1	-176.3	0	0	0	111.9	M678 Q681 A682 M683 K888 H1006	M678-L1004 HydrophobicContact CB-CD2 4.4Å; Q681-L1004 HydrophobicContact CB-CD2 4.48Å; A682-L1004 HydrophobicContact CB-CD2 4.44Å; M683-L1004 WeakPolarHBondContact CE-O 3.38Å; K888-L1004 HydrophobicContact CB-CB 4.13Å; K888-L1004 HydrophobicContact CB-CD1 4.2Å; K888-L1004 PolarHBondContact O-N 2.76Å; L1004-H1006 PolarHBondContact O-N 3.4Å; L1004-H1006 VanDerWaalsContact O-N 3.09Å
1005	K	93.8	Very high	93.3	Very high	61 Å²	61	38.4 Å²	38.4	27%	0.265	20%	0.199	S	C	.	.	S	Bend	trans	-57.1	-24.9	-178.7	72.3	179.9	179.6	-177.3	0	116.4	L432 Q681 Y699 M1007	L432-K1005 HydrophobicContact CD1-CD 3.84Å; L432-K1005 HydrophobicContact CD2-CD 4.31Å; Q681-K1005 HydrophobicContact CB-CG 4.49Å; Q681-K1005 PolarHBondContact O-N 2.91Å; Q681-K1005 VanDerWaalsContact O-N 3.12Å; Y699-K1005 HydrophobicContact CD2-CB 4.35Å; Y699-K1005 HydrophobicContact CE2-CB 4Å; K1005-M1007 PolarHBondContact O-N 3.4Å; K1005-M1007 VanDerWaalsContact O-N 3.11Å
1006	H	91.7	Very high	93	Very high	63 Å²	63	42.9 Å²	42.9	29%	0.292	24%	0.235	S	C	.	.			trans	-84.5	85.5	-171.5	-72.2	-57.8	0	0	0	111.6	K888 L1004	K888-H1006 HydrophobicContact CD-CB 4.13Å; L1004-H1006 PolarHBondContact O-N 3.4Å; L1004-H1006 VanDerWaalsContact O-N 3.09Å
1007	M	94	Very high	92.7	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.015	28%	0.275	C	S	.	.			trans	-89.4	154.1	174.4	-63.9	167.9	-75.3	0	0	112.3	M683 Y699 V760 D887 K1005 D1010	M683-M1007 HydrophobicContact CE-CE 3.48Å; M683-M1007 VanDerWaalsContact CE-CE 3.48Å; M683-M1007 HydrophobicContact CE-CG 4.08Å; M683-M1007 HydrophobicContact CE-SD 3.74Å; Y699-M1007 HydrophobicContact CD1-CE 4.13Å; Y699-M1007 HydrophobicContact CE1-CE 3.48Å; Y699-M1007 VanDerWaalsContact CE1-CE 3.48Å; V760-M1007 HydrophobicContact CG2-CE 3.89Å; D887-M1007 VanDerWaalsContact OD1-CA 3.24Å; D887-M1007 WeakPolarHBondContact OD1-CA 3.39Å; D887-M1007 VanDerWaalsContact OD1-CB 3.28Å; D887-M1007 WeakPolarHBondContact OD1-CB 3.34Å; D887-M1007 WeakPolarHBondContact OD1-CG 3.21Å; K1005-M1007 PolarHBondContact O-N 3.4Å; K1005-M1007 VanDerWaalsContact O-N 3.11Å; M1007-D1010 WeakPolarHBondContact CE-OD2 3.15Å; M1007-D1010 PolarHBondContact O-N 2.87Å
1008	V	94	Very high	92.5	Very high	51 Å²	51	53.2 Å²	53.2	31%	0.309	29%	0.287	S	S	.	.	S	Bend	trans	-67	-42.1	-179.1	-177.7	0	0	0	0	112.1	L885 G886 D887 D1010 K1011 L1012	L885-V1008 WeakPolarHBondContact O-CG2 3.41Å; G886-V1008 VanDerWaalsContact O-CG2 3.24Å; G886-V1008 WeakPolarHBondContact O-CG2 3.46Å; D887-V1008 PolarHBondContact OD1-N 2.82Å; V1008-D1010 PolarHBondContact O-N 2.9Å; V1008-D1010 VanDerWaalsContact O-N 3.1Å; V1008-K1011 CarbonylContact O-C 3.56Å; V1008-K1011 WeakPolarHBondContact O-CA 3.31Å; V1008-K1011 PolarHBondContact O-N 2.77Å; V1008-L1012 PolarHBondContact O-N 3.26Å
1009	M	92	Very high	92.2	Very high	55 Å²	55	55 Å²	55	27%	0.271	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-33.8	175.3	-167.9	-179.2	-67.8	0	0	113.5	P853 E884 K1011 R1031	P853-M1009 HydrophobicContact CB-CG 4Å; P853-M1009 HydrophobicContact CG-CG 3.8Å; P853-M1009 HydrophobicContact CG-SD 4.29Å; E884-M1009 PolarHBondContact OE1-N 3Å; M1009-K1011 VanDerWaalsContact C-N 3.34Å; M1009-R1031 PolarHBondContact O-NH2 2.7Å
1010	D	89.8	Confident	92	Very high	28 Å²	28	60.6 Å²	60.6	15%	0.15	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	0.8	176.9	-73.4	-27.3	0	0	0	113.9	R762 R881 M1007 V1008 R1031	R762-D1010 IonicContact CZ-OD1 3.69Å; R762-D1010 IonicContact NH2-OD1 2.84Å; R762-D1010 PolarHBondContact NH2-OD1 2.81Å; R762-D1010 IonicContact NH2-OD2 2.94Å; R762-D1010 PolarHBondContact NH2-OD2 3.25Å; R881-D1010 IonicContact CZ-OD1 3.22Å; R881-D1010 IonicContact CZ-OD2 2.8Å; R881-D1010 IonicContact NH1-OD1 2.8Å; R881-D1010 PolarHBondContact NH1-OD1 3.14Å; R881-D1010 IonicContact NH1-OD2 3.55Å; R881-D1010 PolarHBondContact NH1-OD2 3.1Å; R881-D1010 IonicContact NH2-OD1 3.93Å; R881-D1010 PolarHBondContact NH2-OD1 3.02Å; R881-D1010 IonicContact NH2-OD2 3.47Å; M1007-D1010 WeakPolarHBondContact CE-OD2 3.15Å; M1007-D1010 PolarHBondContact O-N 2.87Å; V1008-D1010 PolarHBondContact O-N 2.9Å; V1008-D1010 VanDerWaalsContact O-N 3.1Å; D1010-R1031 PolarHBondContact O-NH1 2.89Å
