A0A087WPQ7_MOUSE Loading...

Contactin associated protein-like 5B

AlphaFold DB , UniProt , Accession A0A087WPQ7, Species MOUSE (Mus musculus, Mouse), Gene Cntnap5b, Length 921 aa.

						>A0A087WPQ7_MOUSE|A0A087WPQ7|Cntnap5b
SKPGTFLKKNFQGCIENLYYNGVNIIDLAKRRKHQIYSVGNVTFSCSEPQIVPITFVNSRSSYLLLPGTPQIDGLSVSFQFRTWNEDGLLLSTELSEGSGTLLLILEGGTLRLLIKNVAGHGTESLTGRSLNNGQWHSVNINARRNRVTLTLDNDPASPALETPWLQIYSGYSYYFGGCPDNLTDSQCLNPIKAFQGCMRLIFIDNQPKDLISVQQGSLGNFSDLHIDLCSIKDRCFPNYCEHGGHCTQTWTNFYCNCSNTGYTGATCHDSIYEQSCEVYRHRGNTAGYFYVDSDGSGPLRPLQVYCNVTEDKIWMTVQHNNTELTWIQGSNTEKPYVMNLNYGGSMEQLEALIDGSEHCEQEVTYYCRRSHLLNTPDGAPFAWWTGRSNERHPYWGGYFPGDQKCGCGLEESCLEMSNDTGFLSFKDHLPVTQIIISDTNRSNSEAAWRIGPLRCYGDPPSEVIFAIDVGNGPMELLVQSPYPLNDNQWHYIQAERNIKETLLHVDNLPKSMRMASEEGHFLLQLNSQLFVGGTSSRQKGFLGCIRSLHLNGQKVDLEERAKITSGVRPGCAGHCNSYGRNCQNGGKCVEKHIGYTCDCTNSPYEGPFCKKEISALFYSGTSVTYMFQEPYPVTKNTSLSSSAIYKDTAPSKEAITLSFMTAQAPTLLLYLNFSSQNFLAILLSRNGSLQIQYRLSKEESHVFTISTENLANRRVHQVKMSRDGPELSIQMDQQLFSYNFPPEVEFQTVRSLILGKVTETLGLDPEVAKANTLGFVGCLSSVQYNHIAPLKAALRHASISPVTVQGTLTESSCDSMIDSDVTGVTTVYSPSVPFGKTDEHEPLTNTIQSDSAFIGGVIAIVTFITFCVLGIMVHFLYQQKQSHRTNQMKEKEYPDNLDSSFRNDIDLQNTAIECKREYFI
					

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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	S	37	Very low	42.8	Very low	172 Å²	172	159.3 Å²	159.3	100%	1.203	85%	0.846	S	S	*	*				0	125.5	0	37.7	0	0	0	0	108.2
2	K	27.8	Very low	44.7	Very low	208 Å²	208	159.5 Å²	159.5	90%	0.904	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-68.3	139.9	179.3	-79.1	179.2	173.9	178.6	0	110.1	G4	K2-G4 PolarHBondContact O-N 3.47Å
3	P	37.9	Very low	46.4	Very low	127 Å²	127	151.5 Å²	151.5	83%	0.825	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-75.2	123.8	172.4	1	15.5	0	0	0	109.5
4	G	30.8	Very low	48.7	Very low	62 Å²	62	144.9 Å²	144.9	64%	0.639	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-72.2	130.6	172.1	0	0	0	0	0	111.2	K2 F6	K2-G4 PolarHBondContact O-N 3.47Å; G4-F6 PolarHBondContact O-N 3.26Å
5	T	36.7	Very low	50.8	Low	143 Å²	143	141.7 Å²	141.7	88%	0.877	77%	0.769	S	S	*	*			trans	-72.6	101.4	171.5	36.1	0	0	0	0	110.3
6	F	33.2	Very low	52.8	Low	184 Å²	184	142.4 Å²	142.4	81%	0.807	77%	0.765	S	S	*	*			trans	-84.3	113.9	162.3	-75.5	-83.9	0	0	0	109.3	G4 K8	G4-F6 PolarHBondContact O-N 3.26Å; F6-K8 PolarHBondContact O-N 2.95Å; F6-K8 VanDerWaalsContact O-N 3.07Å
7	L	44.5	Very low	54.5	Low	183 Å²	183	140.2 Å²	140.2	96%	0.958	75%	0.753	S	S	*	*			trans	-71.1	88.5	163.5	-91.3	140.4	0	0	0	108.5
8	K	40.9	Very low	56.3	Low	178 Å²	178	136.9 Å²	136.9	77%	0.774	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-100.9	125.5	166.2	-81.4	-173.8	174.1	-176.8	0	109.1	F6	F6-K8 PolarHBondContact O-N 2.95Å; F6-K8 VanDerWaalsContact O-N 3.07Å
9	K	48.6	Very low	58.1	Low	199 Å²	199	136.5 Å²	136.5	87%	0.865	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-58.8	138.5	167	-71.1	-177.8	175.4	-177.5	0	108.7
10	N	67	Low	59.5	Low	157 Å²	157	137.7 Å²	137.7	84%	0.84	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-70.7	156.8	173.2	-66.7	-34	0	0	0	110.4
11	F	67	Low	60.8	Low	139 Å²	139	137.6 Å²	137.6	61%	0.61	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-66.2	132.5	173.8	177.8	-93.5	0	0	0	110.6	G13 I15	F11-G13 VanDerWaalsContact CE1-C 3.45Å; F11-G13 WeakPolarHBondContact CE1-O 3.42Å; F11-I15 HydrophobicContact CD1-CD1 3.72Å; F11-I15 HydrophobicContact CD1-CG1 3.69Å; F11-I15 HydrophobicContact CE1-CD1 3.82Å; F11-I15 HydrophobicContact CE1-CG1 3.23Å; F11-I15 HydrophobicContact CE2-CG1 4.49Å; F11-I15 HydrophobicContact CG-CD1 4.2Å; F11-I15 HydrophobicContact CG-CG1 4.48Å; F11-I15 HydrophobicContact CZ-CD1 4.35Å; F11-I15 HydrophobicContact CZ-CG1 3.69Å
12	Q	65.1	Low	63	Low	162 Å²	162	132.6 Å²	132.6	76%	0.757	70%	0.695	S	S	*	*			trans	-121.9	113.9	176	-175.8	173.6	2.3	0	0	108.9
13	G	67	Low	65.9	Low	56 Å²	56	126 Å²	126	58%	0.577	67%	0.671	S	S	*	*	S	Bend	trans	146.9	-167.8	-174.4	0	0	0	0	0	110.7	F11	F11-G13 VanDerWaalsContact CE1-C 3.45Å; F11-G13 WeakPolarHBondContact CE1-O 3.42Å
14	C	77.8	Confident	68.3	Low	59 Å²	59	121.9 Å²	121.9	40%	0.399	64%	0.643	S	S	.	*			trans	-101.1	140.7	174.7	-58.3	0	0	0	0	111	C46	C14-C46 HydrophobicContact CB-CB 3.62Å; C14-C46 WeakPolarHBondContact CB-SG 3.3Å; C14-C46 WeakPolarHBondContact SG-CA 3.37Å; C14-C46 WeakPolarHBondContact SG-CB 3.43Å; C14-C46 CovalentContact SG-SG 2.02Å; C14-C46 PolarHBondContact SG-SG 2.57Å
15	I	80.9	Confident	71.2	Confident	97 Å²	97	121 Å²	121	50%	0.497	62%	0.622	S	S	.	*			trans	-112.6	120.2	169	-55.4	-177.9	0	0	0	107.4	F11 L18 I26	F11-I15 HydrophobicContact CD1-CD1 3.72Å; F11-I15 HydrophobicContact CD1-CG1 3.69Å; F11-I15 HydrophobicContact CE1-CD1 3.82Å; F11-I15 HydrophobicContact CE1-CG1 3.23Å; F11-I15 HydrophobicContact CE2-CG1 4.49Å; F11-I15 HydrophobicContact CG-CD1 4.2Å; F11-I15 HydrophobicContact CG-CG1 4.48Å; F11-I15 HydrophobicContact CZ-CD1 4.35Å; F11-I15 HydrophobicContact CZ-CG1 3.69Å; I15-L18 HydrophobicContact CG2-CB 4.06Å; I15-I26 HydrophobicContact CG2-CD1 4.39Å; I15-I26 VanDerWaalsContact O-CD1 3.3Å; I15-I26 WeakPolarHBondContact O-CD1 3.37Å
16	E	82.7	Confident	73.6	Confident	152 Å²	152	115.7 Å²	115.7	71%	0.71	59%	0.588	S	S	*	*			trans	-115.2	162.8	169.6	61.2	170.1	-149.6	0	0	110.6	L18	E16-L18 PolarHBondContact O-N 2.91Å; E16-L18 VanDerWaalsContact O-N 3.11Å
17	N	82.1	Confident	76.2	Confident	106 Å²	106	109.1 Å²	109.1	57%	0.567	56%	0.562	S	S	*	*			trans	53.7	35.8	172.7	-58.2	-44.9	0	0	0	115	Y19	N17-Y19 HydrophobicContact CB-CE2 4.28Å; N17-Y19 VanDerWaalsContact O-CD2 3.25Å; N17-Y19 WeakPolarHBondContact O-CD2 3.4Å; N17-Y19 PolarHBondContact O-N 3.25Å; N17-Y19 VanDerWaalsContact O-N 3.17Å
18	L	86.9	Confident	78.4	Confident	80 Å²	80	101.9 Å²	101.9	42%	0.419	52%	0.524	S	S	.	.			trans	-76.6	102.9	174.5	-176.4	65.6	0	0	0	110.4	I15 E16 I25 I26	I15-L18 HydrophobicContact CG2-CB 4.06Å; E16-L18 PolarHBondContact O-N 2.91Å; E16-L18 VanDerWaalsContact O-N 3.11Å; L18-I25 HydrophobicContact CD2-CB 3.95Å; L18-I25 HydrophobicContact CD2-CG2 3.93Å; L18-I25 HydrophobicContact CG-CB 4.04Å; L18-I25 HydrophobicContact CG-CG1 4.4Å; L18-I25 PolarHBondContact O-N 3.23Å; L18-I26 HydrophobicContact CB-CD1 3.68Å; L18-I26 HydrophobicContact CB-CG1 3.89Å
19	Y	90.4	Very high	80.6	Confident	129 Å²	129	94.1 Å²	94.1	51%	0.506	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	138.6	173.1	-68.5	-95.5	0	0	0	111	N17 V23 N24	N17-Y19 HydrophobicContact CB-CE2 4.28Å; N17-Y19 VanDerWaalsContact O-CD2 3.25Å; N17-Y19 WeakPolarHBondContact O-CD2 3.4Å; N17-Y19 PolarHBondContact O-N 3.25Å; N17-Y19 VanDerWaalsContact O-N 3.17Å; Y19-V23 CarbonylContact C-O 3.53Å; Y19-V23 VanDerWaalsContact CA-O 3.26Å; Y19-V23 WeakPolarHBondContact CA-O 3.2Å; Y19-N24 HydrophobicContact CD1-CB 3.93Å; Y19-N24 HydrophobicContact CE1-CB 3.48Å; Y19-N24 VanDerWaalsContact CE1-CB 3.48Å; Y19-N24 PolarHBondContact OH-ND2 2.94Å; Y19-N24 VanDerWaalsContact OH-ND2 3.07Å
20	Y	85.4	Confident	82.4	Confident	160 Å²	160	89.7 Å²	89.7	63%	0.627	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.6	121.3	168.2	179.7	-103.1	0	0	0	108.7	G22 V23	Y20-G22 PolarHBondContact O-N 3.3Å; Y20-V23 PolarHBondContact N-O 3.29Å; Y20-V23 WeakPolarHBondContact O-CB 3.49Å; Y20-V23 PolarHBondContact O-N 3.07Å
21	N	87	Confident	83.4	Confident	136 Å²	136	90 Å²	90	73%	0.727	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	42.2	-174.8	-66.5	-15.6	0	0	0	113.6	V23	N21-V23 PolarHBondContact O-N 3.42Å
22	G	84.3	Confident	84.2	Confident	68 Å²	68	94.3 Å²	94.3	70%	0.701	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	-0.8	-179	0	0	0	0	0	115	Y20	Y20-G22 PolarHBondContact O-N 3.3Å
23	V	87.9	Confident	85.3	Confident	68 Å²	68	91.3 Å²	91.3	41%	0.412	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	126.9	178.2	-176.7	0	0	0	0	110.3	Y19 Y20 N21 I25 L28	Y19-V23 CarbonylContact C-O 3.53Å; Y19-V23 VanDerWaalsContact CA-O 3.26Å; Y19-V23 WeakPolarHBondContact CA-O 3.2Å; Y20-V23 PolarHBondContact N-O 3.29Å; Y20-V23 WeakPolarHBondContact O-CB 3.49Å; Y20-V23 PolarHBondContact O-N 3.07Å; N21-V23 PolarHBondContact O-N 3.42Å; V23-I25 HydrophobicContact CG1-CD1 4.44Å; V23-I25 PolarHBondContact O-N 3.12Å; V23-L28 HydrophobicContact CG1-CD1 3.5Å; V23-L28 VanDerWaalsContact CG1-CD1 3.5Å; V23-L28 HydrophobicContact CG1-CG 4.14Å
24	N	89.3	Confident	86	Confident	42 Å²	42	96.7 Å²	96.7	23%	0.225	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	102.8	176.8	-170	-39.8	0	0	0	110.6	Y19 I26 D27 L28	Y19-N24 HydrophobicContact CD1-CB 3.93Å; Y19-N24 HydrophobicContact CE1-CB 3.48Å; Y19-N24 VanDerWaalsContact CE1-CB 3.48Å; Y19-N24 PolarHBondContact OH-ND2 2.94Å; Y19-N24 VanDerWaalsContact OH-ND2 3.07Å; N24-I26 VanDerWaalsContact C-N 3.33Å; N24-I26 PolarHBondContact O-N 3.23Å; N24-I26 PolarHBondContact OD1-N 3.21Å; N24-I26 VanDerWaalsContact OD1-N 3.11Å; N24-D27 HydrophobicContact CB-CB 3.93Å; N24-D27 PolarHBondContact O-N 3.12Å; N24-D27 PolarHBondContact OD1-N 3.49Å; N24-L28 WeakPolarHBondContact O-CG 3.44Å; N24-L28 PolarHBondContact O-N 3.28Å
25	I	91.1	Very high	86.2	Confident	42 Å²	42	100.8 Å²	100.8	22%	0.215	48%	0.483	C	S	.	.	H	α-helix	trans	-68.4	-33.9	-176.6	-58.6	-54.3	0	0	0	111.5	L18 V23 L28 A29 I36	L18-I25 HydrophobicContact CD2-CB 3.95Å; L18-I25 HydrophobicContact CD2-CG2 3.93Å; L18-I25 HydrophobicContact CG-CB 4.04Å; L18-I25 HydrophobicContact CG-CG1 4.4Å; L18-I25 PolarHBondContact O-N 3.23Å; V23-I25 HydrophobicContact CG1-CD1 4.44Å; V23-I25 PolarHBondContact O-N 3.12Å; I25-L28 HydrophobicContact CD1-CD1 4.3Å; I25-L28 PolarHBondContact O-N 2.82Å; I25-A29 WeakPolarHBondContact O-CB 3.37Å; I25-A29 PolarHBondContact O-N 3.12Å; I25-I36 HydrophobicContact CG2-CD1 3.97Å
26	I	87.6	Confident	86.5	Confident	32 Å²	32	98.4 Å²	98.4	16%	0.164	47%	0.47	C	S	.	.	H	α-helix	trans	-67.1	-39.9	177.9	-66.7	160.6	0	0	0	110.8	I15 L18 N24 A29 K30 F44	I15-I26 HydrophobicContact CG2-CD1 4.39Å; I15-I26 VanDerWaalsContact O-CD1 3.3Å; I15-I26 WeakPolarHBondContact O-CD1 3.37Å; L18-I26 HydrophobicContact CB-CD1 3.68Å; L18-I26 HydrophobicContact CB-CG1 3.89Å; N24-I26 VanDerWaalsContact C-N 3.33Å; N24-I26 PolarHBondContact O-N 3.23Å; N24-I26 PolarHBondContact OD1-N 3.21Å; N24-I26 VanDerWaalsContact OD1-N 3.11Å; I26-A29 WeakPolarHBondContact O-CB 3.15Å; I26-A29 PolarHBondContact O-N 3.28Å; I26-K30 HydrophobicContact CG2-CD 4.25Å; I26-K30 HydrophobicContact CG2-CG 4.49Å; I26-K30 WeakPolarHBondContact O-CB 3.44Å; I26-K30 WeakPolarHBondContact O-CG 3.19Å; I26-K30 PolarHBondContact O-N 3.41Å; I26-F44 HydrophobicContact CG2-CD1 4.24Å; I26-F44 HydrophobicContact CG2-CE1 4.44Å
27	D	87.4	Confident	86.6	Confident	46 Å²	46	101 Å²	101	25%	0.246	48%	0.475	C	S	.	.	H	α-helix	trans	-65.6	-40.1	175.6	-176.9	65.8	0	0	0	111.7	N24 A29 K30 R31	N24-D27 HydrophobicContact CB-CB 3.93Å; N24-D27 PolarHBondContact O-N 3.12Å; N24-D27 PolarHBondContact OD1-N 3.49Å; D27-A29 VanDerWaalsContact C-N 3.33Å; D27-A29 PolarHBondContact O-N 3.13Å; D27-K30 WeakPolarHBondContact O-CB 3.08Å; D27-K30 PolarHBondContact O-N 2.73Å; D27-R31 WeakPolarHBondContact O-CB 3.48Å; D27-R31 VanDerWaalsContact O-CG 3.3Å; D27-R31 WeakPolarHBondContact O-CG 3.38Å; D27-R31 PolarHBondContact O-N 3.15Å; D27-R31 IonicContact OD1-CZ 2.63Å; D27-R31 VanDerWaalsContact OD1-CZ 3.3Å; D27-R31 IonicContact OD1-NE 3.35Å; D27-R31 PolarHBondContact OD1-NE 3.29Å; D27-R31 IonicContact OD1-NH2 3.47Å; D27-R31 PolarHBondContact OD1-NH2 3.03Å; D27-R31 IonicContact OD2-CZ 3.38Å; D27-R31 IonicContact OD2-NE 3.52Å; D27-R31 PolarHBondContact OD2-NE 2.95Å; D27-R31 IonicContact OD2-NH2 3.13Å; D27-R31 PolarHBondContact OD2-NH2 3.44Å; D27-R31 VanDerWaalsContact OD2-NH2 3.09Å
28	L	89.6	Confident	86.5	Confident	32 Å²	32	98.7 Å²	98.7	17%	0.168	47%	0.468	C	S	.	.	H	α-helix	trans	-62.8	-39.9	173.7	-65.9	-179.3	0	0	0	112.3	V23 N24 I25 R31 R32 K33 I36	V23-L28 HydrophobicContact CG1-CD1 3.5Å; V23-L28 VanDerWaalsContact CG1-CD1 3.5Å; V23-L28 HydrophobicContact CG1-CG 4.14Å; N24-L28 WeakPolarHBondContact O-CG 3.44Å; N24-L28 PolarHBondContact O-N 3.28Å; I25-L28 HydrophobicContact CD1-CD1 4.3Å; I25-L28 PolarHBondContact O-N 2.82Å; L28-R31 PolarHBondContact O-N 3.06Å; L28-R32 PolarHBondContact O-N 2.94Å; L28-K33 HydrophobicContact CB-CB 4.48Å; L28-K33 HydrophobicContact CD2-CB 4.31Å; L28-K33 HydrophobicContact CD2-CG 3.84Å; L28-K33 PolarHBondContact O-N 3.39Å; L28-K33 VanDerWaalsContact O-N 3.12Å; L28-I36 HydrophobicContact CB-CD1 4.26Å; L28-I36 HydrophobicContact CB-CG1 3.58Å; L28-I36 HydrophobicContact CD1-CD1 4.45Å; L28-I36 HydrophobicContact CD1-CG1 4.41Å
29	A	87.8	Confident	85.9	Confident	14 Å²	14	100.5 Å²	100.5	12%	0.116	48%	0.482	C	S	.	.	H	α-helix	trans	-64.9	-46	174.7	0	0	0	0	0	111.6	I25 I26 D27 R31 R32 I36 F44	I25-A29 WeakPolarHBondContact O-CB 3.37Å; I25-A29 PolarHBondContact O-N 3.12Å; I26-A29 WeakPolarHBondContact O-CB 3.15Å; I26-A29 PolarHBondContact O-N 3.28Å; D27-A29 VanDerWaalsContact C-N 3.33Å; D27-A29 PolarHBondContact O-N 3.13Å; A29-R31 VanDerWaalsContact C-N 3.29Å; A29-R31 PolarHBondContact O-N 3.24Å; A29-R32 PolarHBondContact O-N 3.1Å; A29-R32 VanDerWaalsContact O-N 3.12Å; A29-I36 HydrophobicContact CB-CG2 3.82Å; A29-F44 VanDerWaalsContact C-CZ 3.45Å; A29-F44 HydrophobicContact CB-CE1 3.91Å; A29-F44 HydrophobicContact CB-CZ 3.89Å
30	K	85.9	Confident	85.2	Confident	107 Å²	107	97.5 Å²	97.5	47%	0.465	49%	0.49	S	S	.	.	H	α-helix	trans	-55	-44.5	175.2	-81.1	174.3	167.3	174.6	0	111.7	I26 D27 R32 F44	I26-K30 HydrophobicContact CG2-CD 4.25Å; I26-K30 HydrophobicContact CG2-CG 4.49Å; I26-K30 WeakPolarHBondContact O-CB 3.44Å; I26-K30 WeakPolarHBondContact O-CG 3.19Å; I26-K30 PolarHBondContact O-N 3.41Å; D27-K30 WeakPolarHBondContact O-CB 3.08Å; D27-K30 PolarHBondContact O-N 2.73Å; K30-R32 VanDerWaalsContact C-N 3.27Å; K30-R32 PolarHBondContact O-N 2.99Å; K30-F44 VanDerWaalsContact CA-CZ 3.5Å; K30-F44 HydrophobicContact CB-CD1 4.43Å; K30-F44 HydrophobicContact CB-CE1 4.3Å; K30-F44 HydrophobicContact CB-CE2 4.45Å; K30-F44 HydrophobicContact CB-CZ 4.31Å; K30-F44 HydrophobicContact CD-CB 4.38Å; K30-F44 HydrophobicContact CD-CD1 4.07Å; K30-F44 HydrophobicContact CD-CG 4.25Å; K30-F44 VanDerWaalsContact CE-CB 3.43Å; K30-F44 HydrophobicContact CG-CB 4.03Å; K30-F44 HydrophobicContact CG-CD1 3.24Å; K30-F44 HydrophobicContact CG-CD2 3.82Å; K30-F44 HydrophobicContact CG-CE1 3.49Å; K30-F44 VanDerWaalsContact CG-CE1 3.49Å; K30-F44 HydrophobicContact CG-CE2 4.05Å; K30-F44 HydrophobicContact CG-CG 3.41Å; K30-F44 VanDerWaalsContact CG-CG 3.41Å; K30-F44 HydrophobicContact CG-CZ 3.9Å; K30-F44 VanDerWaalsContact N-CZ 3.34Å
31	R	88.1	Confident	84.6	Confident	163 Å²	163	97.5 Å²	97.5	62%	0.615	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	5.6	-177.7	-62.8	-179.7	-164.1	-159.1	11.2	113.9	D27 L28 A29 K33	D27-R31 WeakPolarHBondContact O-CB 3.48Å; D27-R31 VanDerWaalsContact O-CG 3.3Å; D27-R31 WeakPolarHBondContact O-CG 3.38Å; D27-R31 PolarHBondContact O-N 3.15Å; D27-R31 IonicContact OD1-CZ 2.63Å; D27-R31 VanDerWaalsContact OD1-CZ 3.3Å; D27-R31 IonicContact OD1-NE 3.35Å; D27-R31 PolarHBondContact OD1-NE 3.29Å; D27-R31 IonicContact OD1-NH2 3.47Å; D27-R31 PolarHBondContact OD1-NH2 3.03Å; D27-R31 IonicContact OD2-CZ 3.38Å; D27-R31 IonicContact OD2-NE 3.52Å; D27-R31 PolarHBondContact OD2-NE 2.95Å; D27-R31 IonicContact OD2-NH2 3.13Å; D27-R31 PolarHBondContact OD2-NH2 3.44Å; D27-R31 VanDerWaalsContact OD2-NH2 3.09Å; L28-R31 PolarHBondContact O-N 3.06Å; A29-R31 VanDerWaalsContact C-N 3.29Å; A29-R31 PolarHBondContact O-N 3.24Å; R31-K33 VanDerWaalsContact C-N 3.27Å; R31-K33 HydrophobicContact CB-CG 4.27Å; R31-K33 PolarHBondContact O-N 3.44Å
32	R	84.8	Confident	84	Confident	229 Å²	229	94.2 Å²	94.2	86%	0.864	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	45.1	179.9	-59.5	-176.2	-180	-178.4	-0.4	113.1	L28 A29 K30	L28-R32 PolarHBondContact O-N 2.94Å; A29-R32 PolarHBondContact O-N 3.1Å; A29-R32 VanDerWaalsContact O-N 3.12Å; K30-R32 VanDerWaalsContact C-N 3.27Å; K30-R32 PolarHBondContact O-N 2.99Å
33	K	86.6	Confident	83.8	Confident	100 Å²	100	95.7 Å²	95.7	44%	0.435	48%	0.481	S	S	.	.			trans	-67.8	141.3	177.1	-66.7	-66.9	-172.1	178.7	0	109.8	L28 R31 Q35 I36	L28-K33 HydrophobicContact CB-CB 4.48Å; L28-K33 HydrophobicContact CD2-CB 4.31Å; L28-K33 HydrophobicContact CD2-CG 3.84Å; L28-K33 PolarHBondContact O-N 3.39Å; L28-K33 VanDerWaalsContact O-N 3.12Å; R31-K33 VanDerWaalsContact C-N 3.27Å; R31-K33 HydrophobicContact CB-CG 4.27Å; R31-K33 PolarHBondContact O-N 3.44Å; K33-Q35 PolarHBondContact O-N 2.65Å; K33-I36 PolarHBondContact O-N 2.87Å
34	H	81.9	Confident	83.6	Confident	168 Å²	168	96.8 Å²	96.8	78%	0.778	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-16.2	-176.5	61.3	-86.1	0	0	0	115.3
35	Q	82.2	Confident	83	Confident	145 Å²	145	98.8 Å²	98.8	68%	0.678	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-10	179.5	-58.2	172.8	4.3	0	0	113.1	K33	K33-Q35 PolarHBondContact O-N 2.65Å
36	I	86.8	Confident	82	Confident	47 Å²	47	100.7 Å²	100.7	24%	0.241	51%	0.514	C	S	.	.			trans	-113.3	130.2	179.3	-60.5	-61.2	0	0	0	109.6	I25 L28 A29 K33	I25-I36 HydrophobicContact CG2-CD1 3.97Å; L28-I36 HydrophobicContact CB-CD1 4.26Å; L28-I36 HydrophobicContact CB-CG1 3.58Å; L28-I36 HydrophobicContact CD1-CD1 4.45Å; L28-I36 HydrophobicContact CD1-CG1 4.41Å; A29-I36 HydrophobicContact CB-CG2 3.82Å; K33-I36 PolarHBondContact O-N 2.87Å
37	Y	84.6	Confident	80.8	Confident	206 Å²	206	103.7 Å²	103.7	81%	0.808	54%	0.538	S	S	*	.			trans	-114.4	116.7	173.3	-170.2	-108.2	0	0	0	109.9	V39	Y37-V39 HydrophobicContact CD1-CG2 3.62Å; Y37-V39 HydrophobicContact CE1-CG2 3.3Å
38	S	80.3	Confident	79.3	Confident	59 Å²	59	109.6 Å²	109.6	41%	0.413	56%	0.564	S	S	.	*			trans	-102.1	129.5	177	-58.9	0	0	0	0	109.7
39	V	75.4	Confident	77.9	Confident	117 Å²	117	113 Å²	113	71%	0.709	59%	0.588	S	S	*	*			trans	-111.7	129.9	177.5	-178.6	0	0	0	0	109.3	Y37	Y37-V39 HydrophobicContact CD1-CG2 3.62Å; Y37-V39 HydrophobicContact CE1-CG2 3.3Å
40	G	75.7	Confident	77	Confident	66 Å²	66	118.9 Å²	118.9	68%	0.68	61%	0.613	S	S	*	*	S	Bend	trans	87.7	-172.5	-177.9	0	0	0	0	0	113.9	V42	G40-V42 PolarHBondContact O-N 3.18Å