1011	K	89.7	Confident	91.7	Very high	112 Å²	112	64.8 Å²	64.8	49%	0.487	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-24.7	178.8	-70.9	-167.5	173.6	-163.5	0	114.1	V1008 M1009 H1013	V1008-K1011 CarbonylContact O-C 3.56Å; V1008-K1011 WeakPolarHBondContact O-CA 3.31Å; V1008-K1011 PolarHBondContact O-N 2.77Å; M1009-K1011 VanDerWaalsContact C-N 3.34Å; K1011-H1013 PolarHBondContact O-N 2.86Å; K1011-H1013 VanDerWaalsContact O-N 3.11Å
1012	L	88.3	Confident	91.5	Very high	128 Å²	128	72.3 Å²	72.3	67%	0.67	38%	0.378	S	S	*	.			trans	-54.5	118.1	177.4	-174.9	68.9	0	0	0	110.3	V1008 R1031	V1008-L1012 PolarHBondContact O-N 3.26Å; L1012-R1031 PolarHBondContact O-NE 2.9Å; L1012-R1031 PolarHBondContact O-NH2 3.27Å
1013	H	89.4	Confident	91.4	Very high	56 Å²	56	79.3 Å²	79.3	26%	0.259	42%	0.415	S	S	.	.			trans	-140.7	130.5	-178.5	-179	55.8	0	0	0	109.2	K1011 R1031 G1035	K1011-H1013 PolarHBondContact O-N 2.86Å; K1011-H1013 VanDerWaalsContact O-N 3.11Å; H1013-R1031 HydrophobicContact CB-CG 4.35Å; H1013-G1035 PolarHBondContact CE1-O 3.35Å; H1013-G1035 VanDerWaalsContact CE1-O 3.27Å; H1013-G1035 PolarHBondContact NE2-O 2.87Å
1014	A	88.9	Confident	91.3	Very high	92 Å²	92	81.6 Å²	81.6	76%	0.76	43%	0.429	S	S	*	.			trans	-144.6	145.3	179.1	0	0	0	0	0	109.3
1015	R	87.9	Confident	91.1	Very high	67 Å²	67	88.1 Å²	88.1	25%	0.253	45%	0.453	S	S	.	.			trans	-141.8	127.7	176	179.3	-174.4	172.9	126.4	-3.1	109	G1018 P1019 T1028 E1034	R1015-G1018 PolarHBondContact NH2-O 3.47Å; R1015-P1019 PolarHBondContact NH1-O 2.88Å; R1015-P1019 PolarHBondContact NH2-O 3.43Å; R1015-T1028 PolarHBondContact NH1-OG1 2.97Å; R1015-T1028 VanDerWaalsContact NH1-OG1 3.16Å; R1015-E1034 WeakPolarHBondContact CD-O 3.14Å; R1015-E1034 PolarHBondContact NH1-O 2.87Å
1016	S	90.5	Very high	91	Very high	123 Å²	123	89.2 Å²	89.2	86%	0.86	46%	0.459	S	S	*	.	S	Bend	trans	-95.8	-70.8	169.4	55.1	0	0	0	0	110
1017	K	88.8	Confident	91.1	Very high	196 Å²	196	88 Å²	88	85%	0.852	46%	0.457	S	S	*	.	S	Bend	trans	-128.5	155.3	165.8	-66.4	-179.1	-178.3	177.3	0	107.4
1018	G	89.2	Confident	91.1	Very high	27 Å²	27	89 Å²	89	28%	0.278	46%	0.463	S	S	.	.			trans	-167.2	-177.3	-175.5	0	0	0	0	0	112.3	R1015	R1015-G1018 PolarHBondContact NH2-O 3.47Å
1019	P	91.1	Very high	90.9	Very high	60 Å²	60	94.4 Å²	94.4	39%	0.39	49%	0.485	S	S	.	.			trans	-58.7	151.1	179.1	25.1	-33	0	0	0	111.2	R1015 T1028 E1034	R1015-P1019 PolarHBondContact NH1-O 2.88Å; R1015-P1019 PolarHBondContact NH2-O 3.43Å; P1019-T1028 HydrophobicContact CB-CG2 4.1Å; P1019-T1028 HydrophobicContact CG-CG2 4.18Å; P1019-T1028 PolarHBondContact O-N 2.81Å; P1019-T1028 PolarHBondContact O-OG1 3.42Å; P1019-E1034 HydrophobicContact CG-CB 4.38Å
1020	R	91.9	Very high	90.6	Very high	121 Å²	121	93.9 Å²	93.9	46%	0.457	49%	0.494	S	S	.	.	B	Isolated β-bridge	trans	-116.2	148.5	176.4	-71.9	171.2	173.1	-143.9	4	109.3	R1025 Q1026 S1064	R1020-R1025 WeakPolarHBondContact CD-O 3.38Å; R1020-R1025 PolarHBondContact NH1-O 3.12Å; R1020-Q1026 CarbonylContact C-O 3.16Å; R1020-Q1026 WeakPolarHBondContact CA-O 3.48Å; R1020-Q1026 WeakPolarHBondContact CB-O 3.39Å; R1020-S1064 PolarHBondContact NH1-O 3.19Å; R1020-S1064 PolarHBondContact NH2-O 3.03Å
1021	E	92	Very high	90.4	Very high	96 Å²	96	97.2 Å²	97.2	45%	0.449	51%	0.505	S	S	.	.			trans	-65	134.9	169.1	-176.9	172.1	-144.9	0	0	109.4	L1023 T1024 R1025 Q1026	E1021-L1023 VanDerWaalsContact C-N 3.3Å; E1021-L1023 HydrophobicContact CG-CB 4.35Å; E1021-L1023 PolarHBondContact O-N 3.36Å; E1021-T1024 PolarHBondContact OE2-OG1 3Å; E1021-R1025 WeakPolarHBondContact O-CA 3.1Å; E1021-R1025 PolarHBondContact O-N 3.26Å; E1021-Q1026 PolarHBondContact N-O 3.29Å
1022	I	92.3	Very high	90	Very high	164 Å²	164	99.9 Å²	99.9	84%	0.841	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-37.7	-174	-62.5	170.9	0	0	0	110.7
1023	L	93.6	Very high	89.9	Confident	152 Å²	152	100.9 Å²	100.9	80%	0.796	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-54.5	-176.9	-177.9	65.4	0	0	0	112	E1021	E1021-L1023 VanDerWaalsContact C-N 3.3Å; E1021-L1023 HydrophobicContact CG-CB 4.35Å; E1021-L1023 PolarHBondContact O-N 3.36Å
1024	T	93.5	Very high	89.6	Confident	52 Å²	52	103.8 Å²	103.8	32%	0.319	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-13.6	-171.3	57	0	0	0	0	113.3	E1021 Q1026	E1021-T1024 PolarHBondContact OE2-OG1 3Å; T1024-Q1026 PolarHBondContact O-N 3.08Å; T1024-Q1026 VanDerWaalsContact O-N 3.1Å; T1024-Q1026 PolarHBondContact OG1-N 3.05Å
1025	R	91.2	Very high	89.6	Confident	143 Å²	143	99.4 Å²	99.4	54%	0.54	50%	0.5	S	S	.	.			trans	56.6	15.9	-169.5	-56.2	-179.4	179	179.8	-0.1	114	R1020 E1021	R1020-R1025 WeakPolarHBondContact CD-O 3.38Å; R1020-R1025 PolarHBondContact NH1-O 3.12Å; E1021-R1025 WeakPolarHBondContact O-CA 3.1Å; E1021-R1025 PolarHBondContact O-N 3.26Å
1026	Q	92.1	Very high	89.6	Confident	85 Å²	85	97.4 Å²	97.4	40%	0.397	50%	0.5	S	S	.	.	S	Bend	trans	-84.8	157.9	176.3	-68.1	179.5	-5.8	0	0	111	R1020 E1021 T1024 T1028 D1065	R1020-Q1026 CarbonylContact C-O 3.16Å; R1020-Q1026 WeakPolarHBondContact CA-O 3.48Å; R1020-Q1026 WeakPolarHBondContact CB-O 3.39Å; E1021-Q1026 PolarHBondContact N-O 3.29Å; T1024-Q1026 PolarHBondContact O-N 3.08Å; T1024-Q1026 VanDerWaalsContact O-N 3.1Å; T1024-Q1026 PolarHBondContact OG1-N 3.05Å; Q1026-T1028 PolarHBondContact O-N 2.87Å; Q1026-D1065 HydrophobicContact CG-CB 4.41Å
1027	P	93.4	Very high	89.7	Confident	38 Å²	38	99 Å²	99	25%	0.247	50%	0.498	C	S	.	.	B	Isolated β-bridge	trans	-47.3	135	167.8	-31.1	38.9	0	0	0	112.8
1028	T	93.3	Very high	89.8	Confident	23 Å²	23	99.4 Å²	99.4	14%	0.141	49%	0.494	C	S	.	.	P	Polyproline II helix	trans	-55.7	156.4	174.4	45.3	0	0	0	0	112.8	R1015 P1019 Q1026 K1033 G1035 G1036	R1015-T1028 PolarHBondContact NH1-OG1 2.97Å; R1015-T1028 VanDerWaalsContact NH1-OG1 3.16Å; P1019-T1028 HydrophobicContact CB-CG2 4.1Å; P1019-T1028 HydrophobicContact CG-CG2 4.18Å; P1019-T1028 PolarHBondContact O-N 2.81Å; P1019-T1028 PolarHBondContact O-OG1 3.42Å; Q1026-T1028 PolarHBondContact O-N 2.87Å; T1028-K1033 PolarHBondContact OG1-O 3.46Å; T1028-G1035 CarbonylContact O-C 3.56Å; T1028-G1035 WeakPolarHBondContact O-CA 3.45Å; T1028-G1036 PolarHBondContact O-N 3.22Å
1029	E	89.9	Confident	90	Very high	164 Å²	164	101.4 Å²	101.4	77%	0.766	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-92.7	144.1	173.3	-62	-172	159.6	0	0	112.6
1030	G	85.9	Confident	90.1	Very high	45 Å²	45	99.3 Å²	99.3	46%	0.464	49%	0.487	S	S	.	.	S	Bend	trans	88.4	145.5	167.9	0	0	0	0	0	115.9	L1032 K1033 G1035	G1030-L1032 PolarHBondContact O-N 3.41Å; G1030-K1033 PolarHBondContact O-N 2.82Å; G1030-K1033 VanDerWaalsContact O-N 3.15Å; G1030-G1035 WeakPolarHBondContact O-CA 3.48Å; G1030-G1035 PolarHBondContact O-N 2.77Å
1031	R	84.8	Confident	90.3	Very high	98 Å²	98	99.8 Å²	99.8	37%	0.37	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-57.1	-41.6	-176.2	-176.6	172.7	-173.7	-126.9	1.5	113.6	M1009 D1010 L1012 H1013 K1033 E1034	M1009-R1031 PolarHBondContact O-NH2 2.7Å; D1010-R1031 PolarHBondContact O-NH1 2.89Å; L1012-R1031 PolarHBondContact O-NE 2.9Å; L1012-R1031 PolarHBondContact O-NH2 3.27Å; H1013-R1031 HydrophobicContact CB-CG 4.35Å; R1031-K1033 PolarHBondContact O-N 3.46Å; R1031-E1034 PolarHBondContact O-N 2.89Å
1032	L	82.6	Confident	90.5	Very high	168 Å²	168	102.5 Å²	102.5	88%	0.88	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-67.3	-22.6	-178.5	-70.4	173	0	0	0	113.8	G1030	G1030-L1032 PolarHBondContact O-N 3.41Å
1033	K	84.5	Confident	90.6	Very high	149 Å²	149	99.3 Å²	99.3	65%	0.648	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-102.6	20.2	178.7	-62.4	-177.1	178.6	177.5	0	112.2	T1028 G1030 R1031 G1035	T1028-K1033 PolarHBondContact OG1-O 3.46Å; G1030-K1033 PolarHBondContact O-N 2.82Å; G1030-K1033 VanDerWaalsContact O-N 3.15Å; R1031-K1033 PolarHBondContact O-N 3.46Å; K1033-G1035 PolarHBondContact O-N 3.44Å
1034	E	84.6	Confident	90.6	Very high	117 Å²	117	96.2 Å²	96.2	55%	0.547	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	36.7	-175.3	-60.4	174	179.8	0	0	112.1	R1015 P1019 R1031	R1015-E1034 WeakPolarHBondContact CD-O 3.14Å; R1015-E1034 PolarHBondContact NH1-O 2.87Å; P1019-E1034 HydrophobicContact CG-CB 4.38Å; R1031-E1034 PolarHBondContact O-N 2.89Å
1035	G	88	Confident	90.8	Very high	0 Å²	0	97.1 Å²	97.1	0%	0	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-67.9	158.8	-170.7	0	0	0	0	0	114.9	H1013 T1028 G1030 K1033	H1013-G1035 PolarHBondContact CE1-O 3.35Å; H1013-G1035 VanDerWaalsContact CE1-O 3.27Å; H1013-G1035 PolarHBondContact NE2-O 2.87Å; T1028-G1035 CarbonylContact O-C 3.56Å; T1028-G1035 WeakPolarHBondContact O-CA 3.45Å; G1030-G1035 WeakPolarHBondContact O-CA 3.48Å; G1030-G1035 PolarHBondContact O-N 2.77Å; K1033-G1035 PolarHBondContact O-N 3.44Å