41	N	71.5	Confident	76.8	Confident	160 Å²	160	117.6 Å²	117.6	86%	0.856	61%	0.611	S	S	*	*			trans	-83.9	107	176.5	-166.4	2.8	0	0	0	109.5
42	V	76.3	Confident	76.7	Confident	67 Å²	67	110.5 Å²	110.5	41%	0.406	59%	0.585	S	S	.	*			trans	-106.7	112.8	-178.9	-179.2	0	0	0	0	108.9	G40 F44	G40-V42 PolarHBondContact O-N 3.18Å; V42-F44 HydrophobicContact CG1-CE1 4.24Å; V42-F44 HydrophobicContact CG1-CZ 4.16Å
43	T	79.9	Confident	77.1	Confident	100 Å²	100	100.5 Å²	100.5	61%	0.613	55%	0.55	S	S	*	*			trans	-92.8	147.7	172	56.7	0	0	0	0	110.2
44	F	83.3	Confident	77.4	Confident	90 Å²	90	95.8 Å²	95.8	40%	0.395	53%	0.53	S	S	.	.	S	Bend	trans	-109	20.6	-176.3	-72.1	-67.9	0	0	0	113.4	I26 A29 K30 V42	I26-F44 HydrophobicContact CG2-CD1 4.24Å; I26-F44 HydrophobicContact CG2-CE1 4.44Å; A29-F44 VanDerWaalsContact C-CZ 3.45Å; A29-F44 HydrophobicContact CB-CE1 3.91Å; A29-F44 HydrophobicContact CB-CZ 3.89Å; K30-F44 VanDerWaalsContact CA-CZ 3.5Å; K30-F44 HydrophobicContact CB-CD1 4.43Å; K30-F44 HydrophobicContact CB-CE1 4.3Å; K30-F44 HydrophobicContact CB-CE2 4.45Å; K30-F44 HydrophobicContact CB-CZ 4.31Å; K30-F44 HydrophobicContact CD-CB 4.38Å; K30-F44 HydrophobicContact CD-CD1 4.07Å; K30-F44 HydrophobicContact CD-CG 4.25Å; K30-F44 VanDerWaalsContact CE-CB 3.43Å; K30-F44 HydrophobicContact CG-CB 4.03Å; K30-F44 HydrophobicContact CG-CD1 3.24Å; K30-F44 HydrophobicContact CG-CD2 3.82Å; K30-F44 HydrophobicContact CG-CE1 3.49Å; K30-F44 VanDerWaalsContact CG-CE1 3.49Å; K30-F44 HydrophobicContact CG-CE2 4.05Å; K30-F44 HydrophobicContact CG-CG 3.41Å; K30-F44 VanDerWaalsContact CG-CG 3.41Å; K30-F44 HydrophobicContact CG-CZ 3.9Å; K30-F44 VanDerWaalsContact N-CZ 3.34Å; V42-F44 HydrophobicContact CG1-CE1 4.24Å; V42-F44 HydrophobicContact CG1-CZ 4.16Å
45	S	76.9	Confident	77.9	Confident	84 Å²	84	87.8 Å²	87.8	59%	0.587	49%	0.493	S	S	*	.	S	Bend	trans	-118.5	133.1	173.6	52.2	0	0	0	0	107.8
46	C	69.4	Low	78.4	Confident	82 Å²	82	80.9 Å²	80.9	55%	0.554	46%	0.46	S	S	*	.			trans	-95.3	106.3	170	-175.2	0	0	0	0	109	C14	C14-C46 HydrophobicContact CB-CB 3.62Å; C14-C46 WeakPolarHBondContact CB-SG 3.3Å; C14-C46 WeakPolarHBondContact SG-CA 3.37Å; C14-C46 WeakPolarHBondContact SG-CB 3.43Å; C14-C46 CovalentContact SG-SG 2.02Å; C14-C46 PolarHBondContact SG-SG 2.57Å
47	S	62.4	Low	78.2	Confident	96 Å²	96	78.8 Å²	78.8	67%	0.671	45%	0.45	S	S	*	.			trans	-112	114.1	157.6	52.4	0	0	0	0	105.2
48	E	55.8	Low	78	Confident	169 Å²	169	69.9 Å²	69.9	79%	0.79	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-54.8	132.4	171.7	-75.5	-176.4	164	0	0	108.4	Q50	E48-Q50 PolarHBondContact O-N 2.94Å; E48-Q50 VanDerWaalsContact O-N 3.08Å
49	P	60.8	Low	78.2	Confident	105 Å²	105	68.5 Å²	68.5	68%	0.682	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-60.6	119.9	172.8	23.7	-29.6	0	0	0	107.6	I51	P49-I51 PolarHBondContact O-N 3.38Å; P49-I51 VanDerWaalsContact O-N 3.07Å
50	Q	67.4	Low	78.3	Confident	136 Å²	136	70 Å²	70	64%	0.636	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-57	118.1	177.7	-174.1	178.5	-18.3	0	0	108.2	E48 V52 D228	E48-Q50 PolarHBondContact O-N 2.94Å; E48-Q50 VanDerWaalsContact O-N 3.08Å; Q50-V52 HydrophobicContact CG-CG2 4.31Å; Q50-V52 PolarHBondContact O-N 2.9Å; Q50-V52 VanDerWaalsContact O-N 3.12Å; Q50-D228 PolarHBondContact NE2-OD1 3Å; Q50-D228 VanDerWaalsContact NE2-OD1 3.1Å; Q50-D228 PolarHBondContact NE2-OD2 3.18Å
51	I	82.3	Confident	78.3	Confident	81 Å²	81	67 Å²	67	42%	0.415	37%	0.368	S	S	.	.			trans	-79.1	99.9	174.8	-56.3	177.1	0	0	0	106.6	P49 P53 R200 L201	P49-I51 PolarHBondContact O-N 3.38Å; P49-I51 VanDerWaalsContact O-N 3.07Å; I51-P53 WeakPolarHBondContact O-CD 3.26Å; I51-R200 HydrophobicContact CG2-CB 3.91Å; I51-R200 HydrophobicContact CG2-CG 4.06Å; I51-L201 HydrophobicContact CD1-CD2 4.41Å; I51-L201 HydrophobicContact CG1-CD2 4.21Å; I51-L201 HydrophobicContact CG2-CD2 4.07Å; I51-L201 HydrophobicContact CG2-CG 4.06Å
52	V	86.5	Confident	79.1	Confident	14 Å²	14	59.3 Å²	59.3	9%	0.085	33%	0.327	C	S	.	.			trans	-82.2	110.1	177	-178.3	0	0	0	0	108.2	Q50 L211 I212 I227 D228	Q50-V52 HydrophobicContact CG-CG2 4.31Å; Q50-V52 PolarHBondContact O-N 2.9Å; Q50-V52 VanDerWaalsContact O-N 3.12Å; V52-L211 HydrophobicContact CB-CB 4.25Å; V52-L211 HydrophobicContact CB-CD1 4.49Å; V52-L211 HydrophobicContact CG1-CB 3.95Å; V52-L211 WeakPolarHBondContact O-CD1 3.45Å; V52-I212 HydrophobicContact CB-CD1 4.47Å; V52-I212 HydrophobicContact CG1-CD1 4.03Å; V52-I212 HydrophobicContact CG2-CD1 3.64Å; V52-I212 HydrophobicContact CG2-CG1 3.99Å; V52-I227 HydrophobicContact CG1-CG2 3.82Å; V52-D228 HydrophobicContact CG1-CB 3.95Å
53	P	92.5	Very high	79.9	Confident	19 Å²	19	57.4 Å²	57.4	12%	0.123	31%	0.313	C	S	.	.			trans	-80.9	159.6	170.9	35.2	-35.8	0	0	0	110.7	I51 W136 M199 R200 D228 C230	I51-P53 WeakPolarHBondContact O-CD 3.26Å; P53-W136 HydrophobicContact CB-CH2 4.46Å; P53-M199 CarbonylContact C-O 3.51Å; P53-M199 WeakPolarHBondContact CA-O 3.4Å; P53-R200 HydrophobicContact CB-CB 4.38Å; P53-D228 WeakPolarHBondContact O-CA 3.5Å; P53-D228 PolarHBondContact O-N 3.17Å; P53-C230 HydrophobicContact CB-CB 3.97Å; P53-C230 HydrophobicContact CG-CB 4.03Å
54	I	93.6	Very high	80.6	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	140	165.7	55.5	177.9	0	0	0	109	F56 L64 C198 M199 I202 L211 H226 I227	I54-F56 HydrophobicContact CD1-CE2 3.56Å; I54-F56 HydrophobicContact CD1-CZ 3.59Å; I54-F56 HydrophobicContact CG1-CE2 3.79Å; I54-F56 HydrophobicContact CG1-CZ 4.33Å; I54-L64 HydrophobicContact CD1-CD2 3.4Å; I54-C198 CarbonylContact O-C 3.59Å; I54-C198 WeakPolarHBondContact O-CA 3.35Å; I54-C198 WeakPolarHBondContact O-CB 3.11Å; I54-M199 HydrophobicContact CD1-CB 4.24Å; I54-M199 HydrophobicContact CG1-CB 3.96Å; I54-M199 WeakPolarHBondContact CG1-O 3.47Å; I54-M199 PolarHBondContact N-O 3Å; I54-M199 PolarHBondContact O-N 2.7Å; I54-I202 HydrophobicContact CD1-CD1 3.9Å; I54-L211 HydrophobicContact CG2-CD1 4.11Å; I54-L211 HydrophobicContact CG2-CD2 4.21Å; I54-H226 CarbonylContact C-O 3.6Å; I54-H226 VanDerWaalsContact CA-O 3.31Å; I54-H226 WeakPolarHBondContact CA-O 3.34Å; I54-I227 HydrophobicContact CG2-CB 4.37Å; I54-I227 HydrophobicContact CG2-CG1 4Å; I54-I227 HydrophobicContact CG2-CG2 4.18Å
55	T	92.8	Very high	81.2	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.8	170.3	-55.9	0	0	0	0	109.3	V57 G197 L225 H226 L229 C230 S231 W251	T55-V57 HydrophobicContact CG2-CG1 3.76Å; T55-G197 CarbonylContact C-O 3.53Å; T55-G197 WeakPolarHBondContact CA-O 3.45Å; T55-L225 VanDerWaalsContact O-CA 3.29Å; T55-L225 WeakPolarHBondContact O-CA 3.34Å; T55-H226 PolarHBondContact N-O 2.5Å; T55-H226 PolarHBondContact O-N 3.32Å; T55-L229 PolarHBondContact OG1-O 3.3Å; T55-C230 VanDerWaalsContact OG1-CA 3.26Å; T55-C230 WeakPolarHBondContact OG1-CA 2.99Å; T55-S231 PolarHBondContact OG1-N 2.61Å; T55-W251 HydrophobicContact CG2-CH2 3.61Å; T55-W251 HydrophobicContact CG2-CZ2 4.3Å
56	F	92.6	Very high	82.1	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	115.4	165.7	-60.6	-101.2	0	0	0	107.6	I54 L64 F176 F195 Q196 G197 M199 L225	I54-F56 HydrophobicContact CD1-CE2 3.56Å; I54-F56 HydrophobicContact CD1-CZ 3.59Å; I54-F56 HydrophobicContact CG1-CE2 3.79Å; I54-F56 HydrophobicContact CG1-CZ 4.33Å; F56-L64 HydrophobicContact CE1-CB 4.12Å; F56-L64 HydrophobicContact CZ-CB 4.14Å; F56-F176 VanDerWaalsContact CE1-O 3.25Å; F56-F176 WeakPolarHBondContact CE1-O 3.41Å; F56-F176 HydrophobicContact CZ-CB 4.11Å; F56-F195 HydrophobicContact CB-CD1 4.08Å; F56-F195 WeakPolarHBondContact CB-O 3.02Å; F56-F195 AromaticContact CD2-CD1 3.69Å; F56-F195 HydrophobicContact CD2-CD1 3.69Å; F56-F195 AromaticContact CD2-CE1 3.95Å; F56-F195 HydrophobicContact CD2-CE1 3.95Å; F56-F195 HydrophobicContact CE2-CD1 4.35Å; F56-F195 AromaticContact CG-CD1 3.93Å; F56-F195 HydrophobicContact CG-CD1 3.93Å; F56-Q196 VanDerWaalsContact O-CA 3.31Å; F56-Q196 WeakPolarHBondContact O-CA 3.23Å; F56-G197 PolarHBondContact N-O 2.93Å; F56-G197 PolarHBondContact O-N 2.92Å; F56-G197 VanDerWaalsContact O-N 3.09Å; F56-M199 HydrophobicContact CD2-CG 4.29Å; F56-M199 HydrophobicContact CE2-CB 3.95Å; F56-M199 HydrophobicContact CE2-CE 4.08Å; F56-M199 HydrophobicContact CE2-CG 3.61Å; F56-M199 HydrophobicContact CE2-SD 3.65Å; F56-M199 HydrophobicContact CZ-CE 4.38Å; F56-M199 HydrophobicContact CZ-CG 4.47Å; F56-M199 HydrophobicContact CZ-SD 3.94Å; F56-L225 HydrophobicContact CB-CD2 4.23Å; F56-L225 HydrophobicContact CD1-CD2 3.26Å; F56-L225 HydrophobicContact CD2-CD2 4.37Å; F56-L225 HydrophobicContact CE1-CD2 3.52Å; F56-L225 HydrophobicContact CG-CD2 3.72Å; F56-L225 HydrophobicContact CZ-CD2 4.2Å
57	V	81.4	Confident	83.2	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.012	24%	0.236	C	C	.	.			trans	-99.7	-22.2	-170.3	-64.9	0	0	0	0	113.8	T55 S62 Q196 D224 H226 W251 D815 S816	T55-V57 HydrophobicContact CG2-CG1 3.76Å; V57-S62 PolarHBondContact N-OG 3.11Å; V57-Q196 PolarHBondContact O-NE2 3.46Å; V57-D224 HydrophobicContact CG2-CB 4.18Å; V57-D224 VanDerWaalsContact CG2-O 3.3Å; V57-D224 WeakPolarHBondContact CG2-O 3.46Å; V57-D224 PolarHBondContact N-O 2.96Å; V57-H226 VanDerWaalsContact CG1-CD2 3.44Å; V57-H226 WeakPolarHBondContact CG1-CD2 3.46Å; V57-W251 HydrophobicContact CG1-CZ2 4.41Å; V57-D815 HydrophobicContact CB-CB 3.93Å; V57-D815 HydrophobicContact CG1-CB 4.35Å; V57-D815 HydrophobicContact CG2-CB 4.15Å; V57-S816 WeakPolarHBondContact CG2-OG 2.97Å
58	N	80.6	Confident	84.4	Confident	20 Å²	20	40.9 Å²	40.9	11%	0.107	21%	0.212	C	C	.	.			trans	-118.6	121.6	-172.3	-170.4	-30.6	0	0	0	111.8	R60 S61 S62 D224	N58-R60 PolarHBondContact O-N 3.36Å; N58-R60 VanDerWaalsContact O-N 3.14Å; N58-R60 PolarHBondContact OD1-N 3.19Å; N58-S61 VanDerWaalsContact CG-OG 3.23Å; N58-S61 PolarHBondContact ND2-OG 2.9Å; N58-S62 WeakPolarHBondContact CA-OG 3.48Å; N58-S62 WeakPolarHBondContact CB-OG 3.37Å; N58-S62 PolarHBondContact N-OG 3.46Å; N58-S62 WeakPolarHBondContact O-CB 3.3Å; N58-S62 PolarHBondContact O-N 2.85Å; N58-S62 PolarHBondContact O-OG 3.36Å; N58-D224 HydrophobicContact CB-CB 3.92Å; N58-D224 PolarHBondContact ND2-OD2 3.14Å
59	S	84.2	Confident	85.7	Confident	30 Å²	30	36 Å²	36	21%	0.21	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	1.4	179.2	64	0	0	0	0	116	A194	S59-A194 WeakPolarHBondContact CA-O 3.32Å; S59-A194 WeakPolarHBondContact O-CB 3.19Å; S59-A194 PolarHBondContact O-N 3.04Å
60	R	78.6	Confident	86.4	Confident	147 Å²	147	33.1 Å²	33.1	56%	0.555	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112	-53.9	177.7	-62.5	-175.2	-177.7	-178.5	1.4	111.8	N58 N190	N58-R60 PolarHBondContact O-N 3.36Å; N58-R60 VanDerWaalsContact O-N 3.14Å; N58-R60 PolarHBondContact OD1-N 3.19Å; R60-N190 PolarHBondContact O-ND2 3.35Å
61	S	76.4	Confident	86.6	Confident	3 Å²	3	33.3 Å²	33.3	2%	0.021	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-7.8	-165.9	43.5	0	0	0	0	114.9	N58 Y63 D181 D224	N58-S61 VanDerWaalsContact CG-OG 3.23Å; N58-S61 PolarHBondContact ND2-OG 2.9Å; S61-Y63 VanDerWaalsContact O-CD1 3.32Å; S61-Y63 WeakPolarHBondContact O-CD1 3.18Å; S61-Y63 PolarHBondContact O-N 3.34Å; S61-D181 WeakPolarHBondContact CB-OD2 3.34Å; S61-D224 WeakPolarHBondContact CB-OD2 3.5Å; S61-D224 PolarHBondContact OG-OD2 3.38Å
62	S	88.3	Confident	86.4	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.173	C	C	.	.			trans	-66.8	125.2	179.4	-71.4	0	0	0	0	111.7	V57 N58 G177 G178 S223 D224	V57-S62 PolarHBondContact N-OG 3.11Å; N58-S62 WeakPolarHBondContact CA-OG 3.48Å; N58-S62 WeakPolarHBondContact CB-OG 3.37Å; N58-S62 PolarHBondContact N-OG 3.46Å; N58-S62 WeakPolarHBondContact O-CB 3.3Å; N58-S62 PolarHBondContact O-N 2.85Å; N58-S62 PolarHBondContact O-OG 3.36Å; S62-G177 CarbonylContact O-C 3.6Å; S62-G178 VanDerWaalsContact O-CA 3.31Å; S62-G178 WeakPolarHBondContact O-CA 3.46Å; S62-G178 PolarHBondContact O-N 3.12Å; S62-S223 WeakPolarHBondContact CA-O 3.41Å; S62-D224 VanDerWaalsContact OG-CB 3.24Å; S62-D224 WeakPolarHBondContact OG-CB 3.27Å; S62-D224 PolarHBondContact OG-O 2.97Å
63	Y	92.4	Very high	86	Confident	26 Å²	26	37 Å²	37	10%	0.102	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	156.9	171.9	72	-91	0	0	0	111.8	S61 L65 Y175 F176 G178 P180 N221 F222 S223	S61-Y63 VanDerWaalsContact O-CD1 3.32Å; S61-Y63 WeakPolarHBondContact O-CD1 3.18Å; S61-Y63 PolarHBondContact O-N 3.34Å; Y63-L65 HydrophobicContact CD2-CB 4.22Å; Y63-L65 HydrophobicContact CE2-CB 4.17Å; Y63-Y175 HydrophobicContact CD2-CD1 4.2Å; Y63-Y175 HydrophobicContact CD2-CE1 4.38Å; Y63-F176 WeakPolarHBondContact CA-O 3.42Å; Y63-G178 WeakPolarHBondContact CB-O 3.48Å; Y63-P180 HydrophobicContact CD1-CB 4.33Å; Y63-P180 HydrophobicContact CD1-CG 4.12Å; Y63-P180 HydrophobicContact CD2-CG 4.41Å; Y63-P180 HydrophobicContact CE1-CB 3.87Å; Y63-P180 HydrophobicContact CE1-CG 3.81Å; Y63-P180 HydrophobicContact CE2-CG 4.12Å; Y63-P180 HydrophobicContact CG-CG 4.43Å; Y63-N221 PolarHBondContact OH-ND2 3.46Å; Y63-F222 VanDerWaalsContact O-CA 3.25Å; Y63-F222 WeakPolarHBondContact O-CA 2.94Å; Y63-F222 WeakPolarHBondContact O-CB 3Å; Y63-S223 PolarHBondContact N-O 3.49Å; Y63-S223 PolarHBondContact O-N 3.09Å; Y63-S223 VanDerWaalsContact O-N 3.07Å
64	L	95.3	Very high	85.6	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	115	166.9	173.8	58.6	0	0	0	109.3	I54 F56 L66 Y175 F176 I202 L211 V214 F222 L225	I54-L64 HydrophobicContact CD1-CD2 3.4Å; F56-L64 HydrophobicContact CE1-CB 4.12Å; F56-L64 HydrophobicContact CZ-CB 4.14Å; L64-L66 HydrophobicContact CD1-CD2 4.14Å; L64-L66 HydrophobicContact CD1-CG 4.14Å; L64-L66 HydrophobicContact CD2-CD1 3.89Å; L64-L66 HydrophobicContact CD2-CG 4.19Å; L64-L66 HydrophobicContact CG-CD1 4.13Å; L64-L66 HydrophobicContact CG-CD2 4.41Å; L64-L66 HydrophobicContact CG-CG 3.91Å; L64-Y175 CarbonylContact O-C 3.55Å; L64-Y175 WeakPolarHBondContact O-CA 3.42Å; L64-F176 HydrophobicContact CB-CB 4.19Å; L64-F176 PolarHBondContact N-O 3.16Å; L64-F176 PolarHBondContact O-N 3.05Å; L64-I202 HydrophobicContact CD2-CD1 4.03Å; L64-L211 HydrophobicContact CD2-CD2 4Å; L64-V214 HydrophobicContact CD1-CG1 3.72Å; L64-V214 HydrophobicContact CD1-CG2 4.41Å; L64-F222 HydrophobicContact CD1-CB 4.09Å; L64-L225 HydrophobicContact CB-CD1 3.83Å; L64-L225 HydrophobicContact CD1-CD1 4.29Å; L64-L225 HydrophobicContact CG-CD1 4.48Å
65	L	94.9	Very high	85.3	Confident	33 Å²	33	36.3 Å²	36.3	17%	0.173	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	119.9	173.8	173.4	59	0	0	0	109.9	Y63 Y174 Y175 G220 N221	Y63-L65 HydrophobicContact CD2-CB 4.22Å; Y63-L65 HydrophobicContact CE2-CB 4.17Å; L65-Y174 WeakPolarHBondContact CA-O 3.36Å; L65-Y175 HydrophobicContact CB-CD1 4.21Å; L65-Y175 HydrophobicContact CB-CE1 4.06Å; L65-Y175 HydrophobicContact CD1-CD1 4.18Å; L65-Y175 HydrophobicContact CD1-CD2 4.18Å; L65-Y175 HydrophobicContact CD1-CE1 3.89Å; L65-Y175 HydrophobicContact CD1-CE2 3.9Å; L65-Y175 HydrophobicContact CD1-CG 4.31Å; L65-Y175 HydrophobicContact CD2-CE1 4.16Å; L65-Y175 HydrophobicContact CG-CE1 4.25Å; L65-G220 CarbonylContact O-C 3.5Å; L65-G220 WeakPolarHBondContact O-CA 3.44Å; L65-N221 WeakPolarHBondContact CA-O 3.22Å; L65-N221 HydrophobicContact CB-CB 4.24Å; L65-N221 WeakPolarHBondContact CB-O 3.4Å; L65-N221 HydrophobicContact CD2-CB 4.26Å; L65-N221 PolarHBondContact N-O 2.95Å; L65-N221 PolarHBondContact O-N 2.92Å
66	L	95.3	Very high	85.3	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	143.6	177	-69	170.5	0	0	0	111.9	L64 Y174 F176 I202 I204 K209 V214 L219	L64-L66 HydrophobicContact CD1-CD2 4.14Å; L64-L66 HydrophobicContact CD1-CG 4.14Å; L64-L66 HydrophobicContact CD2-CD1 3.89Å; L64-L66 HydrophobicContact CD2-CG 4.19Å; L64-L66 HydrophobicContact CG-CD1 4.13Å; L64-L66 HydrophobicContact CG-CD2 4.41Å; L64-L66 HydrophobicContact CG-CG 3.91Å; L66-Y174 PolarHBondContact N-O 3.26Å; L66-Y174 PolarHBondContact O-N 2.95Å; L66-F176 HydrophobicContact CD1-CD2 4.19Å; L66-F176 HydrophobicContact CD1-CE2 4.05Å; L66-I202 HydrophobicContact CD1-CG2 4.04Å; L66-I204 HydrophobicContact CB-CD1 3.87Å; L66-I204 HydrophobicContact CD1-CD1 4.37Å; L66-K209 HydrophobicContact CD1-CB 4Å; L66-K209 HydrophobicContact CD1-CG 4.07Å; L66-V214 HydrophobicContact CD2-CG2 3.82Å; L66-L219 HydrophobicContact CD2-CD2 4.38Å; L66-L219 HydrophobicContact CD2-CG 4.29Å
67	P	92.7	Very high	85.4	Confident	56 Å²	56	36.9 Å²	36.9	36%	0.364	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	140.5	178.3	30.1	-34.1	0	0	0	111.9	K209 L219	P67-K209 PolarHBondContact O-NZ 3.17Å; P67-L219 HydrophobicContact CG-CD1 3.67Å
68	G	87.6	Confident	86.1	Confident	16 Å²	16	38 Å²	38	17%	0.165	20%	0.204	C	C	.	.			trans	-93.6	177.4	171.8	0	0	0	0	0	114.5	Y172	G68-Y172 PolarHBondContact N-O 3.45Å
69	T	84.3	Confident	86.9	Confident	65 Å²	65	37.2 Å²	37.2	40%	0.399	20%	0.199	S	C	.	.			trans	-112.3	94.4	166.5	28.3	0	0	0	0	108.7	I72 S170 D205	T69-I72 VanDerWaalsContact OG1-CD1 3.3Å; T69-I72 WeakPolarHBondContact OG1-CD1 3.27Å; T69-S170 WeakPolarHBondContact O-CB 3.42Å; T69-S170 PolarHBondContact O-OG 2.97Å; T69-D205 PolarHBondContact OG1-OD2 3.19Å
70	P	74.3	Confident	87.5	Confident	46 Å²	46	37.7 Å²	37.7	30%	0.299	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	163.3	-175.3	31.4	-38.9	0	0	0	111.8	I72 Y172	P70-I72 VanDerWaalsContact C-N 3.28Å; P70-I72 PolarHBondContact O-N 2.85Å; P70-Y172 HydrophobicContact CB-CD1 3.54Å; P70-Y172 HydrophobicContact CB-CD2 4.32Å; P70-Y172 HydrophobicContact CB-CE1 3.35Å; P70-Y172 HydrophobicContact CB-CE2 4.14Å; P70-Y172 HydrophobicContact CB-CG 4.02Å; P70-Y172 HydrophobicContact CG-CD1 3.51Å; P70-Y172 HydrophobicContact CG-CE1 3.36Å; P70-Y172 HydrophobicContact CG-CG 4.41Å
71	Q	71.8	Confident	88.4	Confident	139 Å²	139	30.7 Å²	30.7	65%	0.65	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	69	14.8	176.9	-52.5	175.1	-0.7	0	0	115.7
72	I	78.2	Confident	89.4	Confident	71 Å²	71	33.3 Å²	33.3	36%	0.364	18%	0.181	S	C	.	.			trans	-79.4	133.6	167.6	-61.7	178.1	0	0	0	108.2	T69 P70 G74 S170 D205	T69-I72 VanDerWaalsContact OG1-CD1 3.3Å; T69-I72 WeakPolarHBondContact OG1-CD1 3.27Å; P70-I72 VanDerWaalsContact C-N 3.28Å; P70-I72 PolarHBondContact O-N 2.85Å; I72-G74 PolarHBondContact O-N 2.86Å; I72-S170 WeakPolarHBondContact CB-OG 3.38Å; I72-S170 PolarHBondContact N-OG 2.86Å; I72-S170 PolarHBondContact O-N 2.84Å; I72-D205 HydrophobicContact CD1-CB 4.14Å
73	D	79.1	Confident	89.7	Confident	101 Å²	101	33.3 Å²	33.3	54%	0.54	18%	0.181	S	C	.	.	B	Isolated β-bridge	trans	-67.1	97.9	170.9	177.6	15.6	0	0	0	109.2
74	G	83.4	Confident	89.8	Confident	4 Å²	4	33.7 Å²	33.7	4%	0.041	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	101	176.6	-174.9	0	0	0	0	0	114.8	I72 A143 I168 S170	I72-G74 PolarHBondContact O-N 2.86Å; G74-A143 CarbonylContact C-O 3.48Å; G74-A143 WeakPolarHBondContact CA-O 3.1Å; G74-I168 WeakPolarHBondContact CA-O 3.14Å; G74-I168 PolarHBondContact N-O 2.77Å; G74-I168 VanDerWaalsContact N-O 3.1Å; G74-S170 PolarHBondContact O-N 2.9Å
75	L	88.5	Confident	89.6	Confident	3 Å²	3	34.8 Å²	34.8	2%	0.016	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	137.6	-177.3	169.6	62.1	0	0	0	109.2	V77 L95 L102 N142 A143 I168 Y174	L75-V77 HydrophobicContact CD1-CG2 3.55Å; L75-V77 HydrophobicContact CD2-CG2 4.25Å; L75-V77 HydrophobicContact CG-CG2 3.93Å; L75-L95 HydrophobicContact CD2-CD2 4.25Å; L75-L102 HydrophobicContact CD2-CD1 3.98Å; L75-N142 CarbonylContact O-C 3.58Å; L75-N142 WeakPolarHBondContact O-CA 3.45Å; L75-A143 HydrophobicContact CB-CB 4.16Å; L75-A143 PolarHBondContact N-O 3.04Å; L75-A143 PolarHBondContact O-N 3.36Å; L75-I168 HydrophobicContact CB-CG2 4.4Å; L75-Y174 HydrophobicContact CD1-CE1 3.64Å; L75-Y174 WeakPolarHBondContact CD1-OH 3.15Å; L75-Y174 HydrophobicContact CD2-CE1 4.34Å
76	S	91.6	Very high	89.6	Confident	12 Å²	12	38.6 Å²	38.6	8%	0.084	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	111.9	170.5	-169.9	0	0	0	0	110.5	I141 I204 D205 N206	S76-I141 CarbonylContact C-O 3.59Å; S76-I141 WeakPolarHBondContact CA-O 3.31Å; S76-I204 CarbonylContact O-C 3.55Å; S76-D205 PolarHBondContact N-OD1 3.02Å; S76-D205 WeakPolarHBondContact O-CA 3.44Å; S76-D205 PolarHBondContact O-N 3.41Å; S76-N206 PolarHBondContact OG-OD1 3.29Å
77	V	95.2	Very high	89.5	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.5	177.4	-174	0	0	0	0	109.2	L75 F79 L91 I141 Y174 F176 F203	L75-V77 HydrophobicContact CD1-CG2 3.55Å; L75-V77 HydrophobicContact CD2-CG2 4.25Å; L75-V77 HydrophobicContact CG-CG2 3.93Å; V77-F79 HydrophobicContact CG1-CD1 4.33Å; V77-L91 HydrophobicContact CB-CD2 4.2Å; V77-L91 HydrophobicContact CG1-CD2 3.82Å; V77-L91 HydrophobicContact CG2-CD2 4.38Å; V77-I141 PolarHBondContact N-O 3.37Å; V77-I141 PolarHBondContact O-N 3.37Å; V77-Y174 HydrophobicContact CG2-CD1 4.16Å; V77-Y174 HydrophobicContact CG2-CE1 3.84Å; V77-F176 HydrophobicContact CG1-CE1 4.1Å; V77-F176 HydrophobicContact CG1-CZ 3.86Å; V77-F203 WeakPolarHBondContact CA-O 3.4Å
78	S	95.5	Very high	89.6	Confident	26 Å²	26	39.2 Å²	39.2	18%	0.182	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	142.5	174.1	66.6	0	0	0	0	112	V139 I202 F203	S78-V139 CarbonylContact C-O 3.57Å; S78-V139 WeakPolarHBondContact CA-O 2.99Å; S78-V139 WeakPolarHBondContact CB-O 3.42Å; S78-I202 CarbonylContact O-C 3.54Å; S78-F203 PolarHBondContact N-O 3.23Å; S78-F203 PolarHBondContact O-N 3.34Å; S78-F203 WeakPolarHBondContact OG-CB 3.46Å
79	F	97.3	Very high	89.9	Confident	3 Å²	3	38.4 Å²	38.4	1%	0.013	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	164.1	177.5	60.5	-85.1	0	0	0	110.1	V77 F81 L90 L104 V139 F176 M199 L201 I202	V77-F79 HydrophobicContact CG1-CD1 4.33Å; F79-F81 HydrophobicContact CD2-CB 4.32Å; F79-F81 HydrophobicContact CE2-CB 4.16Å; F79-F81 HydrophobicContact CE2-CD1 4.1Å; F79-F81 HydrophobicContact CE2-CG 4.48Å; F79-L90 HydrophobicContact CE2-CB 4.42Å; F79-L90 HydrophobicContact CZ-CB 4.05Å; F79-L90 HydrophobicContact CZ-CD1 4.47Å; F79-L104 HydrophobicContact CE1-CD2 4.19Å; F79-L104 HydrophobicContact CZ-CD2 3.73Å; F79-V139 HydrophobicContact CE1-CB 4.22Å; F79-V139 HydrophobicContact CE1-CG1 4.13Å; F79-V139 HydrophobicContact CE2-CB 4.33Å; F79-V139 HydrophobicContact CE2-CG2 4.39Å; F79-V139 HydrophobicContact CZ-CB 4.1Å; F79-V139 HydrophobicContact CZ-CG1 4.19Å; F79-V139 HydrophobicContact CZ-CG2 4.39Å; F79-V139 PolarHBondContact N-O 3.3Å; F79-V139 PolarHBondContact O-N 3.33Å; F79-F176 HydrophobicContact CD1-CD1 4.38Å; F79-F176 AromaticContact CD1-CE1 3.76Å; F79-F176 HydrophobicContact CD1-CE1 3.76Å; F79-F176 HydrophobicContact CE1-CE1 4.16Å; F79-F176 HydrophobicContact CG-CE1 4.25Å; F79-M199 HydrophobicContact CD2-CG 4.38Å; F79-M199 HydrophobicContact CD2-SD 4.03Å; F79-M199 HydrophobicContact CE2-CE 4.24Å; F79-M199 HydrophobicContact CE2-SD 4.16Å; F79-L201 WeakPolarHBondContact CA-O 3.41Å; F79-I202 HydrophobicContact CB-CG1 3.97Å
80	Q	97.6	Very high	90.6	Very high	40 Å²	40	35.3 Å²	35.3	19%	0.187	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	142.6	167.4	-66.8	-175	-9.8	0	0	110	W136 H137 M199 R200 L201	Q80-W136 HydrophobicContact CB-CE3 3.86Å; Q80-W136 HydrophobicContact CB-CZ3 4.33Å; Q80-H137 CarbonylContact C-O 3.51Å; Q80-H137 WeakPolarHBondContact CA-O 3.45Å; Q80-M199 CarbonylContact O-C 3.59Å; Q80-M199 WeakPolarHBondContact O-CA 3.29Å; Q80-R200 HydrophobicContact CB-CG 3.92Å; Q80-R200 PolarHBondContact N-O 2.97Å; Q80-R200 PolarHBondContact O-N 3.26Å; Q80-L201 HydrophobicContact CG-CD1 4.33Å
81	F	97.9	Very high	91.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	155.9	173.3	78.7	-82	0	0	0	111.9	F79 T83 L90 L106 L111 L131 W136 H137 V139 F195 C198 M199	F79-F81 HydrophobicContact CD2-CB 4.32Å; F79-F81 HydrophobicContact CE2-CB 4.16Å; F79-F81 HydrophobicContact CE2-CD1 4.1Å; F79-F81 HydrophobicContact CE2-CG 4.48Å; F81-T83 HydrophobicContact CD2-CG2 4.47Å; F81-T83 HydrophobicContact CE2-CG2 4.41Å; F81-L90 HydrophobicContact CD1-CD1 4.23Å; F81-L90 HydrophobicContact CD2-CD2 4.29Å; F81-L90 HydrophobicContact CE1-CD1 4.12Å; F81-L90 HydrophobicContact CE2-CD1 4.44Å; F81-L90 HydrophobicContact CG-CD1 4.44Å; F81-L90 HydrophobicContact CG-CD2 4.39Å; F81-L90 HydrophobicContact CZ-CD1 4.23Å; F81-L106 HydrophobicContact CE2-CD1 4.43Å; F81-L106 HydrophobicContact CE2-CD2 4.23Å; F81-L106 HydrophobicContact CZ-CD1 4.36Å; F81-L111 HydrophobicContact CE1-CD1 4.28Å; F81-L111 HydrophobicContact CE1-CD2 4.18Å; F81-L111 HydrophobicContact CZ-CD2 4.06Å; F81-L131 HydrophobicContact CZ-CB 4.13Å; F81-L131 HydrophobicContact CZ-CD1 4.41Å; F81-W136 WeakPolarHBondContact O-CA 3.3Å; F81-H137 HydrophobicContact CD1-CB 4.25Å; F81-H137 HydrophobicContact CE1-CB 3.8Å; F81-H137 HydrophobicContact CZ-CB 4.08Å; F81-H137 PolarHBondContact N-O 3.42Å; F81-H137 PolarHBondContact O-N 2.89Å; F81-V139 HydrophobicContact CD1-CG2 3.66Å; F81-V139 HydrophobicContact CE1-CG2 3.46Å; F81-V139 VanDerWaalsContact CE1-CG2 3.46Å; F81-F195 HydrophobicContact CB-CZ 4.06Å; F81-F195 AromaticContact CD2-CE2 3.98Å; F81-F195 HydrophobicContact CD2-CE2 3.98Å; F81-F195 HydrophobicContact CD2-CZ 4.05Å; F81-C198 CarbonylContact C-O 3.08Å; F81-C198 WeakPolarHBondContact CA-O 3.47Å; F81-M199 HydrophobicContact CB-CG 4.1Å
82	R	96.2	Very high	92.6	Very high	57 Å²	57	26.9 Å²	26.9	22%	0.215	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	142.5	165.4	66	172.8	-173.6	166	2.6	111.3	G134 Q135 W136 G197 C198 C230 I232	R82-G134 WeakPolarHBondContact CD-O 3.06Å; R82-Q135 WeakPolarHBondContact CB-O 3.16Å; R82-W136 HydrophobicContact CB-CD2 4.13Å; R82-W136 HydrophobicContact CB-CE3 4.07Å; R82-W136 HydrophobicContact CB-CG 4.48Å; R82-W136 VanDerWaalsContact CD-CE2 3.49Å; R82-W136 HydrophobicContact CG-CD2 3.88Å; R82-W136 HydrophobicContact CG-CE3 3.93Å; R82-W136 HydrophobicContact CG-CH2 4.07Å; R82-W136 HydrophobicContact CG-CZ2 3.98Å; R82-W136 HydrophobicContact CG-CZ3 4.03Å; R82-G197 CarbonylContact O-C 3.54Å; R82-G197 WeakPolarHBondContact O-CA 3.25Å; R82-C198 HydrophobicContact CG-CB 4.05Å; R82-C198 PolarHBondContact N-O 2.94Å; R82-C198 PolarHBondContact O-N 3.29Å; R82-C230 VanDerWaalsContact CZ-SG 3.5Å; R82-C230 PolarHBondContact NE-SG 3.4Å; R82-C230 PolarHBondContact NH2-SG 2.86Å; R82-I232 HydrophobicContact CG-CD1 3.96Å
83	T	95.3	Very high	93.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.119	C	C	.	.			trans	-156.5	163.8	-179.7	-173	0	0	0	0	111.9	F81 N85 L106 N132 G134 F195 Q196	F81-T83 HydrophobicContact CD2-CG2 4.47Å; F81-T83 HydrophobicContact CE2-CG2 4.41Å; T83-N85 VanDerWaalsContact CG2-O 3.3Å; T83-N85 WeakPolarHBondContact CG2-O 3.36Å; T83-N85 PolarHBondContact OG1-N 2.81Å; T83-L106 HydrophobicContact CG2-CD2 3.67Å; T83-N132 HydrophobicContact CG2-CB 4.33Å; T83-N132 CarbonylContact O-C 3.55Å; T83-N132 VanDerWaalsContact O-CA 3.25Å; T83-N132 WeakPolarHBondContact O-CA 3.14Å; T83-G134 PolarHBondContact O-N 2.76Å; T83-F195 HydrophobicContact CG2-CE2 3.76Å; T83-F195 HydrophobicContact CG2-CZ 4.46Å; T83-Q196 WeakPolarHBondContact CB-O 3.17Å; T83-Q196 PolarHBondContact OG1-O 2.94Å
84	W	93.3	Very high	93.8	Very high	34 Å²	34	22.6 Å²	22.6	13%	0.129	11%	0.111	C	C	.	.	S	Bend	trans	-100	-12.9	165.3	-63.5	123	0	0	0	112.6	N133 K233 D234 Q249	W84-N133 WeakPolarHBondContact CH2-O 3.39Å; W84-N133 VanDerWaalsContact CZ3-O 3.22Å; W84-N133 WeakPolarHBondContact CZ3-O 3.49Å; W84-K233 PolarHBondContact NE1-O 2.83Å; W84-K233 VanDerWaalsContact NE1-O 3.16Å; W84-D234 HydrophobicContact CZ2-CB 3.97Å; W84-Q249 HydrophobicContact CB-CG 4.3Å; W84-Q249 HydrophobicContact CD2-CG 3.89Å; W84-Q249 HydrophobicContact CE3-CG 3.82Å; W84-Q249 HydrophobicContact CG-CG 4.11Å; W84-Q249 VanDerWaalsContact CH2-NE2 3.28Å; W84-Q249 HydrophobicContact CZ3-CG 4.41Å; W84-Q249 VanDerWaalsContact CZ3-NE2 3.3Å
85	N	92.4	Very high	93.9	Very high	24 Å²	24	22.5 Å²	22.5	13%	0.128	11%	0.11	C	C	.	.			trans	-85	137.1	-178	-72.6	-0.2	0	0	0	110.9	T83 D87 L106 N132 Q196 W251	T83-N85 VanDerWaalsContact CG2-O 3.3Å; T83-N85 WeakPolarHBondContact CG2-O 3.36Å; T83-N85 PolarHBondContact OG1-N 2.81Å; N85-D87 VanDerWaalsContact C-N 3.3Å; N85-D87 PolarHBondContact O-N 2.8Å; N85-L106 WeakPolarHBondContact O-CD2 3.45Å; N85-N132 WeakPolarHBondContact O-CB 3.04Å; N85-Q196 PolarHBondContact ND2-OE1 3.04Å; N85-W251 PolarHBondContact OD1-N 3.26Å
86	E	93.4	Very high	93.7	Very high	112 Å²	112	22.5 Å²	22.5	52%	0.523	11%	0.11	S	C	.	.	S	Bend	trans	-71.7	-24.7	178.4	-70.2	-179.4	175.5	0	0	113.4	L106 G108 G109 N132	E86-L106 WeakPolarHBondContact O-CG 3.46Å; E86-G108 PolarHBondContact O-N 2.79Å; E86-G109 PolarHBondContact O-N 2.9Å; E86-N132 WeakPolarHBondContact CG-ND2 3.48Å
87	D	93.9	Very high	93.1	Very high	70 Å²	70	28.1 Å²	28.1	37%	0.374	14%	0.135	S	C	.	.			trans	-125.6	140.1	-174.8	-55.7	-43.9	0	0	0	112	N85 L106 E107 G108 I192	N85-D87 VanDerWaalsContact C-N 3.3Å; N85-D87 PolarHBondContact O-N 2.8Å; D87-L106 CarbonylContact C-O 3.57Å; D87-L106 WeakPolarHBondContact CA-O 3.26Å; D87-E107 WeakPolarHBondContact OD1-CA 3.4Å; D87-G108 PolarHBondContact OD1-N 2.94Å; D87-I192 HydrophobicContact CB-CD1 4.01Å
88	G	94.1	Very high	91.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.3	141.5	170.1	0	0	0	0	0	114.4	L90 L106 I192 K193	G88-L90 PolarHBondContact O-N 3.17Å; G88-L106 PolarHBondContact N-O 3.48Å; G88-L106 PolarHBondContact O-N 3.03Å; G88-I192 VanDerWaalsContact N-CD1 3.26Å; G88-K193 WeakPolarHBondContact CA-O 3.39Å
89	L	95.4	Very high	90.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	116.6	172	178.2	65.3	0	0	0	110.2	L103 I105 G177 N190 K193 F195	L89-L103 HydrophobicContact CD1-CD2 3.96Å; L89-I105 HydrophobicContact CD1-CG1 4.02Å; L89-G177 CarbonylContact O-C 3.43Å; L89-G177 WeakPolarHBondContact O-CA 3.47Å; L89-G177 VanDerWaalsContact O-O 3.13Å; L89-N190 WeakPolarHBondContact CD2-OD1 3.46Å; L89-K193 PolarHBondContact N-O 3.28Å; L89-F195 VanDerWaalsContact O-CB 3.27Å; L89-F195 WeakPolarHBondContact O-CB 3.46Å
90	L	97.3	Very high	90.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-42.7	-178.8	-61.5	179.5	0	0	0	112.9	F79 F81 G88 L104 L106 L111 F176 G177 F195 M199	F79-L90 HydrophobicContact CE2-CB 4.42Å; F79-L90 HydrophobicContact CZ-CB 4.05Å; F79-L90 HydrophobicContact CZ-CD1 4.47Å; F81-L90 HydrophobicContact CD1-CD1 4.23Å; F81-L90 HydrophobicContact CD2-CD2 4.29Å; F81-L90 HydrophobicContact CE1-CD1 4.12Å; F81-L90 HydrophobicContact CE2-CD1 4.44Å; F81-L90 HydrophobicContact CG-CD1 4.44Å; F81-L90 HydrophobicContact CG-CD2 4.39Å; F81-L90 HydrophobicContact CZ-CD1 4.23Å; G88-L90 PolarHBondContact O-N 3.17Å; L90-L104 HydrophobicContact CB-CD2 4.04Å; L90-L104 HydrophobicContact CB-CG 4.33Å; L90-L104 HydrophobicContact CD1-CD2 3.95Å; L90-L104 HydrophobicContact CD1-CG 4.32Å; L90-L104 PolarHBondContact N-O 3.37Å; L90-L106 HydrophobicContact CD1-CB 4.34Å; L90-L106 HydrophobicContact CG-CB 4.41Å; L90-L111 HydrophobicContact CD1-CD2 3.3Å; L90-F176 WeakPolarHBondContact O-CA 3.4Å; L90-G177 PolarHBondContact O-N 2.85Å; L90-F195 HydrophobicContact CD2-CB 4.28Å; L90-F195 HydrophobicContact CD2-CD1 4.32Å; L90-F195 HydrophobicContact CD2-CD2 3.24Å; L90-F195 HydrophobicContact CD2-CE1 4.47Å; L90-F195 HydrophobicContact CD2-CE2 3.44Å; L90-F195 VanDerWaalsContact CD2-CE2 3.44Å; L90-F195 HydrophobicContact CD2-CG 3.71Å; L90-F195 HydrophobicContact CD2-CZ 4.07Å; L90-M199 HydrophobicContact CB-CE 4.24Å; L90-M199 HydrophobicContact CD2-CE 3.76Å
91	L	96.4	Very high	89.8	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	137.9	-177.4	179.8	67.5	0	0	0	110.6	V77 L102 L103 L104 I141 Y174 Y175 F176	V77-L91 HydrophobicContact CB-CD2 4.2Å; V77-L91 HydrophobicContact CG1-CD2 3.82Å; V77-L91 HydrophobicContact CG2-CD2 4.38Å; L91-L102 HydrophobicContact CD2-CD2 4.05Å; L91-L103 CarbonylContact O-C 3.5Å; L91-L103 WeakPolarHBondContact O-CA 3.47Å; L91-L104 HydrophobicContact CB-CB 3.97Å; L91-L104 PolarHBondContact N-O 3.46Å; L91-L104 PolarHBondContact O-N 3.07Å; L91-I141 HydrophobicContact CD2-CD1 3.92Å; L91-Y174 HydrophobicContact CD1-CD1 4.25Å; L91-Y175 CarbonylContact C-O 3.52Å; L91-Y175 VanDerWaalsContact CA-O 3.31Å; L91-Y175 WeakPolarHBondContact CA-O 3.22Å; L91-F176 HydrophobicContact CD1-CD1 3.97Å; L91-F176 HydrophobicContact CD1-CD2 4.21Å; L91-F176 HydrophobicContact CD1-CE1 3.7Å; L91-F176 HydrophobicContact CD1-CE2 3.94Å; L91-F176 HydrophobicContact CD1-CG 4.21Å; L91-F176 HydrophobicContact CD1-CZ 3.68Å
92	S	93.6	Very high	89.4	Confident	7 Å²	7	30 Å²	30	5%	0.049	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	134	169.3	-179.4	0	0	0	0	110	L102 Y175	S92-L102 WeakPolarHBondContact CA-O 3Å; S92-Y175 PolarHBondContact N-O 2.93Å; S92-Y175 PolarHBondContact O-N 3.11Å
93	T	91.7	Very high	89.3	Confident	2 Å²	2	28.2 Å²	28.2	1%	0.012	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	142.2	174.9	-173.8	0	0	0	0	110.9	L95 L102 S173 Y174	T93-L95 HydrophobicContact CG2-CD2 4.46Å; T93-L102 HydrophobicContact CG2-CB 3.91Å; T93-L102 HydrophobicContact CG2-CD2 4.3Å; T93-L102 PolarHBondContact N-O 3.11Å; T93-L102 PolarHBondContact O-N 2.92Å; T93-S173 WeakPolarHBondContact CB-O 3.49Å; T93-S173 PolarHBondContact OG1-O 2.79Å; T93-Y174 HydrophobicContact CG2-CD1 3.93Å; T93-Y174 HydrophobicContact CG2-CE1 3.77Å; T93-Y174 WeakPolarHBondContact OG1-CE1 3.38Å
94	E	88.9	Confident	89.3	Confident	81 Å²	81	28.2 Å²	28.2	38%	0.379	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	124.6	167.2	-166.6	178.8	176.5	0	0	108.9	T101 G171 Q187	E94-T101 HydrophobicContact CG-CG2 4.47Å; E94-G171 WeakPolarHBondContact O-CA 3.46Å; E94-Q187 PolarHBondContact OE2-OE1 2.98Å; E94-Q187 VanDerWaalsContact OE2-OE1 3.12Å
95	L	86.8	Confident	89.4	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	138.9	177.7	-56.8	175.3	0	0	0	109.2	L75 T93 G100 L102 L166 I168	L75-L95 HydrophobicContact CD2-CD2 4.25Å; T93-L95 HydrophobicContact CG2-CD2 4.46Å; L95-G100 WeakPolarHBondContact CB-O 3.31Å; L95-G100 PolarHBondContact N-O 2.86Å; L95-L102 HydrophobicContact CD2-CB 4.35Å; L95-L166 HydrophobicContact CD1-CD2 4.16Å; L95-I168 HydrophobicContact CD1-CG2 4.2Å; L95-I168 HydrophobicContact CD2-CG2 4.11Å
96	S	83.3	Confident	89.6	Confident	3 Å²	3	26 Å²	26	2%	0.021	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-68.6	167.6	-177.6	57.6	0	0	0	0	112.7	G98 S99 Y169 S170	S96-G98 PolarHBondContact O-N 3.41Å; S96-S99 WeakPolarHBondContact O-CB 3.15Å; S96-S99 PolarHBondContact O-N 2.83Å; S96-S99 VanDerWaalsContact O-N 3.15Å; S96-S99 PolarHBondContact O-OG 2.71Å; S96-Y169 WeakPolarHBondContact OG-CB 3.44Å; S96-S170 VanDerWaalsContact CB-O 3.27Å; S96-S170 WeakPolarHBondContact CB-O 3.15Å; S96-S170 PolarHBondContact OG-O 3.25Å
97	E	78.9	Confident	89.7	Confident	129 Å²	129	24.4 Å²	24.4	60%	0.603	14%	0.137	S	C	*	.	G	3₁₀ helix	trans	61.6	23.2	-177.4	-52.1	-166.1	170.4	0	0	115	S99 Y169	E97-S99 PolarHBondContact O-N 3.28Å; E97-Y169 HydrophobicContact CB-CD2 4.4Å; E97-Y169 HydrophobicContact CG-CD2 4.38Å; E97-Y169 WeakPolarHBondContact OE2-CE2 3.48Å
98	G	68.1	Low	89.6	Confident	46 Å²	46	23.3 Å²	23.3	47%	0.474	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	67.8	29.2	-176.6	0	0	0	0	0	112.1	S96 G100 V118	S96-G98 PolarHBondContact O-N 3.41Å; G98-G100 PolarHBondContact O-N 3.2Å; G98-V118 WeakPolarHBondContact O-CG2 3.08Å
99	S	74.8	Confident	89.6	Confident	9 Å²	9	23.3 Å²	23.3	6%	0.063	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-0.9	-179.7	-57.4	0	0	0	0	112.9	S96 E97 L166 Q167	S96-S99 WeakPolarHBondContact O-CB 3.15Å; S96-S99 PolarHBondContact O-N 2.83Å; S96-S99 VanDerWaalsContact O-N 3.15Å; S96-S99 PolarHBondContact O-OG 2.71Å; E97-S99 PolarHBondContact O-N 3.28Å; S99-L166 WeakPolarHBondContact O-CD1 3.36Å; S99-L166 WeakPolarHBondContact O-CD2 3.15Å; S99-Q167 WeakPolarHBondContact CB-O 3.38Å; S99-Q167 PolarHBondContact OG-O 3.07Å; S99-Q167 VanDerWaalsContact OG-O 3.13Å
100	G	85.2	Confident	89.6	Confident	6 Å²	6	25 Å²	25	6%	0.062	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	99	-150.4	174.5	0	0	0	0	0	113.6	L95 G98 K116	L95-G100 WeakPolarHBondContact CB-O 3.31Å; L95-G100 PolarHBondContact N-O 2.86Å; G98-G100 PolarHBondContact O-N 3.2Å; G100-K116 CarbonylContact C-O 3.59Å; G100-K116 WeakPolarHBondContact CA-O 2.87Å
101	T	87.9	Confident	89.5	Confident	46 Å²	46	25 Å²	25	28%	0.282	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	144.9	-170.4	45.8	0	0	0	0	112.2	E94 I115 K116	E94-T101 HydrophobicContact CG-CG2 4.47Å; T101-I115 WeakPolarHBondContact O-CA 3.42Å; T101-K116 PolarHBondContact N-O 2.95Å; T101-K116 PolarHBondContact O-N 2.87Å