1036	G	88.6	Confident	91.1	Very high	25 Å²	25	93.8 Å²	93.8	26%	0.258	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-73.7	169.4	173.2	0	0	0	0	0	113.1	T1028	T1028-G1036 PolarHBondContact O-N 3.22Å
1037	L	92.1	Very high	91.2	Very high	155 Å²	155	91.5 Å²	91.5	81%	0.812	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-92.3	142.1	163.5	-65.2	177.4	0	0	0	108.7
1038	R	91.9	Very high	91.4	Very high	206 Å²	206	94.3 Å²	94.3	78%	0.777	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-84.6	128	179.9	-177	174	178.4	173.2	-2.5	109.9
1039	L	92.5	Very high	91.5	Very high	68 Å²	68	98.7 Å²	98.7	36%	0.356	50%	0.501	S	S	.	.			trans	-87.6	112.6	160.6	-169	76.4	0	0	0	107	E1043 L1047 R1059 M1060	L1039-E1043 HydrophobicContact CD1-CB 3.51Å; L1039-E1043 HydrophobicContact CD1-CG 4.2Å; L1039-E1043 HydrophobicContact CG-CB 4.03Å; L1039-L1047 HydrophobicContact CD2-CD1 4.13Å; L1039-R1059 HydrophobicContact CD2-CB 4.04Å; L1039-M1060 HydrophobicContact CD2-CE 4.05Å; L1039-M1060 HydrophobicContact CD2-SD 4.24Å
1040	G	93.1	Very high	91.9	Very high	16 Å²	16	99.9 Å²	99.9	17%	0.165	50%	0.5	C	S	.	.			trans	-84.6	-178	-176.2	0	0	0	0	0	113.2	M1042 E1043 R1044	G1040-M1042 VanDerWaalsContact C-N 3.35Å; G1040-E1043 WeakPolarHBondContact CA-OE2 3.25Å; G1040-E1043 PolarHBondContact N-OE2 3.22Å; G1040-R1044 WeakPolarHBondContact O-CB 3.37Å; G1040-R1044 PolarHBondContact O-N 3.14Å
1041	E	95.7	Very high	92.3	Very high	131 Å²	131	100.4 Å²	100.4	61%	0.612	51%	0.506	S	S	*	.	H	α-helix	trans	-67	-38.1	177.6	-65.2	173.4	-171.6	0	0	111.2	R1044 D1045	E1041-R1044 WeakPolarHBondContact O-CB 3.41Å; E1041-R1044 PolarHBondContact O-N 2.95Å; E1041-D1045 PolarHBondContact O-N 3.28Å
1042	M	96.4	Very high	92.8	Very high	154 Å²	154	98.1 Å²	98.1	76%	0.759	50%	0.503	S	S	*	.	H	α-helix	trans	-65.7	-41.6	177.4	-65	-179.3	70.8	0	0	112	G1040 D1045 C1046	G1040-M1042 VanDerWaalsContact C-N 3.35Å; M1042-D1045 PolarHBondContact O-N 3.15Å; M1042-C1046 PolarHBondContact O-N 2.8Å; M1042-C1046 PolarHBondContact O-SG 2.97Å
1043	E	94.7	Very high	93.4	Very high	97 Å²	97	94.3 Å²	94.3	45%	0.453	49%	0.49	S	S	.	.	H	α-helix	trans	-68.2	-37.4	176.4	-65.1	81.4	-179.6	0	0	111.8	L1039 G1040 D1045 C1046 L1047	L1039-E1043 HydrophobicContact CD1-CB 3.51Å; L1039-E1043 HydrophobicContact CD1-CG 4.2Å; L1039-E1043 HydrophobicContact CG-CB 4.03Å; G1040-E1043 WeakPolarHBondContact CA-OE2 3.25Å; G1040-E1043 PolarHBondContact N-OE2 3.22Å; E1043-D1045 VanDerWaalsContact C-N 3.34Å; E1043-C1046 WeakPolarHBondContact O-CB 3.45Å; E1043-C1046 PolarHBondContact O-N 3.13Å; E1043-L1047 WeakPolarHBondContact O-CG 3.25Å; E1043-L1047 PolarHBondContact O-N 2.85Å; E1043-L1047 VanDerWaalsContact O-N 3.07Å
1044	R	94.6	Very high	94	Very high	87 Å²	87	93.8 Å²	93.8	33%	0.328	49%	0.494	S	S	.	.	H	α-helix	trans	-57.4	-49	171.5	178.3	-158.4	68.2	-160.7	-4.3	110.7	G1040 E1041 C1046 L1047 I1048 L1056 M1060	G1040-R1044 WeakPolarHBondContact O-CB 3.37Å; G1040-R1044 PolarHBondContact O-N 3.14Å; E1041-R1044 WeakPolarHBondContact O-CB 3.41Å; E1041-R1044 PolarHBondContact O-N 2.95Å; R1044-C1046 VanDerWaalsContact C-N 3.26Å; R1044-C1046 PolarHBondContact O-N 3.05Å; R1044-L1047 WeakPolarHBondContact O-CB 3.45Å; R1044-L1047 PolarHBondContact O-N 2.73Å; R1044-L1047 VanDerWaalsContact O-N 3.07Å; R1044-I1048 HydrophobicContact CG-CD1 3.96Å; R1044-I1048 WeakPolarHBondContact O-CG1 3.35Å; R1044-I1048 PolarHBondContact O-N 2.97Å; R1044-L1056 HydrophobicContact CG-CD1 3.83Å; R1044-M1060 HydrophobicContact CB-CE 3.75Å; R1044-M1060 HydrophobicContact CG-CE 3.74Å
1045	D	96.8	Very high	94.5	Very high	71 Å²	71	91 Å²	91	38%	0.38	49%	0.485	S	S	.	.	H	α-helix	trans	-63.9	-34.9	-177.8	-65.1	-9.8	0	0	0	111.2	E1041 M1042 E1043 I1048 C1049	E1041-D1045 PolarHBondContact O-N 3.28Å; M1042-D1045 PolarHBondContact O-N 3.15Å; E1043-D1045 VanDerWaalsContact C-N 3.34Å; D1045-I1048 PolarHBondContact O-N 2.92Å; D1045-C1049 PolarHBondContact O-N 3.18Å; D1045-C1049 PolarHBondContact O-SG 3.43Å
1046	C	96.4	Very high	94.8	Very high	72 Å²	72	92.9 Å²	92.9	49%	0.486	50%	0.495	S	S	.	.	H	α-helix	trans	-60.6	-46.7	170.5	-65.2	0	0	0	0	112.1	M1042 E1043 R1044 I1048 C1049 Y1050	M1042-C1046 PolarHBondContact O-N 2.8Å; M1042-C1046 PolarHBondContact O-SG 2.97Å; E1043-C1046 WeakPolarHBondContact O-CB 3.45Å; E1043-C1046 PolarHBondContact O-N 3.13Å; R1044-C1046 VanDerWaalsContact C-N 3.26Å; R1044-C1046 PolarHBondContact O-N 3.05Å; C1046-I1048 VanDerWaalsContact C-N 3.32Å; C1046-I1048 PolarHBondContact O-N 3.42Å; C1046-C1049 WeakPolarHBondContact O-CB 3.36Å; C1046-C1049 PolarHBondContact O-N 2.99Å; C1046-Y1050 WeakPolarHBondContact O-CD2 3.46Å; C1046-Y1050 PolarHBondContact O-N 3.19Å; C1046-Y1050 VanDerWaalsContact O-N 3.13Å
1047	L	95.7	Very high	95.1	Very high	37 Å²	37	97.2 Å²	97.2	19%	0.194	50%	0.504	C	S	.	.	H	α-helix	trans	-64.1	-37.2	178.5	-68.7	174	0	0	0	112.4	L1039 E1043 R1044 C1049 Y1050 G1051 T1052 T1055 L1056	L1039-L1047 HydrophobicContact CD2-CD1 4.13Å; E1043-L1047 WeakPolarHBondContact O-CG 3.25Å; E1043-L1047 PolarHBondContact O-N 2.85Å; E1043-L1047 VanDerWaalsContact O-N 3.07Å; R1044-L1047 WeakPolarHBondContact O-CB 3.45Å; R1044-L1047 PolarHBondContact O-N 2.73Å; R1044-L1047 VanDerWaalsContact O-N 3.07Å; L1047-C1049 VanDerWaalsContact C-N 3.34Å; L1047-Y1050 PolarHBondContact O-N 3Å; L1047-G1051 PolarHBondContact O-N 3.2Å; L1047-T1052 PolarHBondContact O-N 2.78Å; L1047-T1052 PolarHBondContact O-OG1 3.44Å; L1047-T1055 HydrophobicContact CD2-CG2 4.45Å; L1047-L1056 HydrophobicContact CB-CD1 4.46Å; L1047-L1056 HydrophobicContact CD1-CD1 4.19Å
1048	I	96.5	Very high	95.2	Very high	97 Å²	97	93.4 Å²	93.4	50%	0.497	48%	0.482	S	S	.	.	H	α-helix	trans	-61.8	-43.7	173.3	-66.7	168.3	0	0	0	110.2	R1044 D1045 C1046 Y1050 G1051 L1056	R1044-I1048 HydrophobicContact CG-CD1 3.96Å; R1044-I1048 WeakPolarHBondContact O-CG1 3.35Å; R1044-I1048 PolarHBondContact O-N 2.97Å; D1045-I1048 PolarHBondContact O-N 2.92Å; C1046-I1048 VanDerWaalsContact C-N 3.32Å; C1046-I1048 PolarHBondContact O-N 3.42Å; I1048-Y1050 VanDerWaalsContact C-N 3.29Å; I1048-Y1050 PolarHBondContact O-N 2.93Å; I1048-G1051 PolarHBondContact O-N 3.31Å; I1048-L1056 HydrophobicContact CG1-CD2 4.13Å
1049	C	96.9	Very high	95.3	Very high	115 Å²	115	89.4 Å²	89.4	78%	0.777	47%	0.467	S	S	*	.	H	α-helix	trans	-61.2	-35.2	177.2	-67.2	0	0	0	0	112.9	D1045 C1046 L1047 G1051	D1045-C1049 PolarHBondContact O-N 3.18Å; D1045-C1049 PolarHBondContact O-SG 3.43Å; C1046-C1049 WeakPolarHBondContact O-CB 3.36Å; C1046-C1049 PolarHBondContact O-N 2.99Å; L1047-C1049 VanDerWaalsContact C-N 3.34Å; C1049-G1051 PolarHBondContact O-N 3.46Å
1050	Y	96.7	Very high	95.2	Very high	189 Å²	189	89.9 Å²	89.9	74%	0.741	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-13.3	172.9	-78.1	-73.3	0	0	0	113.7	C1046 L1047 I1048 T1052	C1046-Y1050 WeakPolarHBondContact O-CD2 3.46Å; C1046-Y1050 PolarHBondContact O-N 3.19Å; C1046-Y1050 VanDerWaalsContact O-N 3.13Å; L1047-Y1050 PolarHBondContact O-N 3Å; I1048-Y1050 VanDerWaalsContact C-N 3.29Å; I1048-Y1050 PolarHBondContact O-N 2.93Å; Y1050-T1052 VanDerWaalsContact C-N 3.31Å; Y1050-T1052 PolarHBondContact O-N 3.42Å
1051	G	95.2	Very high	95.2	Very high	57 Å²	57	92.6 Å²	92.6	59%	0.588	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	17.8	-176.5	0	0	0	0	0	114.4	L1047 I1048 C1049 S1053	L1047-G1051 PolarHBondContact O-N 3.2Å; I1048-G1051 PolarHBondContact O-N 3.31Å; C1049-G1051 PolarHBondContact O-N 3.46Å; G1051-S1053 VanDerWaalsContact C-N 3.28Å; G1051-S1053 PolarHBondContact O-N 3.21Å
1052	T	95.2	Very high	95	Very high	49 Å²	49	89.7 Å²	89.7	30%	0.301	47%	0.466	S	S	.	.			trans	-84.9	63	-174.9	53.8	0	0	0	0	112.4	L1047 Y1050 L1054 T1055 L1056	L1047-T1052 PolarHBondContact O-N 2.78Å; L1047-T1052 PolarHBondContact O-OG1 3.44Å; Y1050-T1052 VanDerWaalsContact C-N 3.31Å; Y1050-T1052 PolarHBondContact O-N 3.42Å; T1052-L1054 VanDerWaalsContact C-N 3.31Å; T1052-L1054 PolarHBondContact O-N 3.13Å; T1052-T1055 PolarHBondContact O-N 3.44Å; T1052-T1055 VanDerWaalsContact O-N 3.1Å; T1052-L1056 PolarHBondContact O-N 3.1Å
1053	S	95.3	Very high	94.8	Very high	88 Å²	88	85.2 Å²	85.2	62%	0.615	45%	0.45	S	S	*	.	H	α-helix	trans	-55.4	-40.1	-176.4	60.8	0	0	0	0	113.9	G1051 L1056 Y1057	G1051-S1053 VanDerWaalsContact C-N 3.28Å; G1051-S1053 PolarHBondContact O-N 3.21Å; S1053-L1056 PolarHBondContact O-N 3.03Å; S1053-Y1057 WeakPolarHBondContact O-CB 3.22Å; S1053-Y1057 PolarHBondContact O-N 3.42Å