102	L	90.9	Very high	89.4	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127.5	172.4	-177.9	154.9	0	0	0	109.4	L75 L91 S92 T93 L95 L113 L114 I115 I141	L75-L102 HydrophobicContact CD2-CD1 3.98Å; L91-L102 HydrophobicContact CD2-CD2 4.05Å; S92-L102 WeakPolarHBondContact CA-O 3Å; T93-L102 HydrophobicContact CG2-CB 3.91Å; T93-L102 HydrophobicContact CG2-CD2 4.3Å; T93-L102 PolarHBondContact N-O 3.11Å; T93-L102 PolarHBondContact O-N 2.92Å; L95-L102 HydrophobicContact CD2-CB 4.35Å; L102-L113 HydrophobicContact CD1-CD1 4.31Å; L102-L113 HydrophobicContact CD2-CD1 3.87Å; L102-L113 HydrophobicContact CG-CD1 3.93Å; L102-L114 WeakPolarHBondContact CA-O 3.43Å; L102-I115 HydrophobicContact CD1-CD1 4.41Å; L102-I115 HydrophobicContact CD1-CG1 4.4Å; L102-I115 HydrophobicContact CG-CG1 4.36Å; L102-I141 HydrophobicContact CD1-CG2 4.29Å; L102-I141 HydrophobicContact CD2-CD1 4.34Å
103	L	92.8	Very high	89.4	Confident	21 Å²	21	28.2 Å²	28.2	11%	0.11	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131.7	-177.9	-70.7	153.6	0	0	0	109.5	L89 L91 L113 L114	L89-L103 HydrophobicContact CD1-CD2 3.96Å; L91-L103 CarbonylContact O-C 3.5Å; L91-L103 WeakPolarHBondContact O-CA 3.47Å; L103-L113 CarbonylContact O-C 3.43Å; L103-L113 WeakPolarHBondContact O-CA 3.43Å; L103-L114 HydrophobicContact CB-CB 4.25Å; L103-L114 HydrophobicContact CD1-CD2 4.03Å; L103-L114 PolarHBondContact N-O 2.79Å; L103-L114 PolarHBondContact O-N 2.82Å
104	L	95.8	Very high	89.3	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	121.9	168.6	-175.3	75.9	0	0	0	109.2	F79 L90 L91 L111 L113 V139 I141 L150	F79-L104 HydrophobicContact CE1-CD2 4.19Å; F79-L104 HydrophobicContact CZ-CD2 3.73Å; L90-L104 HydrophobicContact CB-CD2 4.04Å; L90-L104 HydrophobicContact CB-CG 4.33Å; L90-L104 HydrophobicContact CD1-CD2 3.95Å; L90-L104 HydrophobicContact CD1-CG 4.32Å; L90-L104 PolarHBondContact N-O 3.37Å; L91-L104 HydrophobicContact CB-CB 3.97Å; L91-L104 PolarHBondContact N-O 3.46Å; L91-L104 PolarHBondContact O-N 3.07Å; L104-L111 HydrophobicContact CD1-CB 4.47Å; L104-L111 HydrophobicContact CD1-CD2 4.43Å; L104-L111 HydrophobicContact CD2-CD2 4.42Å; L104-L111 HydrophobicContact CG-CD2 4.39Å; L104-L113 HydrophobicContact CD1-CB 3.99Å; L104-L113 HydrophobicContact CD1-CD1 4.27Å; L104-V139 HydrophobicContact CD2-CG1 3.75Å; L104-I141 HydrophobicContact CB-CD1 4.36Å; L104-I141 HydrophobicContact CD1-CD1 4.47Å; L104-I141 HydrophobicContact CD2-CD1 4.14Å; L104-L150 HydrophobicContact CD1-CD1 4.23Å; L104-L150 HydrophobicContact CD1-CD2 4.35Å
105	I	95.9	Very high	89.3	Confident	12 Å²	12	25.4 Å²	25.4	6%	0.062	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	135	-172.3	-54.8	175	0	0	0	107.9	L89 E107 R112 P191 I192	L89-I105 HydrophobicContact CD1-CG1 4.02Å; I105-E107 HydrophobicContact CG2-CB 4.39Å; I105-R112 PolarHBondContact N-O 2.89Å; I105-R112 PolarHBondContact O-N 2.73Å; I105-P191 HydrophobicContact CD1-CB 4.48Å; I105-P191 HydrophobicContact CD1-CG 3.67Å; I105-P191 HydrophobicContact CG1-CG 4.41Å; I105-I192 HydrophobicContact CG2-CD1 3.38Å; I105-I192 HydrophobicContact CG2-CG1 3.85Å
106	L	96.4	Very high	89.2	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	123.1	160.9	-171.8	70.9	0	0	0	107	F81 T83 N85 E86 D87 G88 L90 T110 L111 L131	F81-L106 HydrophobicContact CE2-CD1 4.43Å; F81-L106 HydrophobicContact CE2-CD2 4.23Å; F81-L106 HydrophobicContact CZ-CD1 4.36Å; T83-L106 HydrophobicContact CG2-CD2 3.67Å; N85-L106 WeakPolarHBondContact O-CD2 3.45Å; E86-L106 WeakPolarHBondContact O-CG 3.46Å; D87-L106 CarbonylContact C-O 3.57Å; D87-L106 WeakPolarHBondContact CA-O 3.26Å; G88-L106 PolarHBondContact N-O 3.48Å; G88-L106 PolarHBondContact O-N 3.03Å; L90-L106 HydrophobicContact CD1-CB 4.34Å; L90-L106 HydrophobicContact CG-CB 4.41Å; L106-T110 WeakPolarHBondContact CA-O 3.31Å; L106-L111 HydrophobicContact CD1-CD2 4.01Å; L106-L111 HydrophobicContact CD1-CG 4.46Å; L106-L131 HydrophobicContact CD1-CB 4.03Å; L106-L131 HydrophobicContact CD1-CD1 4.24Å
107	E	94.9	Very high	89.1	Confident	78 Å²	78	31.1 Å²	31.1	36%	0.364	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	118.6	-177.7	-173.8	174.4	-153.1	0	0	108.9	D87 I105 G109 T110 R112	D87-E107 WeakPolarHBondContact OD1-CA 3.4Å; I105-E107 HydrophobicContact CG2-CB 4.39Å; E107-G109 PolarHBondContact O-N 2.98Å; E107-T110 PolarHBondContact N-O 2.61Å; E107-T110 WeakPolarHBondContact O-CB 3.14Å; E107-T110 PolarHBondContact O-N 2.93Å; E107-R112 IonicContact OE1-NH1 3.13Å; E107-R112 WeakPolarHBondContact OE2-CD 3.34Å; E107-R112 IonicContact OE2-CZ 3.09Å; E107-R112 IonicContact OE2-NE 2.92Å; E107-R112 IonicContact OE2-NH1 2.95Å; E107-R112 PolarHBondContact OE2-NH1 2.91Å
108	G	93.4	Very high	88.8	Confident	47 Å²	47	30.7 Å²	30.7	49%	0.485	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	34.5	-175.9	0	0	0	0	0	113.6	E86 D87 T110	E86-G108 PolarHBondContact O-N 2.79Å; D87-G108 PolarHBondContact OD1-N 2.94Å; G108-T110 VanDerWaalsContact C-N 3.26Å; G108-T110 PolarHBondContact O-N 3.12Å
109	G	93.5	Very high	89.1	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	12.2	-176.9	0	0	0	0	0	115	E86 E107 R129 S130 L131	E86-G109 PolarHBondContact O-N 2.9Å; E107-G109 PolarHBondContact O-N 2.98Å; G109-R129 CarbonylContact O-C 3.49Å; G109-S130 PolarHBondContact O-N 2.85Å; G109-L131 WeakPolarHBondContact O-CG 3.46Å; G109-L131 PolarHBondContact O-N 2.95Å
110	T	95.2	Very high	88.9	Confident	36 Å²	36	35 Å²	35	22%	0.221	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	142.2	177.4	-57.6	0	0	0	0	110.1	L106 E107 G108 L126 G128	L106-T110 WeakPolarHBondContact CA-O 3.31Å; E107-T110 PolarHBondContact N-O 2.61Å; E107-T110 WeakPolarHBondContact O-CB 3.14Å; E107-T110 PolarHBondContact O-N 2.93Å; G108-T110 VanDerWaalsContact C-N 3.26Å; G108-T110 PolarHBondContact O-N 3.12Å; T110-L126 HydrophobicContact CG2-CB 4.37Å; T110-L126 HydrophobicContact CG2-CD2 4.3Å; T110-G128 WeakPolarHBondContact CG2-O 3.44Å
111	L	95.1	Very high	88.3	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	128.7	174.3	-72	174.7	0	0	0	110.7	F81 L90 L104 L106 L126 T127 L131 V139 L150 L152	F81-L111 HydrophobicContact CE1-CD1 4.28Å; F81-L111 HydrophobicContact CE1-CD2 4.18Å; F81-L111 HydrophobicContact CZ-CD2 4.06Å; L90-L111 HydrophobicContact CD1-CD2 3.3Å; L104-L111 HydrophobicContact CD1-CB 4.47Å; L104-L111 HydrophobicContact CD1-CD2 4.43Å; L104-L111 HydrophobicContact CD2-CD2 4.42Å; L104-L111 HydrophobicContact CG-CD2 4.39Å; L106-L111 HydrophobicContact CD1-CD2 4.01Å; L106-L111 HydrophobicContact CD1-CG 4.46Å; L111-L126 CarbonylContact O-C 3.54Å; L111-L126 VanDerWaalsContact O-CA 3.26Å; L111-L126 WeakPolarHBondContact O-CA 3.38Å; L111-T127 HydrophobicContact CB-CG2 4.21Å; L111-T127 HydrophobicContact CD1-CG2 4.33Å; L111-T127 PolarHBondContact N-O 2.83Å; L111-T127 PolarHBondContact O-N 2.88Å; L111-L131 HydrophobicContact CB-CD1 4.39Å; L111-L131 HydrophobicContact CD1-CD1 4Å; L111-L131 HydrophobicContact CD2-CD1 4.5Å; L111-L131 HydrophobicContact CG-CD1 3.58Å; L111-V139 HydrophobicContact CD1-CG2 3.74Å; L111-L150 HydrophobicContact CB-CD2 4.46Å; L111-L152 HydrophobicContact CD1-CD1 3.9Å
112	R	93.8	Very high	88	Confident	71 Å²	71	40 Å²	40	27%	0.268	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	112.6	173.9	-172.9	174.6	-176.7	-177.5	2.6	109.8	I105 E107 E124 S125 L126	I105-R112 PolarHBondContact N-O 2.89Å; I105-R112 PolarHBondContact O-N 2.73Å; E107-R112 IonicContact OE1-NH1 3.13Å; E107-R112 WeakPolarHBondContact OE2-CD 3.34Å; E107-R112 IonicContact OE2-CZ 3.09Å; E107-R112 IonicContact OE2-NE 2.92Å; E107-R112 IonicContact OE2-NH1 2.95Å; E107-R112 PolarHBondContact OE2-NH1 2.91Å; R112-E124 IonicContact CZ-OE2 3.66Å; R112-E124 VanDerWaalsContact CZ-OE2 3.24Å; R112-E124 IonicContact NE-OE2 3.65Å; R112-E124 PolarHBondContact NE-OE2 2.86Å; R112-E124 IonicContact NH2-OE1 3.29Å; R112-E124 IonicContact NH2-OE2 2.81Å; R112-E124 PolarHBondContact NH2-OE2 2.81Å; R112-S125 WeakPolarHBondContact CA-O 3.49Å; R112-L126 HydrophobicContact CB-CD2 3.7Å; R112-L126 HydrophobicContact CG-CD2 3.71Å
113	L	93.2	Very high	87.7	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	126.1	171.5	176.6	67.4	0	0	0	108.9	L102 L103 L104 E124 S125 I141 V148 L150	L102-L113 HydrophobicContact CD1-CD1 4.31Å; L102-L113 HydrophobicContact CD2-CD1 3.87Å; L102-L113 HydrophobicContact CG-CD1 3.93Å; L103-L113 CarbonylContact O-C 3.43Å; L103-L113 WeakPolarHBondContact O-CA 3.43Å; L104-L113 HydrophobicContact CD1-CB 3.99Å; L104-L113 HydrophobicContact CD1-CD1 4.27Å; L113-E124 CarbonylContact O-C 3.44Å; L113-E124 WeakPolarHBondContact O-CA 3.4Å; L113-S125 PolarHBondContact N-O 3.03Å; L113-S125 PolarHBondContact O-N 2.87Å; L113-I141 HydrophobicContact CD1-CD1 4.09Å; L113-V148 HydrophobicContact CD2-CG1 3.91Å; L113-L150 HydrophobicContact CB-CD2 4.1Å; L113-L150 HydrophobicContact CD2-CB 4.11Å
114	L	90.5	Very high	87.5	Confident	22 Å²	22	44.6 Å²	44.6	12%	0.115	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.7	-179.2	179.2	67.9	0	0	0	109.8	L102 L103 K116 E124	L102-L114 WeakPolarHBondContact CA-O 3.43Å; L103-L114 HydrophobicContact CB-CB 4.25Å; L103-L114 HydrophobicContact CD1-CD2 4.03Å; L103-L114 PolarHBondContact N-O 2.79Å; L103-L114 PolarHBondContact O-N 2.82Å; L114-K116 HydrophobicContact CD1-CG 4.35Å; L114-K116 HydrophobicContact CD2-CD 4.14Å; L114-K116 VanDerWaalsContact CD2-CE 3.44Å; L114-K116 HydrophobicContact CD2-CG 4.5Å; L114-K116 HydrophobicContact CG-CD 4.38Å; L114-K116 HydrophobicContact CG-CG 4.19Å; L114-E124 HydrophobicContact CD1-CB 4.13Å
115	I	88.2	Confident	87.1	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.015	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	125.9	176.4	-53.4	179	0	0	0	107.8	T101 L102 G122 T123 V148 L161 L166	T101-I115 WeakPolarHBondContact O-CA 3.42Å; L102-I115 HydrophobicContact CD1-CD1 4.41Å; L102-I115 HydrophobicContact CD1-CG1 4.4Å; L102-I115 HydrophobicContact CG-CG1 4.36Å; I115-G122 CarbonylContact O-C 3.29Å; I115-G122 WeakPolarHBondContact O-CA 3.33Å; I115-T123 PolarHBondContact N-O 2.91Å; I115-T123 PolarHBondContact O-N 2.71Å; I115-V148 HydrophobicContact CD1-CB 3.88Å; I115-V148 HydrophobicContact CD1-CG1 3.9Å; I115-V148 HydrophobicContact CD1-CG2 3.48Å; I115-V148 VanDerWaalsContact CD1-CG2 3.48Å; I115-L161 HydrophobicContact CD1-CD2 4.17Å; I115-L166 HydrophobicContact CG2-CD2 4.01Å
116	K	85.7	Confident	86.9	Confident	86 Å²	86	49.7 Å²	49.7	37%	0.374	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135.3	-178.2	-71.7	174.5	171.7	169.8	0	110.3	G100 T101 L114	G100-K116 CarbonylContact C-O 3.59Å; G100-K116 WeakPolarHBondContact CA-O 2.87Å; T101-K116 PolarHBondContact N-O 2.95Å; T101-K116 PolarHBondContact O-N 2.87Å; L114-K116 HydrophobicContact CD1-CG 4.35Å; L114-K116 HydrophobicContact CD2-CD 4.14Å; L114-K116 VanDerWaalsContact CD2-CE 3.44Å; L114-K116 HydrophobicContact CD2-CG 4.5Å; L114-K116 HydrophobicContact CG-CD 4.38Å; L114-K116 HydrophobicContact CG-CG 4.19Å
117	N	80.8	Confident	86.6	Confident	39 Å²	39	51.1 Å²	51.1	21%	0.209	31%	0.309	C	S	.	.			trans	-81.9	175.4	168.4	83.1	-8.8	0	0	0	111.6	A119 G120 H121 L166	N117-A119 PolarHBondContact O-N 2.78Å; N117-A119 WeakPolarHBondContact OD1-CA 3.47Å; N117-A119 WeakPolarHBondContact OD1-CB 3.41Å; N117-A119 PolarHBondContact OD1-N 3.33Å; N117-G120 PolarHBondContact O-N 3.01Å; N117-G120 PolarHBondContact OD1-N 2.98Å; N117-H121 PolarHBondContact N-O 2.86Å; N117-H121 PolarHBondContact OD1-N 3.09Å; N117-H121 PolarHBondContact OD1-O 3.04Å; N117-L166 HydrophobicContact CB-CD1 4.28Å
118	V	73.6	Confident	86.4	Confident	119 Å²	119	48.8 Å²	48.8	72%	0.721	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-25.2	180	-172	0	0	0	0	113	G98 G120	G98-V118 WeakPolarHBondContact O-CG2 3.08Å; V118-G120 VanDerWaalsContact C-N 3.27Å; V118-G120 PolarHBondContact O-N 2.81Å
119	A	73.6	Confident	86.3	Confident	91 Å²	91	56.9 Å²	56.9	75%	0.752	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	2.5	175.5	0	0	0	0	0	113.5	N117 H121	N117-A119 PolarHBondContact O-N 2.78Å; N117-A119 WeakPolarHBondContact OD1-CA 3.47Å; N117-A119 WeakPolarHBondContact OD1-CB 3.41Å; N117-A119 PolarHBondContact OD1-N 3.33Å; A119-H121 VanDerWaalsContact C-N 3.31Å; A119-H121 PolarHBondContact O-N 2.96Å
120	G	69.6	Low	86.2	Confident	56 Å²	56	60.8 Å²	60.8	58%	0.577	35%	0.349	S	S	*	.	S	Bend	trans	81.2	1.8	-179.5	0	0	0	0	0	115.1	N117 V118 G122	N117-G120 PolarHBondContact O-N 3.01Å; N117-G120 PolarHBondContact OD1-N 2.98Å; V118-G120 VanDerWaalsContact C-N 3.27Å; V118-G120 PolarHBondContact O-N 2.81Å; G120-G122 PolarHBondContact O-N 2.02Å
121	H	74.6	Confident	86.2	Confident	116 Å²	116	59.3 Å²	59.3	54%	0.537	34%	0.34	S	S	.	.			trans	-72.1	120.9	174.1	-137.8	-88.7	0	0	0	108.8	N117 A119	N117-H121 PolarHBondContact N-O 2.86Å; N117-H121 PolarHBondContact OD1-N 3.09Å; N117-H121 PolarHBondContact OD1-O 3.04Å; A119-H121 VanDerWaalsContact C-N 3.31Å; A119-H121 PolarHBondContact O-N 2.96Å
122	G	79.9	Confident	86.2	Confident	39 Å²	39	60.7 Å²	60.7	40%	0.402	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	155.1	-172.7	0	0	0	0	0	114	I115 G120	I115-G122 CarbonylContact O-C 3.29Å; I115-G122 WeakPolarHBondContact O-CA 3.33Å; G120-G122 PolarHBondContact O-N 2.02Å
123	T	84.8	Confident	86	Confident	28 Å²	28	60 Å²	60	17%	0.172	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	144.9	175.7	48.8	0	0	0	0	108.8	I115 L161	I115-T123 PolarHBondContact N-O 2.91Å; I115-T123 PolarHBondContact O-N 2.71Å; T123-L161 VanDerWaalsContact OG1-CD2 3.27Å; T123-L161 WeakPolarHBondContact OG1-CD2 3.43Å
124	E	88.8	Confident	85.9	Confident	91 Å²	91	60.3 Å²	60.3	43%	0.425	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	157.5	-177.6	67.6	179.4	-170.6	0	0	113.2	R112 L113 L114	R112-E124 IonicContact CZ-OE2 3.66Å; R112-E124 VanDerWaalsContact CZ-OE2 3.24Å; R112-E124 IonicContact NE-OE2 3.65Å; R112-E124 PolarHBondContact NE-OE2 2.86Å; R112-E124 IonicContact NH2-OE1 3.29Å; R112-E124 IonicContact NH2-OE2 2.81Å; R112-E124 PolarHBondContact NH2-OE2 2.81Å; L113-E124 CarbonylContact O-C 3.44Å; L113-E124 WeakPolarHBondContact O-CA 3.4Å; L114-E124 HydrophobicContact CD1-CB 4.13Å
125	S	88.3	Confident	86	Confident	15 Å²	15	65.5 Å²	65.5	11%	0.105	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	136.3	174.5	-179.9	0	0	0	0	110.2	R112 L113	R112-S125 WeakPolarHBondContact CA-O 3.49Å; L113-S125 PolarHBondContact N-O 3.03Å; L113-S125 PolarHBondContact O-N 2.87Å
126	L	90.9	Very high	86.4	Confident	104 Å²	104	68.2 Å²	68.2	55%	0.545	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	134.8	177.8	-66.1	163.1	0	0	0	109.8	T110 L111 R112	T110-L126 HydrophobicContact CG2-CB 4.37Å; T110-L126 HydrophobicContact CG2-CD2 4.3Å; L111-L126 CarbonylContact O-C 3.54Å; L111-L126 VanDerWaalsContact O-CA 3.26Å; L111-L126 WeakPolarHBondContact O-CA 3.38Å; R112-L126 HydrophobicContact CB-CD2 3.7Å; R112-L126 HydrophobicContact CG-CD2 3.71Å
127	T	90.9	Very high	86.8	Confident	31 Å²	31	64.8 Å²	64.8	19%	0.19	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	150.9	175.9	-142.5	0	0	0	0	113.3	L111 L150 L152	L111-T127 HydrophobicContact CB-CG2 4.21Å; L111-T127 HydrophobicContact CD1-CG2 4.33Å; L111-T127 PolarHBondContact N-O 2.83Å; L111-T127 PolarHBondContact O-N 2.88Å; T127-L150 HydrophobicContact CG2-CD2 3.65Å; T127-L150 HydrophobicContact CG2-CG 4.08Å; T127-L152 HydrophobicContact CG2-CB 3.85Å; T127-L152 HydrophobicContact CG2-CD2 4.02Å
128	G	89.5	Confident	87.5	Confident	29 Å²	29	64 Å²	64	30%	0.299	37%	0.369	S	S	.	.			trans	75.3	173.9	-179.3	0	0	0	0	0	114.2	T110	T110-G128 WeakPolarHBondContact CG2-O 3.44Å
129	R	91.6	Very high	88.6	Confident	216 Å²	216	58.4 Å²	58.4	82%	0.815	34%	0.335	S	S	*	.	S	Bend	trans	-152.6	147.6	173.5	-65.7	-173.1	-179.5	179.5	-0.9	109.2	G109 L131	G109-R129 CarbonylContact O-C 3.49Å; R129-L131 PolarHBondContact O-N 3Å
130	S	92.7	Very high	89.5	Confident	82 Å²	82	56.3 Å²	56.3	57%	0.573	31%	0.311	S	S	*	.			trans	52.7	40.6	175.9	-54.4	0	0	0	0	113.6	G109 N132 N133	G109-S130 PolarHBondContact O-N 2.85Å; S130-N132 PolarHBondContact O-N 2.84Å; S130-N133 PolarHBondContact O-ND2 2.81Å
131	L	94.9	Very high	90.6	Very high	6 Å²	6	53.7 Å²	53.7	3%	0.031	28%	0.284	C	S	.	.			trans	-76	-0.2	-179	-55.9	173.3	0	0	0	113.2	F81 L106 G109 L111 R129 N133 H137 L152	F81-L131 HydrophobicContact CZ-CB 4.13Å; F81-L131 HydrophobicContact CZ-CD1 4.41Å; L106-L131 HydrophobicContact CD1-CB 4.03Å; L106-L131 HydrophobicContact CD1-CD1 4.24Å; G109-L131 WeakPolarHBondContact O-CG 3.46Å; G109-L131 PolarHBondContact O-N 2.95Å; L111-L131 HydrophobicContact CB-CD1 4.39Å; L111-L131 HydrophobicContact CD1-CD1 4Å; L111-L131 HydrophobicContact CD2-CD1 4.5Å; L111-L131 HydrophobicContact CG-CD1 3.58Å; R129-L131 PolarHBondContact O-N 3Å; L131-N133 VanDerWaalsContact C-N 3.27Å; L131-N133 PolarHBondContact O-N 2.9Å; L131-H137 PolarHBondContact O-CD2 2.98Å; L131-L152 HydrophobicContact CD1-CD1 4.47Å; L131-L152 HydrophobicContact CD1-CD2 3.97Å; L131-L152 HydrophobicContact CD2-CD1 4.47Å; L131-L152 HydrophobicContact CD2-CD2 3.81Å
132	N	93.6	Very high	91.4	Very high	29 Å²	29	50.7 Å²	50.7	16%	0.155	27%	0.272	C	S	.	.			trans	-92.5	36.1	173.1	63.6	-61.7	0	0	0	112.3	T83 N85 E86 S130	T83-N132 HydrophobicContact CG2-CB 4.33Å; T83-N132 CarbonylContact O-C 3.55Å; T83-N132 VanDerWaalsContact O-CA 3.25Å; T83-N132 WeakPolarHBondContact O-CA 3.14Å; N85-N132 WeakPolarHBondContact O-CB 3.04Å; E86-N132 WeakPolarHBondContact CG-ND2 3.48Å; S130-N132 PolarHBondContact O-N 2.84Å
133	N	90.9	Very high	91.7	Very high	57 Å²	57	48.8 Å²	48.8	31%	0.305	25%	0.253	S	S	.	.	S	Bend	trans	-92.5	9.5	-176	60.9	21	0	0	0	113.5	W84 S130 L131 Q135 H137	W84-N133 WeakPolarHBondContact CH2-O 3.39Å; W84-N133 VanDerWaalsContact CZ3-O 3.22Å; W84-N133 WeakPolarHBondContact CZ3-O 3.49Å; S130-N133 PolarHBondContact O-ND2 2.81Å; L131-N133 VanDerWaalsContact C-N 3.27Å; L131-N133 PolarHBondContact O-N 2.9Å; N133-Q135 PolarHBondContact O-N 2.96Å; N133-Q135 WeakPolarHBondContact OD1-CA 3.27Å; N133-Q135 VanDerWaalsContact OD1-CB 3.23Å; N133-Q135 WeakPolarHBondContact OD1-CB 3.13Å; N133-Q135 PolarHBondContact OD1-N 2.83Å; N133-H137 PolarHBondContact ND2-NE2 2.88Å; N133-H137 PolarHBondContact OD1-NE2 3.44Å; N133-H137 VanDerWaalsContact OD1-NE2 3.17Å