1054	L	96.1	Very high	94.6	Very high	138 Å²	138	81.8 Å²	81.8	72%	0.723	44%	0.437	S	S	*	.	H	α-helix	trans	-67.3	-39.4	177.4	-68.3	176.1	0	0	0	112.6	T1052 L1056 Y1057 E1058	T1052-L1054 VanDerWaalsContact C-N 3.31Å; T1052-L1054 PolarHBondContact O-N 3.13Å; L1054-L1056 VanDerWaalsContact C-N 3.34Å; L1054-Y1057 PolarHBondContact O-N 3.33Å; L1054-E1058 WeakPolarHBondContact O-CB 3.3Å; L1054-E1058 PolarHBondContact O-N 3.1Å
1055	T	95.4	Very high	94.5	Very high	58 Å²	58	80.2 Å²	80.2	36%	0.356	44%	0.435	S	S	.	.	H	α-helix	trans	-65.6	-41.2	175.3	-54.9	0	0	0	0	110.5	L1047 T1052 E1058 R1059	L1047-T1055 HydrophobicContact CD2-CG2 4.45Å; T1052-T1055 PolarHBondContact O-N 3.44Å; T1052-T1055 VanDerWaalsContact O-N 3.1Å; T1055-E1058 PolarHBondContact O-N 3.34Å; T1055-R1059 HydrophobicContact CG2-CG 4.29Å; T1055-R1059 WeakPolarHBondContact O-CB 3.22Å; T1055-R1059 VanDerWaalsContact O-CG 3.3Å; T1055-R1059 WeakPolarHBondContact O-CG 3.21Å; T1055-R1059 PolarHBondContact O-N 3.25Å
1056	L	94.9	Very high	94.2	Very high	41 Å²	41	84.5 Å²	84.5	22%	0.215	45%	0.446	C	S	.	.	H	α-helix	trans	-61.2	-45.8	175.3	-173.2	69.8	0	0	0	111.3	R1044 L1047 I1048 T1052 S1053 L1054 E1058 R1059 M1060	R1044-L1056 HydrophobicContact CG-CD1 3.83Å; L1047-L1056 HydrophobicContact CB-CD1 4.46Å; L1047-L1056 HydrophobicContact CD1-CD1 4.19Å; I1048-L1056 HydrophobicContact CG1-CD2 4.13Å; T1052-L1056 PolarHBondContact O-N 3.1Å; S1053-L1056 PolarHBondContact O-N 3.03Å; L1054-L1056 VanDerWaalsContact C-N 3.34Å; L1056-E1058 VanDerWaalsContact C-N 3.34Å; L1056-E1058 PolarHBondContact O-N 3.34Å; L1056-R1059 PolarHBondContact O-N 2.91Å; L1056-M1060 HydrophobicContact CD1-CE 4.19Å; L1056-M1060 HydrophobicContact CD1-CG 3.84Å; L1056-M1060 HydrophobicContact CG-CG 4.25Å; L1056-M1060 VanDerWaalsContact O-CB 3.28Å; L1056-M1060 WeakPolarHBondContact O-CB 3.01Å; L1056-M1060 WeakPolarHBondContact O-CG 3.27Å; L1056-M1060 PolarHBondContact O-N 2.82Å
1057	Y	94.4	Very high	93.9	Very high	115 Å²	115	83.9 Å²	83.9	45%	0.451	44%	0.44	S	S	.	.	H	α-helix	trans	-58.2	-44.6	174.3	177.1	-100.4	0	0	0	112.2	S1053 L1054 M1061 L1062	S1053-Y1057 WeakPolarHBondContact O-CB 3.22Å; S1053-Y1057 PolarHBondContact O-N 3.42Å; L1054-Y1057 PolarHBondContact O-N 3.33Å; Y1057-M1061 HydrophobicContact CD2-CB 4.43Å; Y1057-M1061 HydrophobicContact CD2-SD 4.1Å; Y1057-M1061 HydrophobicContact CE2-CB 4.36Å; Y1057-M1061 HydrophobicContact CE2-CG 4.41Å; Y1057-M1061 HydrophobicContact CE2-SD 3.23Å; Y1057-M1061 WeakPolarHBondContact CE2-SD 3.44Å; Y1057-M1061 WeakPolarHBondContact O-CB 3.46Å; Y1057-M1061 PolarHBondContact O-N 3.02Å; Y1057-L1062 HydrophobicContact CD1-CD1 4.09Å; Y1057-L1062 HydrophobicContact CD1-CG 4.13Å; Y1057-L1062 HydrophobicContact CE1-CD1 3.84Å; Y1057-L1062 HydrophobicContact CE1-CD2 3.9Å; Y1057-L1062 HydrophobicContact CE1-CG 3.75Å; Y1057-L1062 PolarHBondContact O-N 3.36Å
1058	E	95	Very high	93.5	Very high	75 Å²	75	87.6 Å²	87.6	35%	0.35	47%	0.466	S	S	.	.	I	π-helix	trans	-63.5	-45.8	178.8	-170.1	-159.9	169	0	0	112.4	L1054 T1055 L1056 L1062 S1063	L1054-E1058 WeakPolarHBondContact O-CB 3.3Å; L1054-E1058 PolarHBondContact O-N 3.1Å; T1055-E1058 PolarHBondContact O-N 3.34Å; L1056-E1058 VanDerWaalsContact C-N 3.34Å; L1056-E1058 PolarHBondContact O-N 3.34Å; E1058-L1062 HydrophobicContact CB-CD1 4.41Å; E1058-L1062 HydrophobicContact CG-CB 4.42Å; E1058-L1062 HydrophobicContact CG-CD1 4.22Å; E1058-L1062 WeakPolarHBondContact O-CB 3.45Å; E1058-L1062 PolarHBondContact O-N 3.41Å; E1058-S1063 WeakPolarHBondContact O-CB 3.44Å; E1058-S1063 PolarHBondContact O-N 2.83Å; E1058-S1063 PolarHBondContact O-OG 2.97Å
1059	R	93.1	Very high	93	Very high	122 Å²	122	87.9 Å²	87.9	46%	0.46	47%	0.467	S	S	.	.	I	π-helix	trans	-73.7	-43.7	-176.7	-66.7	-62.8	109.7	149	0.8	112.2	L1039 T1055 L1056	L1039-R1059 HydrophobicContact CD2-CB 4.04Å; T1055-R1059 HydrophobicContact CG2-CG 4.29Å; T1055-R1059 WeakPolarHBondContact O-CB 3.22Å; T1055-R1059 VanDerWaalsContact O-CG 3.3Å; T1055-R1059 WeakPolarHBondContact O-CG 3.21Å; T1055-R1059 PolarHBondContact O-N 3.25Å; L1056-R1059 PolarHBondContact O-N 2.91Å
1060	M	92	Very high	92.7	Very high	79 Å²	79	86.3 Å²	86.3	39%	0.389	45%	0.451	S	S	.	.	I	π-helix	trans	-79.3	-36	-176.4	-67.9	-64.9	-160	0	0	113.2	L1039 R1044 L1056	L1039-M1060 HydrophobicContact CD2-CE 4.05Å; L1039-M1060 HydrophobicContact CD2-SD 4.24Å; R1044-M1060 HydrophobicContact CB-CE 3.75Å; R1044-M1060 HydrophobicContact CG-CE 3.74Å; L1056-M1060 HydrophobicContact CD1-CE 4.19Å; L1056-M1060 HydrophobicContact CD1-CG 3.84Å; L1056-M1060 HydrophobicContact CG-CG 4.25Å; L1056-M1060 VanDerWaalsContact O-CB 3.28Å; L1056-M1060 WeakPolarHBondContact O-CB 3.01Å; L1056-M1060 WeakPolarHBondContact O-CG 3.27Å; L1056-M1060 PolarHBondContact O-N 2.82Å
1061	M	92	Very high	92.3	Very high	72 Å²	72	81.8 Å²	81.8	36%	0.355	44%	0.443	S	S	.	.	I	π-helix	trans	-109.2	-58.3	-175.4	-173.3	-177.6	175.9	0	0	112.8	Y1057 S1063 S1064 D1065 R1066	Y1057-M1061 HydrophobicContact CD2-CB 4.43Å; Y1057-M1061 HydrophobicContact CD2-SD 4.1Å; Y1057-M1061 HydrophobicContact CE2-CB 4.36Å; Y1057-M1061 HydrophobicContact CE2-CG 4.41Å; Y1057-M1061 HydrophobicContact CE2-SD 3.23Å; Y1057-M1061 WeakPolarHBondContact CE2-SD 3.44Å; Y1057-M1061 WeakPolarHBondContact O-CB 3.46Å; Y1057-M1061 PolarHBondContact O-N 3.02Å; M1061-S1063 PolarHBondContact O-N 2.9Å; M1061-S1064 PolarHBondContact O-N 2.91Å; M1061-D1065 PolarHBondContact O-N 2.86Å; M1061-R1066 HydrophobicContact CE-CG 4.44Å; M1061-R1066 PolarHBondContact O-N 3.4Å; M1061-R1066 VanDerWaalsContact O-N 3.12Å
1062	L	92.9	Very high	92	Very high	70 Å²	70	81.3 Å²	81.3	37%	0.366	43%	0.43	S	S	.	.	I	π-helix	trans	-66.1	-39.9	-171.2	-62.7	-179	0	0	0	112.7	Y1057 E1058	Y1057-L1062 HydrophobicContact CD1-CD1 4.09Å; Y1057-L1062 HydrophobicContact CD1-CG 4.13Å; Y1057-L1062 HydrophobicContact CE1-CD1 3.84Å; Y1057-L1062 HydrophobicContact CE1-CD2 3.9Å; Y1057-L1062 HydrophobicContact CE1-CG 3.75Å; Y1057-L1062 PolarHBondContact O-N 3.36Å; E1058-L1062 HydrophobicContact CB-CD1 4.41Å; E1058-L1062 HydrophobicContact CG-CB 4.42Å; E1058-L1062 HydrophobicContact CG-CD1 4.22Å; E1058-L1062 WeakPolarHBondContact O-CB 3.45Å; E1058-L1062 PolarHBondContact O-N 3.41Å
1063	S	91.8	Very high	91.8	Very high	61 Å²	61	84.9 Å²	84.9	43%	0.427	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-12.9	-175.6	-54.7	0	0	0	0	114	E1058 M1061	E1058-S1063 WeakPolarHBondContact O-CB 3.44Å; E1058-S1063 PolarHBondContact O-N 2.83Å; E1058-S1063 PolarHBondContact O-OG 2.97Å; M1061-S1063 PolarHBondContact O-N 2.9Å
1064	S	90.7	Very high	91.6	Very high	24 Å²	24	89.5 Å²	89.5	17%	0.168	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-78.6	-174.5	-169.8	0	0	0	0	111.9	R1020 M1061	R1020-S1064 PolarHBondContact NH1-O 3.19Å; R1020-S1064 PolarHBondContact NH2-O 3.03Å; M1061-S1064 PolarHBondContact O-N 2.91Å
1065	D	90.9	Very high	91.4	Very high	55 Å²	55	86.7 Å²	86.7	29%	0.294	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.3	23.7	-158.9	61.2	-11.1	0	0	0	114.7	Q1026 M1061 T1067	Q1026-D1065 HydrophobicContact CG-CB 4.41Å; M1061-D1065 PolarHBondContact O-N 2.86Å; D1065-T1067 PolarHBondContact O-N 3.32Å; D1065-T1067 PolarHBondContact O-OG1 3.19Å; D1065-T1067 VanDerWaalsContact O-OG1 3.08Å
1066	R	91.9	Very high	91.1	Very high	161 Å²	161	86.5 Å²	86.5	61%	0.608	47%	0.469	S	S	*	.			trans	-41.8	117.6	172.7	179.4	-175.1	175.6	-179.8	-0.3	112.1	M1061	M1061-R1066 HydrophobicContact CE-CG 4.44Å; M1061-R1066 PolarHBondContact O-N 3.4Å; M1061-R1066 VanDerWaalsContact O-N 3.12Å
1067	T	88.7	Confident	90.9	Very high	59 Å²	59	90 Å²	90	36%	0.362	49%	0.488	S	S	.	.			trans	-129.6	117.4	175.7	-59.7	0	0	0	0	109.3	D1065 I1069	D1065-T1067 PolarHBondContact O-N 3.32Å; D1065-T1067 PolarHBondContact O-OG1 3.19Å; D1065-T1067 VanDerWaalsContact O-OG1 3.08Å; T1067-I1069 HydrophobicContact CG2-CG1 4.1Å
1068	P	88.1	Confident	90.6	Very high	114 Å²	114	89.3 Å²	89.3	74%	0.74	50%	0.495	S	S	*	.			trans	-72	134.6	170.5	30.3	-32	0	0	0	109.6
1069	I	86.6	Confident	89.8	Confident	103 Å²	103	88.4 Å²	88.4	53%	0.528	50%	0.497	S	S	.	.			trans	-133.6	135.2	-178.9	-57.2	176.2	0	0	0	107.8	T1067 V1071 V1078	T1067-I1069 HydrophobicContact CG2-CG1 4.1Å; I1069-V1071 HydrophobicContact CG2-CG2 4.4Å; I1069-V1078 HydrophobicContact CG2-CB 4.13Å; I1069-V1078 HydrophobicContact CG2-CG1 3.27Å; I1069-V1078 HydrophobicContact CG2-CG2 3.86Å