134	G	90.9	Very high	91.5	Very high	8 Å²	8	55.3 Å²	55.3	8%	0.082	27%	0.274	C	S	.	.	S	Bend	trans	71.5	0.8	-176.9	0	0	0	0	0	115.5	R82 T83	R82-G134 WeakPolarHBondContact CD-O 3.06Å; T83-G134 PolarHBondContact O-N 2.76Å
135	Q	92.8	Very high	91	Very high	130 Å²	130	59.6 Å²	59.6	61%	0.607	29%	0.286	S	S	*	.	S	Bend	trans	-91.4	158.3	176	-55.5	-173.5	-6.7	0	0	111.4	R82 N133 H137	R82-Q135 WeakPolarHBondContact CB-O 3.16Å; N133-Q135 PolarHBondContact O-N 2.96Å; N133-Q135 WeakPolarHBondContact OD1-CA 3.27Å; N133-Q135 VanDerWaalsContact OD1-CB 3.23Å; N133-Q135 WeakPolarHBondContact OD1-CB 3.13Å; N133-Q135 PolarHBondContact OD1-N 2.83Å; Q135-H137 PolarHBondContact O-CD2 3.32Å; Q135-H137 PolarHBondContact O-N 2.97Å
136	W	94.9	Very high	90.6	Very high	61 Å²	61	61.6 Å²	61.6	23%	0.231	30%	0.296	C	S	.	.			trans	-77	121.6	177.2	-73.6	106.5	0	0	0	110.8	P53 Q80 F81 R82 C198 R200	P53-W136 HydrophobicContact CB-CH2 4.46Å; Q80-W136 HydrophobicContact CB-CE3 3.86Å; Q80-W136 HydrophobicContact CB-CZ3 4.33Å; F81-W136 WeakPolarHBondContact O-CA 3.3Å; R82-W136 HydrophobicContact CB-CD2 4.13Å; R82-W136 HydrophobicContact CB-CE3 4.07Å; R82-W136 HydrophobicContact CB-CG 4.48Å; R82-W136 VanDerWaalsContact CD-CE2 3.49Å; R82-W136 HydrophobicContact CG-CD2 3.88Å; R82-W136 HydrophobicContact CG-CE3 3.93Å; R82-W136 HydrophobicContact CG-CH2 4.07Å; R82-W136 HydrophobicContact CG-CZ2 3.98Å; R82-W136 HydrophobicContact CG-CZ3 4.03Å; W136-C198 HydrophobicContact CH2-CB 3.46Å; W136-C198 VanDerWaalsContact CH2-CB 3.46Å; W136-C198 HydrophobicContact CZ2-CB 4.13Å; W136-C198 HydrophobicContact CZ3-CB 4.12Å; W136-R200 HydrophobicContact CE3-CG 4.09Å; W136-R200 HydrophobicContact CH2-CB 4.16Å; W136-R200 HydrophobicContact CH2-CG 3.77Å; W136-R200 HydrophobicContact CZ2-CG 4.34Å; W136-R200 HydrophobicContact CZ3-CB 4.31Å; W136-R200 HydrophobicContact CZ3-CG 3.65Å
137	H	95.9	Very high	90.2	Very high	13 Å²	13	63.8 Å²	63.8	6%	0.06	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	136.4	173	-69.6	-69.8	0	0	0	110.6	Q80 F81 L131 N133 Q135 L152 D153	Q80-H137 CarbonylContact C-O 3.51Å; Q80-H137 WeakPolarHBondContact CA-O 3.45Å; F81-H137 HydrophobicContact CD1-CB 4.25Å; F81-H137 HydrophobicContact CE1-CB 3.8Å; F81-H137 HydrophobicContact CZ-CB 4.08Å; F81-H137 PolarHBondContact N-O 3.42Å; F81-H137 PolarHBondContact O-N 2.89Å; L131-H137 PolarHBondContact O-CD2 2.98Å; N133-H137 PolarHBondContact ND2-NE2 2.88Å; N133-H137 PolarHBondContact OD1-NE2 3.44Å; N133-H137 VanDerWaalsContact OD1-NE2 3.17Å; Q135-H137 PolarHBondContact O-CD2 3.32Å; Q135-H137 PolarHBondContact O-N 2.97Å; H137-L152 HydrophobicContact CB-CD1 4.15Å; H137-D153 VanDerWaalsContact CA-OD1 3.27Å; H137-D153 WeakPolarHBondContact CA-OD1 3.25Å; H137-D153 IonicContact CE1-OD2 2.88Å; H137-D153 IonicContact CG-OD2 3.36Å; H137-D153 IonicContact ND1-OD1 3.01Å; H137-D153 IonicContact ND1-OD2 2.81Å; H137-D153 PolarHBondContact ND1-OD2 3.27Å
138	S	95.2	Very high	90	Very high	24 Å²	24	62.4 Å²	62.4	17%	0.168	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	121.9	179.4	-172.1	0	0	0	0	110.8	L152 D153	S138-L152 CarbonylContact O-C 3.55Å; S138-L152 WeakPolarHBondContact O-CA 3.35Å; S138-D153 PolarHBondContact N-OD1 3.34Å; S138-D153 PolarHBondContact O-N 2.03Å
139	V	95.6	Very high	89.9	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132.5	177.3	179.7	0	0	0	0	109.3	S78 F79 F81 L104 L111 I141 L150 L152	S78-V139 CarbonylContact C-O 3.57Å; S78-V139 WeakPolarHBondContact CA-O 2.99Å; S78-V139 WeakPolarHBondContact CB-O 3.42Å; F79-V139 HydrophobicContact CE1-CB 4.22Å; F79-V139 HydrophobicContact CE1-CG1 4.13Å; F79-V139 HydrophobicContact CE2-CB 4.33Å; F79-V139 HydrophobicContact CE2-CG2 4.39Å; F79-V139 HydrophobicContact CZ-CB 4.1Å; F79-V139 HydrophobicContact CZ-CG1 4.19Å; F79-V139 HydrophobicContact CZ-CG2 4.39Å; F79-V139 PolarHBondContact N-O 3.3Å; F79-V139 PolarHBondContact O-N 3.33Å; F81-V139 HydrophobicContact CD1-CG2 3.66Å; F81-V139 HydrophobicContact CE1-CG2 3.46Å; F81-V139 VanDerWaalsContact CE1-CG2 3.46Å; L104-V139 HydrophobicContact CD2-CG1 3.75Å; L111-V139 HydrophobicContact CD1-CG2 3.74Å; V139-I141 HydrophobicContact CG1-CG1 4.31Å; V139-L150 HydrophobicContact CG1-CD1 3.85Å; V139-L152 HydrophobicContact CG2-CD1 4.45Å
140	N	93.5	Very high	89.9	Confident	48 Å²	48	51.7 Å²	51.7	26%	0.257	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	116	172.5	166.7	41.2	0	0	0	110.4	T151	N140-T151 VanDerWaalsContact CB-OG1 3.22Å; N140-T151 WeakPolarHBondContact CB-OG1 3.43Å; N140-T151 PolarHBondContact N-O 3.16Å; N140-T151 PolarHBondContact ND2-OG1 3.27Å; N140-T151 VanDerWaalsContact ND2-OG1 3.09Å; N140-T151 PolarHBondContact O-N 2.77Å; N140-T151 PolarHBondContact O-OG1 3.01Å
141	I	92.7	Very high	89.8	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	123.8	176.5	-59.5	165.3	0	0	0	107.3	S76 V77 L91 L102 L104 L113 V139 V148 T149 L150	S76-I141 CarbonylContact C-O 3.59Å; S76-I141 WeakPolarHBondContact CA-O 3.31Å; V77-I141 PolarHBondContact N-O 3.37Å; V77-I141 PolarHBondContact O-N 3.37Å; L91-I141 HydrophobicContact CD2-CD1 3.92Å; L102-I141 HydrophobicContact CD1-CG2 4.29Å; L102-I141 HydrophobicContact CD2-CD1 4.34Å; L104-I141 HydrophobicContact CB-CD1 4.36Å; L104-I141 HydrophobicContact CD1-CD1 4.47Å; L104-I141 HydrophobicContact CD2-CD1 4.14Å; L113-I141 HydrophobicContact CD1-CD1 4.09Å; V139-I141 HydrophobicContact CG1-CG1 4.31Å; I141-V148 HydrophobicContact CG2-CG1 4.16Å; I141-T149 WeakPolarHBondContact CA-O 3.25Å; I141-L150 HydrophobicContact CG1-CD1 3.75Å
142	N	89.9	Confident	89.6	Confident	53 Å²	53	50 Å²	50	28%	0.283	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	121.1	175.1	-179.7	38.8	0	0	0	108.7	L75 T149	L75-N142 CarbonylContact O-C 3.58Å; L75-N142 WeakPolarHBondContact O-CA 3.45Å; N142-T149 PolarHBondContact N-O 3.28Å; N142-T149 PolarHBondContact O-N 3.07Å; N142-T149 PolarHBondContact O-OG1 3.08Å; N142-T149 VanDerWaalsContact O-OG1 3.11Å
143	A	87.1	Confident	89.4	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	129.5	175.8	0	0	0	0	0	109.1	G74 L75 R147 V148 I168	G74-A143 CarbonylContact C-O 3.48Å; G74-A143 WeakPolarHBondContact CA-O 3.1Å; L75-A143 HydrophobicContact CB-CB 4.16Å; L75-A143 PolarHBondContact N-O 3.04Å; L75-A143 PolarHBondContact O-N 3.36Å; A143-R147 WeakPolarHBondContact CA-O 3.35Å; A143-V148 HydrophobicContact CB-CB 4.41Å; A143-V148 HydrophobicContact CB-CG1 4.22Å; A143-V148 HydrophobicContact CB-CG2 3.74Å; A143-I168 HydrophobicContact CB-CB 4.31Å; A143-I168 HydrophobicContact CB-CD1 3.93Å; A143-I168 HydrophobicContact CB-CG2 3.77Å
144	R	81.6	Confident	88.8	Confident	165 Å²	165	55.7 Å²	55.7	62%	0.623	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.2	129.9	171.5	-73.1	-168.5	-177.8	-141.7	1.6	109.1	N146 R147	R144-N146 PolarHBondContact O-N 3.37Å; R144-N146 VanDerWaalsContact O-N 3.12Å; R144-R147 PolarHBondContact N-O 3.03Å; R144-R147 PolarHBondContact O-N 2.6Å
145	R	77.9	Confident	88.1	Confident	180 Å²	180	61 Å²	61	68%	0.679	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	-114.6	-176.3	-55.3	177.1	179	177.8	-2.3	110.4	I168	R145-I168 PolarHBondContact O-N 3.28Å
146	N	78.6	Confident	86.4	Confident	58 Å²	58	60.7 Å²	60.7	31%	0.31	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	22.9	-175.6	-57.2	20.3	0	0	0	111.3	R144 E162 T163 P164 L166	R144-N146 PolarHBondContact O-N 3.37Å; R144-N146 VanDerWaalsContact O-N 3.12Å; N146-E162 WeakPolarHBondContact O-CA 3.49Å; N146-T163 VanDerWaalsContact C-OG1 3.31Å; N146-T163 WeakPolarHBondContact CA-OG1 3.15Å; N146-T163 WeakPolarHBondContact CB-O 3.17Å; N146-T163 PolarHBondContact O-N 2.84Å; N146-T163 PolarHBondContact O-OG1 2.9Å; N146-P164 PolarHBondContact ND2-O 2.78Å; N146-L166 PolarHBondContact OD1-O 3.39Å
147	R	83.6	Confident	84.5	Confident	149 Å²	149	60.6 Å²	60.6	56%	0.562	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.2	127.3	-175.7	-163.1	177.6	87.8	161	6.3	111.6	A143 R144 A160 L161	A143-R147 WeakPolarHBondContact CA-O 3.35Å; R144-R147 PolarHBondContact N-O 3.03Å; R144-R147 PolarHBondContact O-N 2.6Å; R147-A160 HydrophobicContact CG-CB 3.65Å; R147-L161 WeakPolarHBondContact CA-O 3.17Å
148	V	87.3	Confident	82.8	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.012	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	135	177.5	-170.7	0	0	0	0	110.9	L113 I115 I141 A143 A160 L161 I168	L113-V148 HydrophobicContact CD2-CG1 3.91Å; I115-V148 HydrophobicContact CD1-CB 3.88Å; I115-V148 HydrophobicContact CD1-CG1 3.9Å; I115-V148 HydrophobicContact CD1-CG2 3.48Å; I115-V148 VanDerWaalsContact CD1-CG2 3.48Å; I141-V148 HydrophobicContact CG2-CG1 4.16Å; A143-V148 HydrophobicContact CB-CB 4.41Å; A143-V148 HydrophobicContact CB-CG1 4.22Å; A143-V148 HydrophobicContact CB-CG2 3.74Å; V148-A160 CarbonylContact O-C 3.59Å; V148-A160 WeakPolarHBondContact O-CA 3.27Å; V148-L161 HydrophobicContact CB-CB 4.38Å; V148-L161 PolarHBondContact N-O 3.45Å; V148-L161 PolarHBondContact O-N 2.86Å; V148-I168 HydrophobicContact CG2-CD1 3.22Å
149	T	87.4	Confident	81.5	Confident	19 Å²	19	65 Å²	65	12%	0.117	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	128.3	177.8	54	0	0	0	0	110	I141 N142 A160	I141-T149 WeakPolarHBondContact CA-O 3.25Å; N142-T149 PolarHBondContact N-O 3.28Å; N142-T149 PolarHBondContact O-N 3.07Å; N142-T149 PolarHBondContact O-OG1 3.08Å; N142-T149 VanDerWaalsContact O-OG1 3.11Å; T149-A160 HydrophobicContact CG2-CB 3.74Å
150	L	90.8	Very high	80.2	Confident	2 Å²	2	66.9 Å²	66.9	1%	0.01	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	121.7	170	176.4	65.3	0	0	0	109	L104 L111 L113 T127 V139 I141 S158	L104-L150 HydrophobicContact CD1-CD1 4.23Å; L104-L150 HydrophobicContact CD1-CD2 4.35Å; L111-L150 HydrophobicContact CB-CD2 4.46Å; L113-L150 HydrophobicContact CB-CD2 4.1Å; L113-L150 HydrophobicContact CD2-CB 4.11Å; T127-L150 HydrophobicContact CG2-CD2 3.65Å; T127-L150 HydrophobicContact CG2-CG 4.08Å; V139-L150 HydrophobicContact CG1-CD1 3.85Å; I141-L150 HydrophobicContact CG1-CD1 3.75Å; L150-S158 PolarHBondContact O-OG 2.87Å
151	T	89.8	Confident	79.4	Confident	29 Å²	29	66 Å²	66	18%	0.178	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130.1	176.1	48.5	0	0	0	0	109.6	N140	N140-T151 VanDerWaalsContact CB-OG1 3.22Å; N140-T151 WeakPolarHBondContact CB-OG1 3.43Å; N140-T151 PolarHBondContact N-O 3.16Å; N140-T151 PolarHBondContact ND2-OG1 3.27Å; N140-T151 VanDerWaalsContact ND2-OG1 3.09Å; N140-T151 PolarHBondContact O-N 2.77Å; N140-T151 PolarHBondContact O-OG1 3.01Å
152	L	92.1	Very high	78.6	Confident	22 Å²	22	73 Å²	73	12%	0.115	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	132.2	178.1	177.2	66	0	0	0	108.2	L111 T127 L131 H137 S138 V139 N154 D155	L111-L152 HydrophobicContact CD1-CD1 3.9Å; T127-L152 HydrophobicContact CG2-CB 3.85Å; T127-L152 HydrophobicContact CG2-CD2 4.02Å; L131-L152 HydrophobicContact CD1-CD1 4.47Å; L131-L152 HydrophobicContact CD1-CD2 3.97Å; L131-L152 HydrophobicContact CD2-CD1 4.47Å; L131-L152 HydrophobicContact CD2-CD2 3.81Å; H137-L152 HydrophobicContact CB-CD1 4.15Å; S138-L152 CarbonylContact O-C 3.55Å; S138-L152 WeakPolarHBondContact O-CA 3.35Å; V139-L152 HydrophobicContact CG2-CD1 4.45Å; L152-N154 PolarHBondContact O-N 2.91Å; L152-D155 PolarHBondContact O-N 2.92Å
153	D	88.9	Confident	77.7	Confident	66 Å²	66	70.6 Å²	70.6	35%	0.353	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	28	174.5	-63.1	-28.2	0	0	0	116.2	H137 S138 D155	H137-D153 VanDerWaalsContact CA-OD1 3.27Å; H137-D153 WeakPolarHBondContact CA-OD1 3.25Å; H137-D153 IonicContact CE1-OD2 2.88Å; H137-D153 IonicContact CG-OD2 3.36Å; H137-D153 IonicContact ND1-OD1 3.01Å; H137-D153 IonicContact ND1-OD2 2.81Å; H137-D153 PolarHBondContact ND1-OD2 3.27Å; S138-D153 PolarHBondContact N-OD1 3.34Å; S138-D153 PolarHBondContact O-N 2.03Å; D153-D155 PolarHBondContact O-N 2.76Å
154	N	78.1	Confident	76.8	Confident	140 Å²	140	73.8 Å²	73.8	75%	0.749	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	14.3	-176.1	-50.4	-66.6	0	0	0	115.1	L152	L152-N154 PolarHBondContact O-N 2.91Å
155	D	77.5	Confident	76.2	Confident	121 Å²	121	73.3 Å²	73.3	65%	0.647	38%	0.384	S	S	*	.			trans	-69.8	143.6	171.5	-99.7	-29.2	0	0	0	111.2	L152 D153 A157	L152-D155 PolarHBondContact O-N 2.92Å; D153-D155 PolarHBondContact O-N 2.76Å; D155-A157 PolarHBondContact O-N 2.88Å
156	P	57.1	Low	76	Confident	122 Å²	122	65.6 Å²	65.6	79%	0.792	36%	0.356	S	S	*	.	S	Bend	trans	-67.4	99.9	-175.4	25.7	-31.4	0	0	0	111.5
157	A	53.5	Low	76	Confident	60 Å²	60	68.6 Å²	68.6	50%	0.496	37%	0.368	S	S	.	.			trans	43.3	109.4	158.1	0	0	0	0	0	117.5	D155	D155-A157 PolarHBondContact O-N 2.88Å
158	S	61.5	Low	75.9	Confident	18 Å²	18	61.6 Å²	61.6	13%	0.126	34%	0.342	C	S	.	.	S	Bend	trans	-49.6	147.5	149.4	59.8	0	0	0	0	109.9	L150 A160	L150-S158 PolarHBondContact O-OG 2.87Å; S158-A160 PolarHBondContact O-N 3.18Å
159	P	66.6	Low	75.8	Confident	112 Å²	112	63.8 Å²	63.8	73%	0.727	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-50.6	128	-179.2	18.8	-30.7	0	0	0	109.8	L161	P159-L161 PolarHBondContact O-N 3.35Å
160	A	68.7	Low	75.7	Confident	38 Å²	38	62.9 Å²	62.9	31%	0.314	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-62.9	126.7	-177.3	0	0	0	0	0	109.4	R147 V148 T149 S158 E162	R147-A160 HydrophobicContact CG-CB 3.65Å; V148-A160 CarbonylContact O-C 3.59Å; V148-A160 WeakPolarHBondContact O-CA 3.27Å; T149-A160 HydrophobicContact CG2-CB 3.74Å; S158-A160 PolarHBondContact O-N 3.18Å; A160-E162 PolarHBondContact O-N 3Å
161	L	76.5	Confident	75.5	Confident	31 Å²	31	62.8 Å²	62.8	16%	0.162	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	119.3	179	-162.2	67	0	0	0	108.5	I115 T123 R147 V148 P159	I115-L161 HydrophobicContact CD1-CD2 4.17Å; T123-L161 VanDerWaalsContact OG1-CD2 3.27Å; T123-L161 WeakPolarHBondContact OG1-CD2 3.43Å; R147-L161 WeakPolarHBondContact CA-O 3.17Å; V148-L161 HydrophobicContact CB-CB 4.38Å; V148-L161 PolarHBondContact N-O 3.45Å; V148-L161 PolarHBondContact O-N 2.86Å; P159-L161 PolarHBondContact O-N 3.35Å
162	E	75.8	Confident	75.4	Confident	146 Å²	146	67.6 Å²	67.6	68%	0.682	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	123.9	172.3	-64.8	-166.2	170.2	0	0	109.7	N146 A160 P164	N146-E162 WeakPolarHBondContact O-CA 3.49Å; A160-E162 PolarHBondContact O-N 3Å; E162-P164 WeakPolarHBondContact O-CD 3.45Å
163	T	72.4	Confident	75.3	Confident	2 Å²	2	68.5 Å²	68.5	1%	0.012	37%	0.369	C	S	.	.			trans	-115.5	64.2	176.4	59.7	0	0	0	0	109.7	N146 W165 L166	N146-T163 VanDerWaalsContact C-OG1 3.31Å; N146-T163 WeakPolarHBondContact CA-OG1 3.15Å; N146-T163 WeakPolarHBondContact CB-O 3.17Å; N146-T163 PolarHBondContact O-N 2.84Å; N146-T163 PolarHBondContact O-OG1 2.9Å; T163-W165 PolarHBondContact O-N 2.74Å; T163-L166 PolarHBondContact O-N 2.95Å; T163-L166 VanDerWaalsContact O-O 3.05Å
164	P	67.2	Low	75.6	Confident	67 Å²	67	65.4 Å²	65.4	44%	0.435	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-21	-169.1	22.1	-31.5	0	0	0	114.3	N146 E162	N146-P164 PolarHBondContact ND2-O 2.78Å; E162-P164 WeakPolarHBondContact O-CD 3.45Å
165	W	68.6	Low	76.4	Confident	156 Å²	156	60.2 Å²	60.2	59%	0.591	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-0.2	177.1	19.8	81.7	0	0	0	114.2	T163	T163-W165 PolarHBondContact O-N 2.74Å
166	L	73.8	Confident	77.3	Confident	18 Å²	18	54.4 Å²	54.4	9%	0.094	29%	0.291	C	S	.	.			trans	-140	125.6	-171.7	-166.8	72.5	0	0	0	112.8	L95 S99 I115 N117 N146 T163 I168	L95-L166 HydrophobicContact CD1-CD2 4.16Å; S99-L166 WeakPolarHBondContact O-CD1 3.36Å; S99-L166 WeakPolarHBondContact O-CD2 3.15Å; I115-L166 HydrophobicContact CG2-CD2 4.01Å; N117-L166 HydrophobicContact CB-CD1 4.28Å; N146-L166 PolarHBondContact OD1-O 3.39Å; T163-L166 PolarHBondContact O-N 2.95Å; T163-L166 VanDerWaalsContact O-O 3.05Å; L166-I168 HydrophobicContact CD2-CG1 3.98Å; L166-I168 HydrophobicContact CG-CG1 4.3Å
167	Q	78.8	Confident	79.1	Confident	120 Å²	120	48.6 Å²	48.6	56%	0.561	25%	0.253	S	S	*	.			trans	-89.7	127	163.3	-71.8	-175.7	-23.3	0	0	108.5	S99 Y169	S99-Q167 WeakPolarHBondContact CB-O 3.38Å; S99-Q167 PolarHBondContact OG-O 3.07Å; S99-Q167 VanDerWaalsContact OG-O 3.13Å; Q167-Y169 HydrophobicContact CB-CD2 4.49Å; Q167-Y169 HydrophobicContact CB-CE2 3.79Å; Q167-Y169 PolarHBondContact OE1-OH 3.49Å
168	I	82.8	Confident	81	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	23%	0.23	C	C	.	.			trans	-99.6	115.8	-173.2	-61.2	170.1	0	0	0	109.7	G74 L75 L95 A143 R145 V148 L166	G74-I168 WeakPolarHBondContact CA-O 3.14Å; G74-I168 PolarHBondContact N-O 2.77Å; G74-I168 VanDerWaalsContact N-O 3.1Å; L75-I168 HydrophobicContact CB-CG2 4.4Å; L95-I168 HydrophobicContact CD1-CG2 4.2Å; L95-I168 HydrophobicContact CD2-CG2 4.11Å; A143-I168 HydrophobicContact CB-CB 4.31Å; A143-I168 HydrophobicContact CB-CD1 3.93Å; A143-I168 HydrophobicContact CB-CG2 3.77Å; R145-I168 PolarHBondContact O-N 3.28Å; V148-I168 HydrophobicContact CG2-CD1 3.22Å; L166-I168 HydrophobicContact CD2-CG1 3.98Å; L166-I168 HydrophobicContact CG-CG1 4.3Å
169	Y	84.4	Confident	82.3	Confident	48 Å²	48	45 Å²	45	19%	0.188	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-108.9	144.6	171.6	-62.4	-84.9	0	0	0	110.4	S96 E97 Q167	S96-Y169 WeakPolarHBondContact OG-CB 3.44Å; E97-Y169 HydrophobicContact CB-CD2 4.4Å; E97-Y169 HydrophobicContact CG-CD2 4.38Å; E97-Y169 WeakPolarHBondContact OE2-CE2 3.48Å; Q167-Y169 HydrophobicContact CB-CD2 4.49Å; Q167-Y169 HydrophobicContact CB-CE2 3.79Å; Q167-Y169 PolarHBondContact OE1-OH 3.49Å
170	S	86.1	Confident	83	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.198	C	C	.	.			trans	-55	138.3	175.5	54.7	0	0	0	0	111.8	T69 I72 G74 S96	T69-S170 WeakPolarHBondContact O-CB 3.42Å; T69-S170 PolarHBondContact O-OG 2.97Å; I72-S170 WeakPolarHBondContact CB-OG 3.38Å; I72-S170 PolarHBondContact N-OG 2.86Å; I72-S170 PolarHBondContact O-N 2.84Å; G74-S170 PolarHBondContact O-N 2.9Å; S96-S170 VanDerWaalsContact CB-O 3.27Å; S96-S170 WeakPolarHBondContact CB-O 3.15Å; S96-S170 PolarHBondContact OG-O 3.25Å
171	G	85.9	Confident	83	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.205	C	C	.	.			trans	-76.1	162.6	177.9	0	0	0	0	0	113.5	E94 Y174	E94-G171 WeakPolarHBondContact O-CA 3.46Å; G171-Y174 PolarHBondContact N-OH 3.1Å; G171-Y174 WeakPolarHBondContact O-CE2 3.49Å
172	Y	87.5	Confident	82.1	Confident	131 Å²	131	47 Å²	47	51%	0.514	23%	0.226	S	C	.	.	S	Bend	trans	-75.9	-31.6	173.8	-66.7	-89.6	0	0	0	112.4	G68 P70	G68-Y172 PolarHBondContact N-O 3.45Å; P70-Y172 HydrophobicContact CB-CD1 3.54Å; P70-Y172 HydrophobicContact CB-CD2 4.32Å; P70-Y172 HydrophobicContact CB-CE1 3.35Å; P70-Y172 HydrophobicContact CB-CE2 4.14Å; P70-Y172 HydrophobicContact CB-CG 4.02Å; P70-Y172 HydrophobicContact CG-CD1 3.51Å; P70-Y172 HydrophobicContact CG-CE1 3.36Å; P70-Y172 HydrophobicContact CG-CG 4.41Å
173	S	90.6	Very high	81	Confident	41 Å²	41	47.4 Å²	47.4	29%	0.287	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	137.9	-168.5	-71.8	0	0	0	0	110.8	T93	T93-S173 WeakPolarHBondContact CB-O 3.49Å; T93-S173 PolarHBondContact OG1-O 2.79Å
174	Y	94.2	Very high	79.8	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	120	178.1	-63.6	-96	0	0	0	109.8	L65 L66 L75 V77 L91 T93 G171 I204	L65-Y174 WeakPolarHBondContact CA-O 3.36Å; L66-Y174 PolarHBondContact N-O 3.26Å; L66-Y174 PolarHBondContact O-N 2.95Å; L75-Y174 HydrophobicContact CD1-CE1 3.64Å; L75-Y174 WeakPolarHBondContact CD1-OH 3.15Å; L75-Y174 HydrophobicContact CD2-CE1 4.34Å; V77-Y174 HydrophobicContact CG2-CD1 4.16Å; V77-Y174 HydrophobicContact CG2-CE1 3.84Å; L91-Y174 HydrophobicContact CD1-CD1 4.25Å; T93-Y174 HydrophobicContact CG2-CD1 3.93Å; T93-Y174 HydrophobicContact CG2-CE1 3.77Å; T93-Y174 WeakPolarHBondContact OG1-CE1 3.38Å; G171-Y174 PolarHBondContact N-OH 3.1Å; G171-Y174 WeakPolarHBondContact O-CE2 3.49Å; Y174-I204 HydrophobicContact CD2-CD1 3.79Å; Y174-I204 HydrophobicContact CD2-CG2 3.83Å; Y174-I204 HydrophobicContact CE1-CG2 4.3Å; Y174-I204 HydrophobicContact CE2-CG2 3.52Å; Y174-I204 HydrophobicContact CG-CD1 3.88Å; Y174-I204 HydrophobicContact CG-CG2 4.35Å
175	Y	95.2	Very high	78.9	Confident	31 Å²	31	57.1 Å²	57.1	12%	0.122	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	118.7	174.3	-70.2	-89.1	0	0	0	109.4	Y63 L64 L65 L91 S92 P180 C188	Y63-Y175 HydrophobicContact CD2-CD1 4.2Å; Y63-Y175 HydrophobicContact CD2-CE1 4.38Å; L64-Y175 CarbonylContact O-C 3.55Å; L64-Y175 WeakPolarHBondContact O-CA 3.42Å; L65-Y175 HydrophobicContact CB-CD1 4.21Å; L65-Y175 HydrophobicContact CB-CE1 4.06Å; L65-Y175 HydrophobicContact CD1-CD1 4.18Å; L65-Y175 HydrophobicContact CD1-CD2 4.18Å; L65-Y175 HydrophobicContact CD1-CE1 3.89Å; L65-Y175 HydrophobicContact CD1-CE2 3.9Å; L65-Y175 HydrophobicContact CD1-CG 4.31Å; L65-Y175 HydrophobicContact CD2-CE1 4.16Å; L65-Y175 HydrophobicContact CG-CE1 4.25Å; L91-Y175 CarbonylContact C-O 3.52Å; L91-Y175 VanDerWaalsContact CA-O 3.31Å; L91-Y175 WeakPolarHBondContact CA-O 3.22Å; S92-Y175 PolarHBondContact N-O 2.93Å; S92-Y175 PolarHBondContact O-N 3.11Å; Y175-P180 HydrophobicContact CE1-CG 3.91Å; Y175-C188 VanDerWaalsContact CB-SG 3.57Å; Y175-C188 HydrophobicContact CD1-CB 4.37Å; Y175-C188 HydrophobicContact CD2-CB 3.7Å; Y175-C188 VanDerWaalsContact CD2-SG 3.55Å; Y175-C188 HydrophobicContact CE1-CB 4.38Å; Y175-C188 HydrophobicContact CE2-CB 3.7Å; Y175-C188 HydrophobicContact CG-CB 4.05Å
176	F	97.5	Very high	78.2	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	141.8	172	-67.8	-98.5	0	0	0	109.7	F56 Y63 L64 L66 V77 F79 L90 L91 G178 M199 I202 I204	F56-F176 VanDerWaalsContact CE1-O 3.25Å; F56-F176 WeakPolarHBondContact CE1-O 3.41Å; F56-F176 HydrophobicContact CZ-CB 4.11Å; Y63-F176 WeakPolarHBondContact CA-O 3.42Å; L64-F176 HydrophobicContact CB-CB 4.19Å; L64-F176 PolarHBondContact N-O 3.16Å; L64-F176 PolarHBondContact O-N 3.05Å; L66-F176 HydrophobicContact CD1-CD2 4.19Å; L66-F176 HydrophobicContact CD1-CE2 4.05Å; V77-F176 HydrophobicContact CG1-CE1 4.1Å; V77-F176 HydrophobicContact CG1-CZ 3.86Å; F79-F176 HydrophobicContact CD1-CD1 4.38Å; F79-F176 AromaticContact CD1-CE1 3.76Å; F79-F176 HydrophobicContact CD1-CE1 3.76Å; F79-F176 HydrophobicContact CE1-CE1 4.16Å; F79-F176 HydrophobicContact CG-CE1 4.25Å; L90-F176 WeakPolarHBondContact O-CA 3.4Å; L91-F176 HydrophobicContact CD1-CD1 3.97Å; L91-F176 HydrophobicContact CD1-CD2 4.21Å; L91-F176 HydrophobicContact CD1-CE1 3.7Å; L91-F176 HydrophobicContact CD1-CE2 3.94Å; L91-F176 HydrophobicContact CD1-CG 4.21Å; L91-F176 HydrophobicContact CD1-CZ 3.68Å; F176-G178 PolarHBondContact O-N 3.26Å; F176-M199 HydrophobicContact CB-SD 4.16Å; F176-M199 HydrophobicContact CD1-SD 4.05Å; F176-I202 HydrophobicContact CD1-CD1 4.41Å; F176-I202 HydrophobicContact CE1-CG2 3.84Å; F176-I202 HydrophobicContact CE2-CG2 3.97Å; F176-I202 HydrophobicContact CZ-CG2 3.51Å; F176-I204 HydrophobicContact CE2-CD1 3.95Å; F176-I204 HydrophobicContact CE2-CG1 4.47Å; F176-I204 HydrophobicContact CZ-CD1 4.29Å; F176-I204 HydrophobicContact CZ-CG1 4.31Å
177	G	94.6	Very high	78	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.295	C	S	.	.	S	Bend	trans	71.2	-15.9	172.6	0	0	0	0	0	116.8	S62 L89 L90 A194 F195	S62-G177 CarbonylContact O-C 3.6Å; L89-G177 CarbonylContact O-C 3.43Å; L89-G177 WeakPolarHBondContact O-CA 3.47Å; L89-G177 VanDerWaalsContact O-O 3.13Å; L90-G177 PolarHBondContact O-N 2.85Å; G177-A194 CarbonylContact O-C 3.59Å; G177-A194 WeakPolarHBondContact O-CA 3.07Å; G177-A194 WeakPolarHBondContact O-CB 3.36Å; G177-F195 WeakPolarHBondContact O-CB 3.21Å; G177-F195 PolarHBondContact O-N 2.98Å
178	G	92.8	Very high	78.1	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.269	C	S	.	.			trans	170.4	-179.2	178.4	0	0	0	0	0	112.5	S62 Y63 F176 N190	S62-G178 VanDerWaalsContact O-CA 3.31Å; S62-G178 WeakPolarHBondContact O-CA 3.46Å; S62-G178 PolarHBondContact O-N 3.12Å; Y63-G178 WeakPolarHBondContact CB-O 3.48Å; F176-G178 PolarHBondContact O-N 3.26Å; G178-N190 WeakPolarHBondContact CA-OD1 3.38Å
179	C	88.1	Confident	78	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.007	30%	0.3	C	S	.	.			trans	-118.4	155.4	173.4	-55.5	0	0	0	0	110.8	C188 L189 N190	C179-C188 HydrophobicContact CB-CB 3.65Å; C179-C188 WeakPolarHBondContact CB-SG 3.25Å; C179-C188 WeakPolarHBondContact SG-CB 3.43Å; C179-C188 CovalentContact SG-SG 2.03Å; C179-C188 PolarHBondContact SG-SG 3.23Å; C179-L189 PolarHBondContact SG-N 3.19Å; C179-L189 PolarHBondContact SG-O 3.23Å; C179-N190 PolarHBondContact N-OD1 3.36Å; C179-N190 PolarHBondContact O-ND2 3.15Å; C179-N190 VanDerWaalsContact O-ND2 3.15Å
180	P	82.8	Confident	77.7	Confident	29 Å²	29	57.5 Å²	57.5	19%	0.188	30%	0.302	C	S	.	.			trans	-63.5	144.2	173.3	-15	27.9	0	0	0	112.1	Y63 Y175 N182	Y63-P180 HydrophobicContact CD1-CB 4.33Å; Y63-P180 HydrophobicContact CD1-CG 4.12Å; Y63-P180 HydrophobicContact CD2-CG 4.41Å; Y63-P180 HydrophobicContact CE1-CB 3.87Å; Y63-P180 HydrophobicContact CE1-CG 3.81Å; Y63-P180 HydrophobicContact CE2-CG 4.12Å; Y63-P180 HydrophobicContact CG-CG 4.43Å; Y175-P180 HydrophobicContact CE1-CG 3.91Å; P180-N182 PolarHBondContact O-N 3.23Å
181	D	66.9	Low	77.4	Confident	84 Å²	84	61 Å²	61	45%	0.449	33%	0.325	S	S	.	.	S	Bend	trans	-70.8	-14.4	-179.4	-75.2	-31.2	0	0	0	114.3	S61 L183	S61-D181 WeakPolarHBondContact CB-OD2 3.34Å; D181-L183 PolarHBondContact O-N 3.42Å
182	N	59	Low	77.2	Confident	112 Å²	112	63.7 Å²	63.7	60%	0.599	34%	0.339	S	S	*	.			trans	-75.6	101.1	-175.4	-123.9	-5.8	0	0	0	110.9	P180 T184 S186	P180-N182 PolarHBondContact O-N 3.23Å; N182-T184 PolarHBondContact O-N 3.21Å; N182-T184 VanDerWaalsContact O-N 3.16Å; N182-S186 PolarHBondContact O-OG 2.86Å
183	L	52.6	Low	77.2	Confident	153 Å²	153	64 Å²	64	80%	0.801	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-9.7	-175.8	-79.1	148.4	0	0	0	114.9	D181	D181-L183 PolarHBondContact O-N 3.42Å
184	T	47.3	Very low	77.2	Confident	116 Å²	116	62 Å²	62	71%	0.712	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-12.7	-169.4	49.1	0	0	0	0	114.9	N182	N182-T184 PolarHBondContact O-N 3.21Å; N182-T184 VanDerWaalsContact O-N 3.16Å
185	D	47	Very low	77.3	Confident	157 Å²	157	62.1 Å²	62.1	84%	0.84	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.1	1.8	-174.4	-112.1	-20.5	0	0	0	115.7
186	S	54.2	Low	77.2	Confident	32 Å²	32	61.6 Å²	61.6	22%	0.224	33%	0.328	C	S	.	.			trans	-92.2	119.6	-175.7	52.9	0	0	0	0	112.5	N182 C188	N182-S186 PolarHBondContact O-OG 2.86Å; S186-C188 PolarHBondContact O-N 2.99Å
187	Q	69.5	Low	77	Confident	147 Å²	147	61.6 Å²	61.6	69%	0.687	33%	0.328	S	S	*	.	S	Bend	trans	-68.9	9.7	170.5	-68.5	170.7	-13.3	0	0	113.3	E94	E94-Q187 PolarHBondContact OE2-OE1 2.98Å; E94-Q187 VanDerWaalsContact OE2-OE1 3.12Å
188	C	80.9	Confident	77.1	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.014	33%	0.328	C	S	.	.			trans	-127.4	130.5	-172.1	-171	0	0	0	0	108.7	Y175 C179 S186	Y175-C188 VanDerWaalsContact CB-SG 3.57Å; Y175-C188 HydrophobicContact CD1-CB 4.37Å; Y175-C188 HydrophobicContact CD2-CB 3.7Å; Y175-C188 VanDerWaalsContact CD2-SG 3.55Å; Y175-C188 HydrophobicContact CE1-CB 4.38Å; Y175-C188 HydrophobicContact CE2-CB 3.7Å; Y175-C188 HydrophobicContact CG-CB 4.05Å; C179-C188 HydrophobicContact CB-CB 3.65Å; C179-C188 WeakPolarHBondContact CB-SG 3.25Å; C179-C188 WeakPolarHBondContact SG-CB 3.43Å; C179-C188 CovalentContact SG-SG 2.03Å; C179-C188 PolarHBondContact SG-SG 3.23Å; S186-C188 PolarHBondContact O-N 2.99Å
189	L	80.2	Confident	77.4	Confident	126 Å²	126	61.6 Å²	61.6	66%	0.66	33%	0.328	S	S	*	.			trans	-120.9	143	175.7	-69.3	166.6	0	0	0	110	C179 P191	C179-L189 PolarHBondContact SG-N 3.19Å; C179-L189 PolarHBondContact SG-O 3.23Å; L189-P191 WeakPolarHBondContact O-CD 3.4Å
190	N	79.3	Confident	77.7	Confident	46 Å²	46	64.4 Å²	64.4	25%	0.246	34%	0.339	C	S	.	.			trans	-85.8	97.7	170.8	-75.1	-37.1	0	0	0	108.6	R60 L89 G178 C179 I192	R60-N190 PolarHBondContact O-ND2 3.35Å; L89-N190 WeakPolarHBondContact CD2-OD1 3.46Å; G178-N190 WeakPolarHBondContact CA-OD1 3.38Å; C179-N190 PolarHBondContact N-OD1 3.36Å; C179-N190 PolarHBondContact O-ND2 3.15Å; C179-N190 VanDerWaalsContact O-ND2 3.15Å; N190-I192 CarbonylContact C-O 3.57Å; N190-I192 WeakPolarHBondContact CB-O 3.3Å; N190-I192 PolarHBondContact O-N 3.39Å
191	P	79.3	Confident	78.2	Confident	74 Å²	74	66.2 Å²	66.2	48%	0.481	35%	0.346	S	S	.	.	S	Bend	trans	-68.7	-23.4	179.4	29.5	-35.9	0	0	0	112.2	I105 L189	I105-P191 HydrophobicContact CD1-CB 4.48Å; I105-P191 HydrophobicContact CD1-CG 3.67Å; I105-P191 HydrophobicContact CG1-CG 4.41Å; L189-P191 WeakPolarHBondContact O-CD 3.4Å
192	I	82.7	Confident	79.6	Confident	56 Å²	56	62.4 Å²	62.4	29%	0.287	33%	0.326	S	S	.	.	S	Bend	trans	-134.3	-155.4	173.4	59.2	154.8	0	0	0	108.2	D87 G88 I105 N190	D87-I192 HydrophobicContact CB-CD1 4.01Å; G88-I192 VanDerWaalsContact N-CD1 3.26Å; I105-I192 HydrophobicContact CG2-CD1 3.38Å; I105-I192 HydrophobicContact CG2-CG1 3.85Å; N190-I192 CarbonylContact C-O 3.57Å; N190-I192 WeakPolarHBondContact CB-O 3.3Å; N190-I192 PolarHBondContact O-N 3.39Å
193	K	87.4	Confident	81.2	Confident	136 Å²	136	59 Å²	59	59%	0.591	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-71.4	150.7	174.4	-64.3	176.3	-173.6	170	0	111.7	G88 L89	G88-K193 WeakPolarHBondContact CA-O 3.39Å; L89-K193 PolarHBondContact N-O 3.28Å
194	A	90.8	Very high	83.2	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.008	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-60.4	144.9	163.6	0	0	0	0	0	109.2	S59 G177 Q196	S59-A194 WeakPolarHBondContact CA-O 3.32Å; S59-A194 WeakPolarHBondContact O-CB 3.19Å; S59-A194 PolarHBondContact O-N 3.04Å; G177-A194 CarbonylContact O-C 3.59Å; G177-A194 WeakPolarHBondContact O-CA 3.07Å; G177-A194 WeakPolarHBondContact O-CB 3.36Å; A194-Q196 PolarHBondContact O-N 3.33Å
195	F	94.9	Very high	85.1	Confident	1 Å²	1	47.1 Å²	47.1	0%	0.004	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-61.6	131.9	176.6	176.2	-108.4	0	0	0	110.9	F56 F81 T83 L89 L90 G177 G197 M199	F56-F195 HydrophobicContact CB-CD1 4.08Å; F56-F195 WeakPolarHBondContact CB-O 3.02Å; F56-F195 AromaticContact CD2-CD1 3.69Å; F56-F195 HydrophobicContact CD2-CD1 3.69Å; F56-F195 AromaticContact CD2-CE1 3.95Å; F56-F195 HydrophobicContact CD2-CE1 3.95Å; F56-F195 HydrophobicContact CE2-CD1 4.35Å; F56-F195 AromaticContact CG-CD1 3.93Å; F56-F195 HydrophobicContact CG-CD1 3.93Å; F81-F195 HydrophobicContact CB-CZ 4.06Å; F81-F195 AromaticContact CD2-CE2 3.98Å; F81-F195 HydrophobicContact CD2-CE2 3.98Å; F81-F195 HydrophobicContact CD2-CZ 4.05Å; T83-F195 HydrophobicContact CG2-CE2 3.76Å; T83-F195 HydrophobicContact CG2-CZ 4.46Å; L89-F195 VanDerWaalsContact O-CB 3.27Å; L89-F195 WeakPolarHBondContact O-CB 3.46Å; L90-F195 HydrophobicContact CD2-CB 4.28Å; L90-F195 HydrophobicContact CD2-CD1 4.32Å; L90-F195 HydrophobicContact CD2-CD2 3.24Å; L90-F195 HydrophobicContact CD2-CE1 4.47Å; L90-F195 HydrophobicContact CD2-CE2 3.44Å; L90-F195 VanDerWaalsContact CD2-CE2 3.44Å; L90-F195 HydrophobicContact CD2-CG 3.71Å; L90-F195 HydrophobicContact CD2-CZ 4.07Å; G177-F195 WeakPolarHBondContact O-CB 3.21Å; G177-F195 PolarHBondContact O-N 2.98Å; F195-G197 VanDerWaalsContact CE1-C 3.44Å; F195-M199 HydrophobicContact CD1-CE 3.59Å; F195-M199 HydrophobicContact CE1-CE 3.75Å; F195-M199 HydrophobicContact CE1-CG 4.02Å; F195-M199 HydrophobicContact CG-CE 4.16Å; F195-M199 HydrophobicContact CZ-CE 4.43Å
196	Q	93.6	Very high	86.8	Confident	20 Å²	20	44.9 Å²	44.9	9%	0.093	23%	0.227	C	C	.	.			trans	-111.5	130.1	162.3	-68.5	176	-57.4	0	0	108.1	F56 V57 T83 N85 A194 W251	F56-Q196 VanDerWaalsContact O-CA 3.31Å; F56-Q196 WeakPolarHBondContact O-CA 3.23Å; V57-Q196 PolarHBondContact O-NE2 3.46Å; T83-Q196 WeakPolarHBondContact CB-O 3.17Å; T83-Q196 PolarHBondContact OG1-O 2.94Å; N85-Q196 PolarHBondContact ND2-OE1 3.04Å; A194-Q196 PolarHBondContact O-N 3.33Å; Q196-W251 HydrophobicContact CB-CD2 4.04Å; Q196-W251 HydrophobicContact CB-CE3 4Å; Q196-W251 HydrophobicContact CB-CG 4.24Å
197	G	94.3	Very high	88.4	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148.7	-170	-172	0	0	0	0	0	110.8	T55 F56 R82 F195	T55-G197 CarbonylContact C-O 3.53Å; T55-G197 WeakPolarHBondContact CA-O 3.45Å; F56-G197 PolarHBondContact N-O 2.93Å; F56-G197 PolarHBondContact O-N 2.92Å; F56-G197 VanDerWaalsContact O-N 3.09Å; R82-G197 CarbonylContact O-C 3.54Å; R82-G197 WeakPolarHBondContact O-CA 3.25Å; F195-G197 VanDerWaalsContact CE1-C 3.44Å
198	C	96.6	Very high	89.3	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	149.1	179.4	-54.7	0	0	0	0	112	I54 F81 R82 W136 C230	I54-C198 CarbonylContact O-C 3.59Å; I54-C198 WeakPolarHBondContact O-CA 3.35Å; I54-C198 WeakPolarHBondContact O-CB 3.11Å; F81-C198 CarbonylContact C-O 3.08Å; F81-C198 WeakPolarHBondContact CA-O 3.47Å; R82-C198 HydrophobicContact CG-CB 4.05Å; R82-C198 PolarHBondContact N-O 2.94Å; R82-C198 PolarHBondContact O-N 3.29Å; W136-C198 HydrophobicContact CH2-CB 3.46Å; W136-C198 VanDerWaalsContact CH2-CB 3.46Å; W136-C198 HydrophobicContact CZ2-CB 4.13Å; W136-C198 HydrophobicContact CZ3-CB 4.12Å; C198-C230 HydrophobicContact CB-CB 3.94Å; C198-C230 WeakPolarHBondContact CB-SG 3.48Å; C198-C230 WeakPolarHBondContact SG-CA 3.42Å; C198-C230 WeakPolarHBondContact SG-CB 3.22Å; C198-C230 CovalentContact SG-SG 2.02Å; C198-C230 PolarHBondContact SG-SG 2.99Å
199	M	97.9	Very high	89.8	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	155.6	164.4	-61.5	-175.2	-173.3	0	0	111.3	P53 I54 F56 F79 Q80 F81 L90 F176 F195 I202	P53-M199 CarbonylContact C-O 3.51Å; P53-M199 WeakPolarHBondContact CA-O 3.4Å; I54-M199 HydrophobicContact CD1-CB 4.24Å; I54-M199 HydrophobicContact CG1-CB 3.96Å; I54-M199 WeakPolarHBondContact CG1-O 3.47Å; I54-M199 PolarHBondContact N-O 3Å; I54-M199 PolarHBondContact O-N 2.7Å; F56-M199 HydrophobicContact CD2-CG 4.29Å; F56-M199 HydrophobicContact CE2-CB 3.95Å; F56-M199 HydrophobicContact CE2-CE 4.08Å; F56-M199 HydrophobicContact CE2-CG 3.61Å; F56-M199 HydrophobicContact CE2-SD 3.65Å; F56-M199 HydrophobicContact CZ-CE 4.38Å; F56-M199 HydrophobicContact CZ-CG 4.47Å; F56-M199 HydrophobicContact CZ-SD 3.94Å; F79-M199 HydrophobicContact CD2-CG 4.38Å; F79-M199 HydrophobicContact CD2-SD 4.03Å; F79-M199 HydrophobicContact CE2-CE 4.24Å; F79-M199 HydrophobicContact CE2-SD 4.16Å; Q80-M199 CarbonylContact O-C 3.59Å; Q80-M199 WeakPolarHBondContact O-CA 3.29Å; F81-M199 HydrophobicContact CB-CG 4.1Å; L90-M199 HydrophobicContact CB-CE 4.24Å; L90-M199 HydrophobicContact CD2-CE 3.76Å; F176-M199 HydrophobicContact CB-SD 4.16Å; F176-M199 HydrophobicContact CD1-SD 4.05Å; F195-M199 HydrophobicContact CD1-CE 3.59Å; F195-M199 HydrophobicContact CE1-CE 3.75Å; F195-M199 HydrophobicContact CE1-CG 4.02Å; F195-M199 HydrophobicContact CG-CE 4.16Å; F195-M199 HydrophobicContact CZ-CE 4.43Å; M199-I202 HydrophobicContact CB-CD1 4.44Å
200	R	94.8	Very high	90.2	Very high	61 Å²	61	45.4 Å²	45.4	23%	0.23	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	170.9	171.7	67.9	-171.8	-169.1	169.7	-2.8	110.6	I51 P53 Q80 W136 I202	I51-R200 HydrophobicContact CG2-CB 3.91Å; I51-R200 HydrophobicContact CG2-CG 4.06Å; P53-R200 HydrophobicContact CB-CB 4.38Å; Q80-R200 HydrophobicContact CB-CG 3.92Å; Q80-R200 PolarHBondContact N-O 2.97Å; Q80-R200 PolarHBondContact O-N 3.26Å; W136-R200 HydrophobicContact CE3-CG 4.09Å; W136-R200 HydrophobicContact CH2-CB 4.16Å; W136-R200 HydrophobicContact CH2-CG 3.77Å; W136-R200 HydrophobicContact CZ2-CG 4.34Å; W136-R200 HydrophobicContact CZ3-CB 4.31Å; W136-R200 HydrophobicContact CZ3-CG 3.65Å; R200-I202 PolarHBondContact O-N 2.81Å
201	L	92.9	Very high	90.7	Very high	67 Å²	67	43.7 Å²	43.7	35%	0.351	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54.6	49.3	176.4	-62	174.3	0	0	0	112	I51 F79 Q80 F203	I51-L201 HydrophobicContact CD1-CD2 4.41Å; I51-L201 HydrophobicContact CG1-CD2 4.21Å; I51-L201 HydrophobicContact CG2-CD2 4.07Å; I51-L201 HydrophobicContact CG2-CG 4.06Å; F79-L201 WeakPolarHBondContact CA-O 3.41Å; Q80-L201 HydrophobicContact CG-CD1 4.33Å; L201-F203 HydrophobicContact CB-CE2 4.18Å; L201-F203 WeakPolarHBondContact O-CD2 3.1Å; L201-F203 WeakPolarHBondContact O-CE2 3.39Å