1070	D	89.9	Confident	88.5	Confident	82 Å²	82	85.9 Å²	85.9	44%	0.439	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	127.2	175.7	-61.9	-38.5	0	0	0	108.8	V1078 S1079 K1081	D1070-V1078 WeakPolarHBondContact O-CA 3.48Å; D1070-S1079 PolarHBondContact O-N 2.89Å; D1070-K1081 WeakPolarHBondContact OD2-CE 3.48Å
1071	V	89.3	Confident	86.9	Confident	94 Å²	94	91 Å²	91	57%	0.57	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.1	124.4	-177.8	-177.1	0	0	0	0	109.1	I1069 S1073 V1078	I1069-V1071 HydrophobicContact CG2-CG2 4.4Å; V1071-S1073 PolarHBondContact O-N 3.34Å; V1071-V1078 HydrophobicContact CG2-CG2 4.45Å
1072	C	88.7	Confident	85.4	Confident	47 Å²	47	91.1 Å²	91.1	32%	0.318	54%	0.538	S	S	.	.			trans	-69.5	124.9	178.2	178.7	0	0	0	0	110.3	Q1074 C1075 G1076 L1077	C1072-Q1074 VanDerWaalsContact C-N 3.27Å; C1072-Q1074 PolarHBondContact O-N 3.13Å; C1072-C1075 WeakPolarHBondContact CB-SG 3.36Å; C1072-G1076 WeakPolarHBondContact O-CA 3.4Å; C1072-G1076 PolarHBondContact O-N 3.07Å; C1072-L1077 PolarHBondContact N-O 2.88Å
1073	S	90.5	Very high	82.9	Confident	124 Å²	124	101.3 Å²	101.3	87%	0.867	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-25	179.7	55.1	0	0	0	0	113.7	V1071	V1071-S1073 PolarHBondContact O-N 3.34Å
1074	Q	90.8	Very high	82.5	Confident	186 Å²	186	103.3 Å²	103.3	87%	0.869	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-43.4	-178.7	-66.9	-178	-13.3	0	0	112.7	C1072	C1072-Q1074 VanDerWaalsContact C-N 3.27Å; C1072-Q1074 PolarHBondContact O-N 3.13Å
1075	C	91.1	Very high	82	Confident	79 Å²	79	107.5 Å²	107.5	53%	0.534	60%	0.601	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110	-9.1	-175.6	63.3	0	0	0	0	114.5	C1072 L1077	C1072-C1075 WeakPolarHBondContact CB-SG 3.36Å; C1075-L1077 HydrophobicContact CB-CD1 4.42Å; C1075-L1077 HydrophobicContact CB-CG 4.25Å; C1075-L1077 PolarHBondContact O-N 2.86Å
1076	G	90.9	Very high	81.5	Confident	53 Å²	53	110.4 Å²	110.4	55%	0.546	62%	0.618	S	S	.	*			trans	69.5	5.7	-177.2	0	0	0	0	0	114.5	C1072	C1072-G1076 WeakPolarHBondContact O-CA 3.4Å; C1072-G1076 PolarHBondContact O-N 3.07Å
1077	L	90.5	Very high	80.9	Confident	116 Å²	116	107.4 Å²	107.4	61%	0.607	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-82.7	148.6	-179.8	-60.9	177.3	0	0	0	111.4	C1072 C1075	C1072-L1077 PolarHBondContact N-O 2.88Å; C1075-L1077 HydrophobicContact CB-CD1 4.42Å; C1075-L1077 HydrophobicContact CB-CG 4.25Å; C1075-L1077 PolarHBondContact O-N 2.86Å
1078	V	88.1	Confident	80.4	Confident	100 Å²	100	110.4 Å²	110.4	61%	0.606	63%	0.634	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-74.3	123.7	171.7	172.9	0	0	0	0	109	I1069 D1070 V1071	I1069-V1078 HydrophobicContact CG2-CB 4.13Å; I1069-V1078 HydrophobicContact CG2-CG1 3.27Å; I1069-V1078 HydrophobicContact CG2-CG2 3.86Å; D1070-V1078 WeakPolarHBondContact O-CA 3.48Å; V1071-V1078 HydrophobicContact CG2-CG2 4.45Å
1079	S	77.6	Confident	79.9	Confident	55 Å²	55	110.2 Å²	110.2	39%	0.385	63%	0.627	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.7	131.8	167.7	170.6	0	0	0	0	108.8	D1070	D1070-S1079 PolarHBondContact O-N 2.89Å
1080	S	66.6	Low	79.5	Confident	69 Å²	69	110.7 Å²	110.7	48%	0.483	63%	0.634	S	S	.	*	P	Polyproline II helix	trans	-87.3	129.6	163.8	55.8	0	0	0	0	108.5	G1082 W1083	S1080-G1082 PolarHBondContact O-N 3.18Å; S1080-W1083 PolarHBondContact O-N 3.27Å; S1080-W1083 VanDerWaalsContact O-N 3.07Å
1081	K	57.3	Low	78.7	Confident	187 Å²	187	112.9 Å²	112.9	81%	0.813	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.1	106.9	172.1	-77.9	-176	174.7	-180	0	110.4	D1070	D1070-K1081 WeakPolarHBondContact OD2-CE 3.48Å
1082	G	60.5	Low	77.8	Confident	75 Å²	75	114.5 Å²	114.5	77%	0.773	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	114.6	6.2	179.2	0	0	0	0	0	116.9	S1080	S1080-G1082 PolarHBondContact O-N 3.18Å
1083	W	40.8	Very low	76.8	Confident	283 Å²	283	120.6 Å²	120.6	100%	1.072	69%	0.687	S	S	*	*			trans	-130.3	0	172	-81.6	63.3	0	0	0	112.4	S1080	S1080-W1083 PolarHBondContact O-N 3.27Å; S1080-W1083 VanDerWaalsContact O-N 3.07Å

Retrieved 1,083 of 1,083 residues in 1666.3 ms (Link to these results)

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