202	I	95.6	Very high	91	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.015	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	120.6	-179.3	-58	177.6	0	0	0	109.6	I54 L64 L66 S78 F79 F176 M199 R200 I204 K209 L211	I54-I202 HydrophobicContact CD1-CD1 3.9Å; L64-I202 HydrophobicContact CD2-CD1 4.03Å; L66-I202 HydrophobicContact CD1-CG2 4.04Å; S78-I202 CarbonylContact O-C 3.54Å; F79-I202 HydrophobicContact CB-CG1 3.97Å; F176-I202 HydrophobicContact CD1-CD1 4.41Å; F176-I202 HydrophobicContact CE1-CG2 3.84Å; F176-I202 HydrophobicContact CE2-CG2 3.97Å; F176-I202 HydrophobicContact CZ-CG2 3.51Å; M199-I202 HydrophobicContact CB-CD1 4.44Å; R200-I202 PolarHBondContact O-N 2.81Å; I202-I204 HydrophobicContact CG2-CG1 4.5Å; I202-K209 PolarHBondContact O-N 3.27Å; I202-L211 HydrophobicContact CD1-CD2 4.43Å
203	F	93.9	Very high	91.2	Very high	40 Å²	40	41.5 Å²	41.5	18%	0.175	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	136.5	172.5	-62.7	-103.2	0	0	0	109.9	V77 S78 L201 Q207 P208	V77-F203 WeakPolarHBondContact CA-O 3.4Å; S78-F203 PolarHBondContact N-O 3.23Å; S78-F203 PolarHBondContact O-N 3.34Å; S78-F203 WeakPolarHBondContact OG-CB 3.46Å; L201-F203 HydrophobicContact CB-CE2 4.18Å; L201-F203 WeakPolarHBondContact O-CD2 3.1Å; L201-F203 WeakPolarHBondContact O-CE2 3.39Å; F203-Q207 VanDerWaalsContact CA-O 3.31Å; F203-Q207 WeakPolarHBondContact CA-O 2.95Å; F203-P208 HydrophobicContact CD1-CB 3.88Å; F203-P208 HydrophobicContact CD1-CG 4.47Å; F203-P208 HydrophobicContact CE1-CB 3.57Å; F203-P208 HydrophobicContact CE1-CG 4.11Å; F203-P208 HydrophobicContact CZ-CB 4.14Å
204	I	93.2	Very high	91.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	126.4	171.4	-52.3	178	0	0	0	106.6	L66 S76 Y174 F176 I202 N206 Q207 K209	L66-I204 HydrophobicContact CB-CD1 3.87Å; L66-I204 HydrophobicContact CD1-CD1 4.37Å; S76-I204 CarbonylContact O-C 3.55Å; Y174-I204 HydrophobicContact CD2-CD1 3.79Å; Y174-I204 HydrophobicContact CD2-CG2 3.83Å; Y174-I204 HydrophobicContact CE1-CG2 4.3Å; Y174-I204 HydrophobicContact CE2-CG2 3.52Å; Y174-I204 HydrophobicContact CG-CD1 3.88Å; Y174-I204 HydrophobicContact CG-CG2 4.35Å; F176-I204 HydrophobicContact CE2-CD1 3.95Å; F176-I204 HydrophobicContact CE2-CG1 4.47Å; F176-I204 HydrophobicContact CZ-CD1 4.29Å; F176-I204 HydrophobicContact CZ-CG1 4.31Å; I202-I204 HydrophobicContact CG2-CG1 4.5Å; I204-N206 PolarHBondContact O-N 3.35Å; I204-Q207 PolarHBondContact N-O 3.24Å; I204-Q207 WeakPolarHBondContact O-CB 3.46Å; I204-Q207 PolarHBondContact O-N 3.45Å; I204-K209 HydrophobicContact CD1-CD 4.38Å; I204-K209 HydrophobicContact CD1-CG 4.14Å; I204-K209 HydrophobicContact CG1-CG 4.13Å
205	D	87.8	Confident	90.8	Very high	21 Å²	21	40.2 Å²	40.2	11%	0.112	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	40.4	-175.6	-56.2	-37.5	0	0	0	112.9	T69 I72 S76 Q207	T69-D205 PolarHBondContact OG1-OD2 3.19Å; I72-D205 HydrophobicContact CD1-CB 4.14Å; S76-D205 PolarHBondContact N-OD1 3.02Å; S76-D205 WeakPolarHBondContact O-CA 3.44Å; S76-D205 PolarHBondContact O-N 3.41Å; D205-Q207 PolarHBondContact O-N 3.41Å
206	N	82.9	Confident	90.2	Very high	109 Å²	109	46.9 Å²	46.9	58%	0.583	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.4	12.7	-173.7	-58.4	-49.6	0	0	0	115.3	S76 I204	S76-N206 PolarHBondContact OG-OD1 3.29Å; I204-N206 PolarHBondContact O-N 3.35Å
207	Q	86.9	Confident	89.6	Confident	120 Å²	120	48.8 Å²	48.8	56%	0.561	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	124.2	172.6	-62.3	-62.9	-24.9	0	0	110.1	F203 I204 D205	F203-Q207 VanDerWaalsContact CA-O 3.31Å; F203-Q207 WeakPolarHBondContact CA-O 2.95Å; I204-Q207 PolarHBondContact N-O 3.24Å; I204-Q207 WeakPolarHBondContact O-CB 3.46Å; I204-Q207 PolarHBondContact O-N 3.45Å; D205-Q207 PolarHBondContact O-N 3.41Å
208	P	89.7	Confident	89.2	Confident	83 Å²	83	52.7 Å²	52.7	54%	0.539	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	140.3	173.8	26.8	-31.9	0	0	0	110	F203	F203-P208 HydrophobicContact CD1-CB 3.88Å; F203-P208 HydrophobicContact CD1-CG 4.47Å; F203-P208 HydrophobicContact CE1-CB 3.57Å; F203-P208 HydrophobicContact CE1-CG 4.11Å; F203-P208 HydrophobicContact CZ-CB 4.14Å
209	K	91.9	Very high	88.8	Confident	39 Å²	39	54.6 Å²	54.6	17%	0.17	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-98	127.2	176	-61.6	-69.9	168.7	170	0	109.6	L66 P67 I202 I204 L211	L66-K209 HydrophobicContact CD1-CB 4Å; L66-K209 HydrophobicContact CD1-CG 4.07Å; P67-K209 PolarHBondContact O-NZ 3.17Å; I202-K209 PolarHBondContact O-N 3.27Å; I204-K209 HydrophobicContact CD1-CD 4.38Å; I204-K209 HydrophobicContact CD1-CG 4.14Å; I204-K209 HydrophobicContact CG1-CG 4.13Å; K209-L211 PolarHBondContact O-N 3.01Å
210	D	88.4	Confident	88.4	Confident	77 Å²	77	56.5 Å²	56.5	41%	0.412	32%	0.318	S	S	.	.			trans	-81.5	104.5	-177.5	177.2	20.1	0	0	0	111.1	I212 S213 V214	D210-I212 VanDerWaalsContact C-N 3.28Å; D210-I212 PolarHBondContact O-N 3.49Å; D210-I212 WeakPolarHBondContact OD1-CB 3.31Å; D210-I212 PolarHBondContact OD1-N 2.89Å; D210-S213 PolarHBondContact O-N 2.84Å; D210-S213 WeakPolarHBondContact OD2-CB 3.46Å; D210-S213 PolarHBondContact OD2-N 2.8Å; D210-S213 PolarHBondContact OD2-OG 2.97Å; D210-V214 PolarHBondContact O-N 3.19Å
211	L	89.6	Confident	88.1	Confident	9 Å²	9	57.6 Å²	57.6	5%	0.047	33%	0.328	C	S	.	.	H	α-helix	trans	-74.2	-17.8	-178	-61.6	169.8	0	0	0	112.9	V52 I54 L64 I202 K209 V214 Q215	V52-L211 HydrophobicContact CB-CB 4.25Å; V52-L211 HydrophobicContact CB-CD1 4.49Å; V52-L211 HydrophobicContact CG1-CB 3.95Å; V52-L211 WeakPolarHBondContact O-CD1 3.45Å; I54-L211 HydrophobicContact CG2-CD1 4.11Å; I54-L211 HydrophobicContact CG2-CD2 4.21Å; L64-L211 HydrophobicContact CD2-CD2 4Å; I202-L211 HydrophobicContact CD1-CD2 4.43Å; K209-L211 PolarHBondContact O-N 3.01Å; L211-V214 HydrophobicContact CD2-CG2 4.27Å; L211-V214 WeakPolarHBondContact O-CB 3.24Å; L211-V214 PolarHBondContact O-N 3.1Å; L211-Q215 PolarHBondContact O-N 2.87Å; L211-Q215 VanDerWaalsContact O-N 3.1Å
212	I	84.6	Confident	88	Confident	56 Å²	56	57.6 Å²	57.6	29%	0.287	33%	0.326	S	S	.	.	H	α-helix	trans	-71	-41.6	172	-58.5	-56.8	0	0	0	110	V52 D210 V214 Q215 Q216	V52-I212 HydrophobicContact CB-CD1 4.47Å; V52-I212 HydrophobicContact CG1-CD1 4.03Å; V52-I212 HydrophobicContact CG2-CD1 3.64Å; V52-I212 HydrophobicContact CG2-CG1 3.99Å; D210-I212 VanDerWaalsContact C-N 3.28Å; D210-I212 PolarHBondContact O-N 3.49Å; D210-I212 WeakPolarHBondContact OD1-CB 3.31Å; D210-I212 PolarHBondContact OD1-N 2.89Å; I212-V214 PolarHBondContact O-N 2.66Å; I212-Q215 WeakPolarHBondContact O-CB 3.38Å; I212-Q215 PolarHBondContact O-N 2.79Å; I212-Q215 VanDerWaalsContact O-N 3.16Å; I212-Q216 WeakPolarHBondContact O-CG 3.47Å; I212-Q216 PolarHBondContact O-N 2.84Å
213	S	86.7	Confident	87.4	Confident	29 Å²	29	58.7 Å²	58.7	20%	0.203	33%	0.333	C	S	.	.	H	α-helix	trans	-61.5	-33.6	172	-68.5	0	0	0	0	112.4	D210 Q216 G217 S218 L219	D210-S213 PolarHBondContact O-N 2.84Å; D210-S213 WeakPolarHBondContact OD2-CB 3.46Å; D210-S213 PolarHBondContact OD2-N 2.8Å; D210-S213 PolarHBondContact OD2-OG 2.97Å; S213-Q216 PolarHBondContact O-N 2.96Å; S213-G217 PolarHBondContact O-N 3.08Å; S213-S218 WeakPolarHBondContact CA-OG 3.33Å; S213-S218 WeakPolarHBondContact CB-OG 3.2Å; S213-S218 PolarHBondContact O-N 2.02Å; S213-S218 PolarHBondContact O-OG 3.13Å; S213-L219 PolarHBondContact O-N 3.41Å
214	V	88.3	Confident	86.6	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.012	33%	0.328	C	S	.	.	H	α-helix	trans	-62.5	-48	172.1	178.8	0	0	0	0	110.9	L64 L66 D210 L211 I212 Q216 G217 L219 F222 I227	L64-V214 HydrophobicContact CD1-CG1 3.72Å; L64-V214 HydrophobicContact CD1-CG2 4.41Å; L66-V214 HydrophobicContact CD2-CG2 3.82Å; D210-V214 PolarHBondContact O-N 3.19Å; L211-V214 HydrophobicContact CD2-CG2 4.27Å; L211-V214 WeakPolarHBondContact O-CB 3.24Å; L211-V214 PolarHBondContact O-N 3.1Å; I212-V214 PolarHBondContact O-N 2.66Å; V214-Q216 PolarHBondContact O-N 3.33Å; V214-G217 PolarHBondContact O-N 3.1Å; V214-L219 WeakPolarHBondContact CA-O 3.31Å; V214-L219 HydrophobicContact CG2-CB 4.27Å; V214-L219 HydrophobicContact CG2-CD2 4.17Å; V214-L219 HydrophobicContact CG2-CG 4.23Å; V214-L219 WeakPolarHBondContact CG2-O 3.45Å; V214-F222 HydrophobicContact CG1-CD1 3.58Å; V214-F222 HydrophobicContact CG1-CE1 3.99Å; V214-F222 HydrophobicContact CG1-CG 4.38Å; V214-F222 WeakPolarHBondContact O-CE1 3.24Å; V214-I227 HydrophobicContact CG1-CD1 4.12Å
215	Q	81.9	Confident	86.2	Confident	107 Å²	107	58.2 Å²	58.2	50%	0.5	33%	0.333	S	S	.	.	H	α-helix	trans	-59.9	-33	177.9	-174.2	177.5	-15.5	0	0	113	L211 I212 G217 I227	L211-Q215 PolarHBondContact O-N 2.87Å; L211-Q215 VanDerWaalsContact O-N 3.1Å; I212-Q215 WeakPolarHBondContact O-CB 3.38Å; I212-Q215 PolarHBondContact O-N 2.79Å; I212-Q215 VanDerWaalsContact O-N 3.16Å; Q215-G217 PolarHBondContact O-N 3.47Å; Q215-I227 HydrophobicContact CB-CB 4.32Å; Q215-I227 HydrophobicContact CB-CD1 3.68Å; Q215-I227 HydrophobicContact CB-CG2 4.08Å; Q215-I227 HydrophobicContact CG-CB 4.45Å; Q215-I227 HydrophobicContact CG-CD1 4.23Å
216	Q	81.7	Confident	86	Confident	141 Å²	141	60.3 Å²	60.3	66%	0.659	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-4.4	176.8	-66.8	171.7	3.8	0	0	113.4	I212 S213 V214 S218	I212-Q216 WeakPolarHBondContact O-CG 3.47Å; I212-Q216 PolarHBondContact O-N 2.84Å; S213-Q216 PolarHBondContact O-N 2.96Å; V214-Q216 PolarHBondContact O-N 3.33Å; Q216-S218 PolarHBondContact O-N 2.81Å
217	G	82.8	Confident	86.1	Confident	60 Å²	60	56.3 Å²	56.3	62%	0.619	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	12.1	-177.1	0	0	0	0	0	114.3	S213 V214 Q215	S213-G217 PolarHBondContact O-N 3.08Å; V214-G217 PolarHBondContact O-N 3.1Å; Q215-G217 PolarHBondContact O-N 3.47Å
218	S	85.1	Confident	85.9	Confident	83 Å²	83	54 Å²	54	58%	0.58	31%	0.311	S	S	*	.	S	Bend	trans	-90	-13.8	179.2	63.6	0	0	0	0	113.1	S213 Q216	S213-S218 WeakPolarHBondContact CA-OG 3.33Å; S213-S218 WeakPolarHBondContact CB-OG 3.2Å; S213-S218 PolarHBondContact O-N 2.02Å; S213-S218 PolarHBondContact O-OG 3.13Å; Q216-S218 PolarHBondContact O-N 2.81Å
219	L	88.6	Confident	85.4	Confident	39 Å²	39	54.4 Å²	54.4	20%	0.204	31%	0.309	C	S	.	.	S	Bend	trans	-135.6	125.3	179	-179.2	65.9	0	0	0	111.7	L66 P67 S213 V214	L66-L219 HydrophobicContact CD2-CD2 4.38Å; L66-L219 HydrophobicContact CD2-CG 4.29Å; P67-L219 HydrophobicContact CG-CD1 3.67Å; S213-L219 PolarHBondContact O-N 3.41Å; V214-L219 WeakPolarHBondContact CA-O 3.31Å; V214-L219 HydrophobicContact CG2-CB 4.27Å; V214-L219 HydrophobicContact CG2-CD2 4.17Å; V214-L219 HydrophobicContact CG2-CG 4.23Å; V214-L219 WeakPolarHBondContact CG2-O 3.45Å
220	G	89.3	Confident	85	Confident	41 Å²	41	53.8 Å²	53.8	42%	0.423	31%	0.309	S	S	.	.			trans	71.6	-167.7	173	0	0	0	0	0	114.2	L65	L65-G220 CarbonylContact O-C 3.5Å; L65-G220 WeakPolarHBondContact O-CA 3.44Å
221	N	88.8	Confident	84.5	Confident	83 Å²	83	52.8 Å²	52.8	44%	0.444	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	150.5	174.8	-171.9	14.1	0	0	0	108.9	Y63 L65	Y63-N221 PolarHBondContact OH-ND2 3.46Å; L65-N221 WeakPolarHBondContact CA-O 3.22Å; L65-N221 HydrophobicContact CB-CB 4.24Å; L65-N221 WeakPolarHBondContact CB-O 3.4Å; L65-N221 HydrophobicContact CD2-CB 4.26Å; L65-N221 PolarHBondContact N-O 2.95Å; L65-N221 PolarHBondContact O-N 2.92Å
222	F	89.9	Confident	84.2	Confident	68 Å²	68	53.5 Å²	53.5	30%	0.298	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	159.6	-179.5	65.6	-86.2	0	0	0	112.3	Y63 L64 V214 L225 I227	Y63-F222 VanDerWaalsContact O-CA 3.25Å; Y63-F222 WeakPolarHBondContact O-CA 2.94Å; Y63-F222 WeakPolarHBondContact O-CB 3Å; L64-F222 HydrophobicContact CD1-CB 4.09Å; V214-F222 HydrophobicContact CG1-CD1 3.58Å; V214-F222 HydrophobicContact CG1-CE1 3.99Å; V214-F222 HydrophobicContact CG1-CG 4.38Å; V214-F222 WeakPolarHBondContact O-CE1 3.24Å; F222-L225 HydrophobicContact CB-CD1 3.51Å; F222-L225 HydrophobicContact CB-CG 4.11Å; F222-L225 HydrophobicContact CD2-CB 4.04Å; F222-L225 HydrophobicContact CD2-CD1 4.09Å; F222-L225 HydrophobicContact CD2-CG 4.09Å; F222-L225 HydrophobicContact CG-CD1 4.03Å; F222-L225 HydrophobicContact CG-CG 4.49Å; F222-I227 HydrophobicContact CE1-CD1 4.37Å; F222-I227 HydrophobicContact CE2-CD1 4.42Å; F222-I227 HydrophobicContact CZ-CD1 4.18Å
223	S	83.4	Confident	84.1	Confident	25 Å²	25	57.4 Å²	57.4	18%	0.175	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	143.6	170	-175.9	0	0	0	0	109.2	S62 Y63 L225	S62-S223 WeakPolarHBondContact CA-O 3.41Å; Y63-S223 PolarHBondContact N-O 3.49Å; Y63-S223 PolarHBondContact O-N 3.09Å; Y63-S223 VanDerWaalsContact O-N 3.07Å; S223-L225 PolarHBondContact O-N 3.48Å
224	D	77.3	Confident	84.1	Confident	11 Å²	11	59.4 Å²	59.4	6%	0.059	34%	0.335	C	S	.	.	S	Bend	trans	52.7	51.9	171.3	-63.5	-33.8	0	0	0	114	V57 N58 S61 S62 S816 M817	V57-D224 HydrophobicContact CG2-CB 4.18Å; V57-D224 VanDerWaalsContact CG2-O 3.3Å; V57-D224 WeakPolarHBondContact CG2-O 3.46Å; V57-D224 PolarHBondContact N-O 2.96Å; N58-D224 HydrophobicContact CB-CB 3.92Å; N58-D224 PolarHBondContact ND2-OD2 3.14Å; S61-D224 WeakPolarHBondContact CB-OD2 3.5Å; S61-D224 PolarHBondContact OG-OD2 3.38Å; S62-D224 VanDerWaalsContact OG-CB 3.24Å; S62-D224 WeakPolarHBondContact OG-CB 3.27Å; S62-D224 PolarHBondContact OG-O 2.97Å; D224-S816 WeakPolarHBondContact CB-OG 3.37Å; D224-S816 WeakPolarHBondContact OD1-CB 3.14Å; D224-S816 PolarHBondContact OD1-OG 3.38Å; D224-M817 PolarHBondContact OD1-N 2.88Å
225	L	84.7	Confident	83.9	Confident	19 Å²	19	62 Å²	62	10%	0.099	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	143.9	175.8	-55.4	-175.9	0	0	0	112.3	T55 F56 L64 F222 S223	T55-L225 VanDerWaalsContact O-CA 3.29Å; T55-L225 WeakPolarHBondContact O-CA 3.34Å; F56-L225 HydrophobicContact CB-CD2 4.23Å; F56-L225 HydrophobicContact CD1-CD2 3.26Å; F56-L225 HydrophobicContact CD2-CD2 4.37Å; F56-L225 HydrophobicContact CE1-CD2 3.52Å; F56-L225 HydrophobicContact CG-CD2 3.72Å; F56-L225 HydrophobicContact CZ-CD2 4.2Å; L64-L225 HydrophobicContact CB-CD1 3.83Å; L64-L225 HydrophobicContact CD1-CD1 4.29Å; L64-L225 HydrophobicContact CG-CD1 4.48Å; F222-L225 HydrophobicContact CB-CD1 3.51Å; F222-L225 HydrophobicContact CB-CG 4.11Å; F222-L225 HydrophobicContact CD2-CB 4.04Å; F222-L225 HydrophobicContact CD2-CD1 4.09Å; F222-L225 HydrophobicContact CD2-CG 4.09Å; F222-L225 HydrophobicContact CG-CD1 4.03Å; F222-L225 HydrophobicContact CG-CG 4.49Å; S223-L225 PolarHBondContact O-N 3.48Å
226	H	83.6	Confident	84.2	Confident	65 Å²	65	58 Å²	58	30%	0.301	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	123.7	159.1	-61.2	-39.1	0	0	0	109.6	I54 T55 V57 D815	I54-H226 CarbonylContact C-O 3.6Å; I54-H226 VanDerWaalsContact CA-O 3.31Å; I54-H226 WeakPolarHBondContact CA-O 3.34Å; T55-H226 PolarHBondContact N-O 2.5Å; T55-H226 PolarHBondContact O-N 3.32Å; V57-H226 VanDerWaalsContact CG1-CD2 3.44Å; V57-H226 WeakPolarHBondContact CG1-CD2 3.46Å; H226-D815 PolarHBondContact CE1-O 3.05Å
227	I	85	Confident	84.2	Confident	25 Å²	25	59 Å²	59	13%	0.128	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	143.3	-178.9	-55.3	171.7	0	0	0	109	V52 I54 V214 Q215 F222 L229	V52-I227 HydrophobicContact CG1-CG2 3.82Å; I54-I227 HydrophobicContact CG2-CB 4.37Å; I54-I227 HydrophobicContact CG2-CG1 4Å; I54-I227 HydrophobicContact CG2-CG2 4.18Å; V214-I227 HydrophobicContact CG1-CD1 4.12Å; Q215-I227 HydrophobicContact CB-CB 4.32Å; Q215-I227 HydrophobicContact CB-CD1 3.68Å; Q215-I227 HydrophobicContact CB-CG2 4.08Å; Q215-I227 HydrophobicContact CG-CB 4.45Å; Q215-I227 HydrophobicContact CG-CD1 4.23Å; F222-I227 HydrophobicContact CE1-CD1 4.37Å; F222-I227 HydrophobicContact CE2-CD1 4.42Å; F222-I227 HydrophobicContact CZ-CD1 4.18Å; I227-L229 PolarHBondContact O-N 3.19Å
228	D	82.1	Confident	84.3	Confident	71 Å²	71	59.6 Å²	59.6	38%	0.38	32%	0.324	S	S	.	.	S	Bend	trans	65.7	18	-174.9	-156	33.8	0	0	0	114.4	Q50 V52 P53	Q50-D228 PolarHBondContact NE2-OD1 3Å; Q50-D228 VanDerWaalsContact NE2-OD1 3.1Å; Q50-D228 PolarHBondContact NE2-OD2 3.18Å; V52-D228 HydrophobicContact CG1-CB 3.95Å; P53-D228 WeakPolarHBondContact O-CA 3.5Å; P53-D228 PolarHBondContact O-N 3.17Å
229	L	79	Confident	84.2	Confident	92 Å²	92	60 Å²	60	48%	0.482	32%	0.319	S	S	.	.			trans	-142.6	138.5	178	-172.9	65.6	0	0	0	110.5	T55 I227 S231	T55-L229 PolarHBondContact OG1-O 3.3Å; I227-L229 PolarHBondContact O-N 3.19Å; L229-S231 WeakPolarHBondContact CD2-OG 3.44Å; L229-S231 VanDerWaalsContact CG-OG 3.26Å; L229-S231 WeakPolarHBondContact CG-OG 3.3Å
230	C	85.2	Confident	84.1	Confident	26 Å²	26	61.5 Å²	61.5	18%	0.176	32%	0.323	C	S	.	.			trans	-121.8	92.7	172.2	179.8	0	0	0	0	111.9	P53 T55 R82 C198 I232	P53-C230 HydrophobicContact CB-CB 3.97Å; P53-C230 HydrophobicContact CG-CB 4.03Å; T55-C230 VanDerWaalsContact OG1-CA 3.26Å; T55-C230 WeakPolarHBondContact OG1-CA 2.99Å; R82-C230 VanDerWaalsContact CZ-SG 3.5Å; R82-C230 PolarHBondContact NE-SG 3.4Å; R82-C230 PolarHBondContact NH2-SG 2.86Å; C198-C230 HydrophobicContact CB-CB 3.94Å; C198-C230 WeakPolarHBondContact CB-SG 3.48Å; C198-C230 WeakPolarHBondContact SG-CA 3.42Å; C198-C230 WeakPolarHBondContact SG-CB 3.22Å; C198-C230 CovalentContact SG-SG 2.02Å; C198-C230 PolarHBondContact SG-SG 2.99Å; C230-I232 PolarHBondContact O-N 3.03Å
231	S	77.3	Confident	84.2	Confident	56 Å²	56	59.9 Å²	59.9	39%	0.392	31%	0.305	S	S	.	.			trans	-95.6	39.6	-168.6	-60.2	0	0	0	0	114.7	T55 L229 K233	T55-S231 PolarHBondContact OG1-N 2.61Å; L229-S231 WeakPolarHBondContact CD2-OG 3.44Å; L229-S231 VanDerWaalsContact CG-OG 3.26Å; L229-S231 WeakPolarHBondContact CG-OG 3.3Å; S231-K233 PolarHBondContact O-N 3.19Å
232	I	84	Confident	84.1	Confident	25 Å²	25	58.8 Å²	58.8	13%	0.128	30%	0.297	C	S	.	.			trans	-74	130.3	171	76.8	172.8	0	0	0	109.4	R82 C230 W251	R82-I232 HydrophobicContact CG-CD1 3.96Å; C230-I232 PolarHBondContact O-N 3.03Å; I232-W251 HydrophobicContact CB-CZ3 4.46Å; I232-W251 HydrophobicContact CG2-CH2 4.39Å; I232-W251 HydrophobicContact CG2-CZ3 3.77Å
233	K	82	Confident	84	Confident	137 Å²	137	56.8 Å²	56.8	60%	0.596	29%	0.289	S	S	*	.			trans	-107	127.2	178.1	177.3	178.6	-176.9	176.6	0	109.9	W84 S231 R235	W84-K233 PolarHBondContact NE1-O 2.83Å; W84-K233 VanDerWaalsContact NE1-O 3.16Å; S231-K233 PolarHBondContact O-N 3.19Å; K233-R235 HydrophobicContact CG-CG 4.38Å; K233-R235 PolarHBondContact O-N 3.27Å; K233-R235 PolarHBondContact O-NH1 2.78Å
234	D	85.4	Confident	84.2	Confident	71 Å²	71	58.7 Å²	58.7	38%	0.38	31%	0.312	S	S	.	.			trans	-78.4	110.8	169.2	-169.1	-11.3	0	0	0	109.2	W84 C236 F237 Q249	W84-D234 HydrophobicContact CZ2-CB 3.97Å; D234-C236 PolarHBondContact OD1-N 3.43Å; D234-F237 HydrophobicContact CB-CB 4.39Å; D234-F237 PolarHBondContact OD1-N 2.68Å; D234-Q249 PolarHBondContact OD1-NE2 3Å
235	R	85	Confident	84.9	Confident	56 Å²	56	58.3 Å²	58.3	21%	0.211	31%	0.311	C	S	.	.	S	Bend	trans	-93.9	-11.9	-179.8	-65.1	172.2	171.2	68.9	0.7	112.5	K233 F237 Q249 W251 T252 F254	K233-R235 HydrophobicContact CG-CG 4.38Å; K233-R235 PolarHBondContact O-N 3.27Å; K233-R235 PolarHBondContact O-NH1 2.78Å; R235-F237 VanDerWaalsContact C-N 3.3Å; R235-Q249 HydrophobicContact CB-CB 4.49Å; R235-W251 PolarHBondContact NH1-O 2.62Å; R235-W251 PolarHBondContact NH2-O 2.9Å; R235-T252 VanDerWaalsContact NE-C 3.35Å; R235-T252 PolarHBondContact NE-O 3.37Å; R235-F254 HydrophobicContact CB-CB 4.04Å; R235-F254 HydrophobicContact CB-CD1 4.48Å
236	C	88.1	Confident	85.3	Confident	23 Å²	23	63.5 Å²	63.5	16%	0.155	34%	0.335	C	S	.	.	S	Bend	trans	-89.1	2.7	171.6	-74.8	0	0	0	0	112.5	D234 P238 N239 C247	D234-C236 PolarHBondContact OD1-N 3.43Å; C236-P238 CarbonylContact C-O 3.54Å; C236-P238 CarbonylContact O-C 3.59Å; C236-N239 WeakPolarHBondContact O-CA 3.26Å; C236-N239 PolarHBondContact O-N 3.31Å; C236-N239 VanDerWaalsContact O-N 3.09Å; C236-C247 WeakPolarHBondContact CA-SG 3.34Å; C236-C247 HydrophobicContact CB-CB 3.78Å; C236-C247 WeakPolarHBondContact CB-SG 3.38Å; C236-C247 VanDerWaalsContact SG-C 3.52Å; C236-C247 WeakPolarHBondContact SG-CB 3.19Å; C236-C247 CovalentContact SG-SG 2.04Å; C236-C247 PolarHBondContact SG-SG 3.47Å
237	F	82.7	Confident	85.8	Confident	163 Å²	163	61.2 Å²	61.2	72%	0.715	33%	0.326	S	S	*	.	S	Bend	trans	-122.7	118.7	175.3	-169.3	-99.6	0	0	0	112.2	D234 R235	D234-F237 HydrophobicContact CB-CB 4.39Å; D234-F237 PolarHBondContact OD1-N 2.68Å; R235-F237 VanDerWaalsContact C-N 3.3Å
238	P	84.3	Confident	86.1	Confident	73 Å²	73	63.2 Å²	63.2	47%	0.474	34%	0.339	S	S	.	.	S	Bend	cis	-64.7	155.1	-6.8	30.3	-35.8	0	0	0	111.8	C236 Y240	C236-P238 CarbonylContact C-O 3.54Å; C236-P238 CarbonylContact O-C 3.59Å; P238-Y240 HydrophobicContact CG-CE1 4.13Å; P238-Y240 WeakPolarHBondContact O-CD2 3.15Å; P238-Y240 WeakPolarHBondContact O-CE2 3.26Å; P238-Y240 PolarHBondContact O-N 3.13Å
239	N	83.3	Confident	86.4	Confident	91 Å²	91	60.8 Å²	60.8	49%	0.487	33%	0.326	S	S	.	.			trans	-71	115.3	-179.3	-174.4	4.8	0	0	0	110.1	C236 C241 C247	C236-N239 WeakPolarHBondContact O-CA 3.26Å; C236-N239 PolarHBondContact O-N 3.31Å; C236-N239 VanDerWaalsContact O-N 3.09Å; N239-C241 VanDerWaalsContact OD1-CB 3.28Å; N239-C241 WeakPolarHBondContact OD1-CB 3.29Å; N239-C241 PolarHBondContact OD1-N 3.04Å; N239-C241 PolarHBondContact OD1-SG 3.03Å; N239-C247 WeakPolarHBondContact OD1-CB 3.43Å
240	Y	85.8	Confident	86.8	Confident	70 Å²	70	58.5 Å²	58.5	28%	0.275	32%	0.316	S	S	.	.			trans	-87.7	-4.6	178	-63.1	-67.4	0	0	0	113.5	P238 E242 F254 T267 F609	P238-Y240 HydrophobicContact CG-CE1 4.13Å; P238-Y240 WeakPolarHBondContact O-CD2 3.15Å; P238-Y240 WeakPolarHBondContact O-CE2 3.26Å; P238-Y240 PolarHBondContact O-N 3.13Å; Y240-E242 PolarHBondContact O-N 3.09Å; Y240-F254 HydrophobicContact CD2-CE1 4.12Å; Y240-F254 HydrophobicContact CD2-CE2 4.45Å; Y240-F254 HydrophobicContact CD2-CZ 4.03Å; Y240-F254 HydrophobicContact CG-CZ 4.23Å; Y240-T267 WeakPolarHBondContact O-CB 3.21Å; Y240-F609 AromaticContact CD1-CE2 3.82Å; Y240-F609 HydrophobicContact CD1-CE2 3.82Å; Y240-F609 HydrophobicContact CD1-CZ 4.31Å; Y240-F609 HydrophobicContact CE1-CE2 4.46Å; Y240-F609 AromaticContact CG-CE2 3.95Å; Y240-F609 HydrophobicContact CG-CE2 3.95Å
241	C	90.9	Very high	86.7	Confident	8 Å²	8	58 Å²	58	5%	0.054	31%	0.31	C	S	.	.			trans	-82.2	106.7	176.8	-51.7	0	0	0	0	109.6	N239 G245 C247 C256	N239-C241 VanDerWaalsContact OD1-CB 3.28Å; N239-C241 WeakPolarHBondContact OD1-CB 3.29Å; N239-C241 PolarHBondContact OD1-N 3.04Å; N239-C241 PolarHBondContact OD1-SG 3.03Å; C241-G245 VanDerWaalsContact CB-O 3.29Å; C241-G245 WeakPolarHBondContact CB-O 3.43Å; C241-C247 VanDerWaalsContact SG-CA 3.55Å; C241-C247 WeakPolarHBondContact SG-CB 3.16Å; C241-C256 WeakPolarHBondContact CA-SG 3.37Å; C241-C256 HydrophobicContact CB-CB 3.69Å; C241-C256 WeakPolarHBondContact CB-SG 3.35Å; C241-C256 WeakPolarHBondContact SG-CA 3.22Å; C241-C256 WeakPolarHBondContact SG-CB 3.23Å; C241-C256 CovalentContact SG-SG 2.02Å; C241-C256 PolarHBondContact SG-SG 2.61Å
242	E	87.2	Confident	86.7	Confident	60 Å²	60	58.5 Å²	58.5	28%	0.28	31%	0.311	S	S	.	.			trans	-75.5	169.8	-178.7	-63.7	176.4	-159.4	0	0	111.5	Y240 G244 G245 T267 C268 H269	Y240-E242 PolarHBondContact O-N 3.09Å; E242-G244 PolarHBondContact O-N 3.41Å; E242-G245 PolarHBondContact O-N 3.09Å; E242-T267 PolarHBondContact N-O 3.5Å; E242-C268 WeakPolarHBondContact O-CB 3.26Å; E242-H269 IonicContact OE1-ND1 3.74Å; E242-H269 IonicContact OE2-CE1 2.99Å; E242-H269 IonicContact OE2-CG 2.77Å; E242-H269 IonicContact OE2-ND1 2.58Å; E242-H269 PolarHBondContact OE2-ND1 3.36Å
243	H	87.1	Confident	86.6	Confident	25 Å²	25	58.9 Å²	58.9	12%	0.116	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	27	175	-49.4	105.1	0	0	0	115.4	Y263 C268 G298 L300	H243-Y263 HydrophobicContact CB-CD2 3.32Å; H243-Y263 HydrophobicContact CB-CE2 3.55Å; H243-Y263 HydrophobicContact CB-CG 3.93Å; H243-Y263 AromaticContact CD2-CE2 3.85Å; H243-Y263 AromaticContact CD2-CZ 3.8Å; H243-Y263 AromaticContact CE1-CD1 3.87Å; H243-Y263 AromaticContact CE1-CE1 3.83Å; H243-Y263 AromaticContact CG-CD1 3.92Å; H243-Y263 AromaticContact CG-CD2 3.46Å; H243-Y263 VanDerWaalsContact CG-CD2 3.46Å; H243-Y263 AromaticContact CG-CE1 3.93Å; H243-Y263 AromaticContact CG-CE2 3.45Å; H243-Y263 VanDerWaalsContact CG-CE2 3.45Å; H243-Y263 AromaticContact CG-CG 3.73Å; H243-Y263 AromaticContact CG-CZ 3.73Å; H243-Y263 AromaticContact ND1-CD1 3.44Å; H243-Y263 WeakPolarHBondContact ND1-CD1 3.31Å; H243-Y263 AromaticContact ND1-CD2 3.78Å; H243-Y263 AromaticContact ND1-CE1 3.73Å; H243-Y263 AromaticContact ND1-CG 3.52Å; H243-C268 PolarHBondContact ND1-O 3.44Å; H243-G298 PolarHBondContact NE2-O 3.27Å; H243-L300 PolarHBondContact CD2-O 3.4Å
244	G	88.1	Confident	86.8	Confident	65 Å²	65	53.6 Å²	53.6	67%	0.67	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	16.8	-179.7	0	0	0	0	0	114.4	E242	E242-G244 PolarHBondContact O-N 3.41Å
245	G	92.2	Very high	87.1	Confident	4 Å²	4	56 Å²	56	4%	0.041	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-58.5	143.5	172.5	0	0	0	0	0	112.6	C241 E242 N257	C241-G245 VanDerWaalsContact CB-O 3.29Å; C241-G245 WeakPolarHBondContact CB-O 3.43Å; E242-G245 PolarHBondContact O-N 3.09Å; G245-N257 WeakPolarHBondContact CA-O 3.49Å
246	H	94.1	Very high	87.5	Confident	127 Å²	127	54.4 Å²	54.4	59%	0.588	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	120.4	-179.3	-174.5	62.3	0	0	0	111	N257	H246-N257 HydrophobicContact CB-CB 4.33Å; H246-N257 PolarHBondContact N-O 3.05Å; H246-N257 VanDerWaalsContact N-O 3.08Å; H246-N257 PolarHBondContact O-N 2.79Å
247	C	93.2	Very high	87.8	Confident	18 Å²	18	57 Å²	57	12%	0.122	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	128.8	178.3	-167.5	0	0	0	0	111.6	C236 N239 C241	C236-C247 WeakPolarHBondContact CA-SG 3.34Å; C236-C247 HydrophobicContact CB-CB 3.78Å; C236-C247 WeakPolarHBondContact CB-SG 3.38Å; C236-C247 VanDerWaalsContact SG-C 3.52Å; C236-C247 WeakPolarHBondContact SG-CB 3.19Å; C236-C247 CovalentContact SG-SG 2.04Å; C236-C247 PolarHBondContact SG-SG 3.47Å; N239-C247 WeakPolarHBondContact OD1-CB 3.43Å; C241-C247 VanDerWaalsContact SG-CA 3.55Å; C241-C247 WeakPolarHBondContact SG-CB 3.16Å
248	T	91.4	Very high	88.4	Confident	66 Å²	66	50.3 Å²	50.3	41%	0.405	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	157.2	168.6	57.8	0	0	0	0	109.3	F254 Y255	T248-F254 CarbonylContact O-C 3.59Å; T248-F254 VanDerWaalsContact O-CA 3.3Å; T248-F254 WeakPolarHBondContact O-CA 3.13Å; T248-Y255 PolarHBondContact N-O 3.23Å; T248-Y255 PolarHBondContact O-N 3.43Å; T248-Y255 PolarHBondContact OG1-O 3.12Å
249	Q	88.7	Confident	88.8	Confident	21 Å²	21	50.4 Å²	50.4	10%	0.098	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	159.1	-175.4	63.8	-179.1	-38.1	0	0	113.7	W84 D234 R235 N253 F254	W84-Q249 HydrophobicContact CB-CG 4.3Å; W84-Q249 HydrophobicContact CD2-CG 3.89Å; W84-Q249 HydrophobicContact CE3-CG 3.82Å; W84-Q249 HydrophobicContact CG-CG 4.11Å; W84-Q249 VanDerWaalsContact CH2-NE2 3.28Å; W84-Q249 HydrophobicContact CZ3-CG 4.41Å; W84-Q249 VanDerWaalsContact CZ3-NE2 3.3Å; D234-Q249 PolarHBondContact OD1-NE2 3Å; R235-Q249 HydrophobicContact CB-CB 4.49Å; Q249-N253 WeakPolarHBondContact CA-O 2.76Å; Q249-F254 HydrophobicContact CB-CB 4.27Å
250	T	86.6	Confident	89.1	Confident	43 Å²	43	54.3 Å²	54.3	26%	0.264	30%	0.301	S	S	.	.			trans	-125	-178.4	173.1	65.4	0	0	0	0	109.8	T252 N253 Y255	T250-T252 PolarHBondContact O-N 3.39Å; T250-T252 VanDerWaalsContact O-N 3.12Å; T250-N253 PolarHBondContact N-O 2.89Å; T250-N253 PolarHBondContact OG1-N 2.94Å; T250-N253 PolarHBondContact OG1-O 3.02Å; T250-Y255 HydrophobicContact CG2-CE2 3.96Å
251	W	84	Confident	89.3	Confident	17 Å²	17	52 Å²	52	6%	0.064	29%	0.294	C	S	.	.	S	Bend	trans	-50.4	-35.7	174.8	-174.4	-102.8	0	0	0	113.8	T55 V57 N85 Q196 I232 R235	T55-W251 HydrophobicContact CG2-CH2 3.61Å; T55-W251 HydrophobicContact CG2-CZ2 4.3Å; V57-W251 HydrophobicContact CG1-CZ2 4.41Å; N85-W251 PolarHBondContact OD1-N 3.26Å; Q196-W251 HydrophobicContact CB-CD2 4.04Å; Q196-W251 HydrophobicContact CB-CE3 4Å; Q196-W251 HydrophobicContact CB-CG 4.24Å; I232-W251 HydrophobicContact CB-CZ3 4.46Å; I232-W251 HydrophobicContact CG2-CH2 4.39Å; I232-W251 HydrophobicContact CG2-CZ3 3.77Å; R235-W251 PolarHBondContact NH1-O 2.62Å; R235-W251 PolarHBondContact NH2-O 2.9Å
252	T	76.8	Confident	89.3	Confident	65 Å²	65	52.1 Å²	52.1	40%	0.399	30%	0.296	S	S	.	.	S	Bend	trans	-114.5	-23.3	-172.3	57.1	0	0	0	0	114.6	R235 T250	R235-T252 VanDerWaalsContact NE-C 3.35Å; R235-T252 PolarHBondContact NE-O 3.37Å; T250-T252 PolarHBondContact O-N 3.39Å; T250-T252 VanDerWaalsContact O-N 3.12Å
253	N	81.1	Confident	89.4	Confident	33 Å²	33	49.6 Å²	49.6	18%	0.176	28%	0.284	C	S	.	.			trans	-140.2	166.4	-169.9	-156.6	18.3	0	0	0	113.4	Q249 T250 Y255	Q249-N253 WeakPolarHBondContact CA-O 2.76Å; T250-N253 PolarHBondContact N-O 2.89Å; T250-N253 PolarHBondContact OG1-N 2.94Å; T250-N253 PolarHBondContact OG1-O 3.02Å; N253-Y255 HydrophobicContact CB-CE2 4.02Å; N253-Y255 PolarHBondContact ND2-OH 2.83Å
254	F	87.8	Confident	89.6	Confident	27 Å²	27	51.9 Å²	51.9	12%	0.118	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	159.5	165.1	75.8	-84.9	0	0	0	110.1	R235 Y240 T248 Q249 T267 P608 F609	R235-F254 HydrophobicContact CB-CB 4.04Å; R235-F254 HydrophobicContact CB-CD1 4.48Å; Y240-F254 HydrophobicContact CD2-CE1 4.12Å; Y240-F254 HydrophobicContact CD2-CE2 4.45Å; Y240-F254 HydrophobicContact CD2-CZ 4.03Å; Y240-F254 HydrophobicContact CG-CZ 4.23Å; T248-F254 CarbonylContact O-C 3.59Å; T248-F254 VanDerWaalsContact O-CA 3.3Å; T248-F254 WeakPolarHBondContact O-CA 3.13Å; Q249-F254 HydrophobicContact CB-CB 4.27Å; F254-T267 HydrophobicContact CE2-CG2 4.43Å; F254-T267 HydrophobicContact CZ-CG2 4.39Å; F254-P608 HydrophobicContact CZ-CG 4.12Å; F254-F609 HydrophobicContact CZ-CE2 4.27Å
255	Y	91.1	Very high	89.4	Confident	121 Å²	121	50.3 Å²	50.3	48%	0.475	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	133.6	-178.5	-57.1	-88	0	0	0	109	T248 T250 N253	T248-Y255 PolarHBondContact N-O 3.23Å; T248-Y255 PolarHBondContact O-N 3.43Å; T248-Y255 PolarHBondContact OG1-O 3.12Å; T250-Y255 HydrophobicContact CG2-CE2 3.96Å; N253-Y255 HydrophobicContact CB-CE2 4.02Å; N253-Y255 PolarHBondContact ND2-OH 2.83Å
256	C	93.4	Very high	89.1	Confident	22 Å²	22	53.1 Å²	53.1	15%	0.149	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	124	173.9	-62.5	0	0	0	0	109.8	C241 C258 A266 C268	C241-C256 WeakPolarHBondContact CA-SG 3.37Å; C241-C256 HydrophobicContact CB-CB 3.69Å; C241-C256 WeakPolarHBondContact CB-SG 3.35Å; C241-C256 WeakPolarHBondContact SG-CA 3.22Å; C241-C256 WeakPolarHBondContact SG-CB 3.23Å; C241-C256 CovalentContact SG-SG 2.02Å; C241-C256 PolarHBondContact SG-SG 2.61Å; C256-C258 PolarHBondContact O-N 3.16Å; C256-A266 WeakPolarHBondContact CB-O 3.49Å; C256-A266 PolarHBondContact SG-O 2.89Å; C256-A266 VanDerWaalsContact SG-O 3.41Å; C256-C268 VanDerWaalsContact CB-SG 3.59Å
257	N	94.9	Very high	88.8	Confident	79 Å²	79	47.8 Å²	47.8	42%	0.422	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	106.8	165.8	-174.7	-5.8	0	0	0	108.9	G245 H246 S259	G245-N257 WeakPolarHBondContact CA-O 3.49Å; H246-N257 HydrophobicContact CB-CB 4.33Å; H246-N257 PolarHBondContact N-O 3.05Å; H246-N257 VanDerWaalsContact N-O 3.08Å; H246-N257 PolarHBondContact O-N 2.79Å; N257-S259 VanDerWaalsContact C-N 3.33Å; N257-S259 WeakPolarHBondContact OD1-CB 3.26Å; N257-S259 PolarHBondContact OD1-N 2.98Å; N257-S259 PolarHBondContact OD1-OG 3.13Å
258	C	93.9	Very high	88.6	Confident	21 Å²	21	46.9 Å²	46.9	14%	0.142	28%	0.277	C	S	.	.			trans	-92.8	9.2	178.6	-45	0	0	0	0	113	C256 N260 T261 Y263 G265 C268	C256-C258 PolarHBondContact O-N 3.16Å; C258-N260 PolarHBondContact O-N 3Å; C258-T261 PolarHBondContact O-N 3.27Å; C258-T261 PolarHBondContact O-OG1 3.38Å; C258-Y263 WeakPolarHBondContact CB-O 3.31Å; C258-G265 PolarHBondContact SG-O 3.42Å; C258-C268 WeakPolarHBondContact CA-SG 3.16Å; C258-C268 HydrophobicContact CB-CB 3.76Å; C258-C268 WeakPolarHBondContact CB-SG 3.38Å; C258-C268 WeakPolarHBondContact SG-CA 3.26Å; C258-C268 WeakPolarHBondContact SG-CB 3.47Å; C258-C268 PolarHBondContact SG-N 2.81Å; C258-C268 VanDerWaalsContact SG-N 3.42Å; C258-C268 CovalentContact SG-SG 2.04Å; C258-C268 PolarHBondContact SG-SG 3.35Å
259	S	94	Very high	88.2	Confident	76 Å²	76	44.3 Å²	44.3	53%	0.531	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	135.2	177.6	-55	0	0	0	0	109.9	N257 T261	N257-S259 VanDerWaalsContact C-N 3.33Å; N257-S259 WeakPolarHBondContact OD1-CB 3.26Å; N257-S259 PolarHBondContact OD1-N 2.98Å; N257-S259 PolarHBondContact OD1-OG 3.13Å; S259-T261 PolarHBondContact O-N 3.04Å
260	N	89.4	Confident	87.7	Confident	173 Å²	173	45.1 Å²	45.1	93%	0.925	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	16.1	179.9	-47.4	-48.4	0	0	0	115.5	C258	C258-N260 PolarHBondContact O-N 3Å
261	T	89.9	Confident	87.6	Confident	22 Å²	22	43.8 Å²	43.8	14%	0.135	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-23.2	173.4	67.7	0	0	0	0	112.8	C258 S259 Y263	C258-T261 PolarHBondContact O-N 3.27Å; C258-T261 PolarHBondContact O-OG1 3.38Å; S259-T261 PolarHBondContact O-N 3.04Å; T261-Y263 VanDerWaalsContact C-N 3.33Å; T261-Y263 VanDerWaalsContact O-CD2 3.28Å; T261-Y263 WeakPolarHBondContact O-CD2 3.42Å; T261-Y263 PolarHBondContact OG1-N 3.48Å; T261-Y263 VanDerWaalsContact OG1-N 3.14Å
262	G	89.7	Confident	87.8	Confident	10 Å²	10	47.5 Å²	47.5	10%	0.103	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	12.8	-168.2	0	0	0	0	0	113.5	I272	G262-I272 WeakPolarHBondContact O-CG1 3.42Å; G262-I272 PolarHBondContact O-N 2.9Å; G262-I272 VanDerWaalsContact O-N 3.16Å
263	Y	90.3	Very high	88.3	Confident	7 Å²	7	47.4 Å²	47.4	3%	0.027	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	162.7	179.6	-62	-94.1	0	0	0	111.2	H243 C258 T261 C268 D270 D293 G296 L300 P302	H243-Y263 HydrophobicContact CB-CD2 3.32Å; H243-Y263 HydrophobicContact CB-CE2 3.55Å; H243-Y263 HydrophobicContact CB-CG 3.93Å; H243-Y263 AromaticContact CD2-CE2 3.85Å; H243-Y263 AromaticContact CD2-CZ 3.8Å; H243-Y263 AromaticContact CE1-CD1 3.87Å; H243-Y263 AromaticContact CE1-CE1 3.83Å; H243-Y263 AromaticContact CG-CD1 3.92Å; H243-Y263 AromaticContact CG-CD2 3.46Å; H243-Y263 VanDerWaalsContact CG-CD2 3.46Å; H243-Y263 AromaticContact CG-CE1 3.93Å; H243-Y263 AromaticContact CG-CE2 3.45Å; H243-Y263 VanDerWaalsContact CG-CE2 3.45Å; H243-Y263 AromaticContact CG-CG 3.73Å; H243-Y263 AromaticContact CG-CZ 3.73Å; H243-Y263 AromaticContact ND1-CD1 3.44Å; H243-Y263 WeakPolarHBondContact ND1-CD1 3.31Å; H243-Y263 AromaticContact ND1-CD2 3.78Å; H243-Y263 AromaticContact ND1-CE1 3.73Å; H243-Y263 AromaticContact ND1-CG 3.52Å; C258-Y263 WeakPolarHBondContact CB-O 3.31Å; T261-Y263 VanDerWaalsContact C-N 3.33Å; T261-Y263 VanDerWaalsContact O-CD2 3.28Å; T261-Y263 WeakPolarHBondContact O-CD2 3.42Å; T261-Y263 PolarHBondContact OG1-N 3.48Å; T261-Y263 VanDerWaalsContact OG1-N 3.14Å; Y263-C268 WeakPolarHBondContact CB-O 3.12Å; Y263-D270 CarbonylContact C-O 3.19Å; Y263-D270 VanDerWaalsContact CA-O 3.25Å; Y263-D270 WeakPolarHBondContact CA-O 3.41Å; Y263-D293 VanDerWaalsContact CE1-OD2 3.25Å; Y263-D293 WeakPolarHBondContact CE1-OD2 3.41Å; Y263-D293 VanDerWaalsContact CZ-OD2 3.26Å; Y263-D293 PolarHBondContact OH-OD1 2.78Å; Y263-D293 PolarHBondContact OH-OD2 3.17Å; Y263-G296 WeakPolarHBondContact CE1-O 3.45Å; Y263-L300 PolarHBondContact OH-O 3.33Å; Y263-P302 HydrophobicContact CE2-CG 4.25Å; Y263-P302 WeakPolarHBondContact OH-CD 3.21Å
264	T	90.1	Very high	88.4	Confident	73 Å²	73	48 Å²	48	45%	0.448	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	-176.9	-178.6	-166.4	0	0	0	0	111	C268 H269 D270 I272	T264-C268 CarbonylContact O-C 3.52Å; T264-C268 VanDerWaalsContact O-CA 3.3Å; T264-C268 WeakPolarHBondContact O-CA 3.4Å; T264-H269 PolarHBondContact O-N 3.06Å; T264-D270 HydrophobicContact CG2-CB 3.91Å; T264-D270 PolarHBondContact N-O 3.14Å; T264-D270 PolarHBondContact O-N 2.92Å; T264-D270 VanDerWaalsContact O-N 3.13Å; T264-I272 HydrophobicContact CG2-CG2 3.83Å
265	G	85.2	Confident	88	Confident	32 Å²	32	51 Å²	51	33%	0.33	29%	0.287	S	S	.	.	S	Bend	trans	87.6	175	-175	0	0	0	0	0	112.9	C258 T267 C268	C258-G265 PolarHBondContact SG-O 3.42Å; G265-T267 PolarHBondContact O-N 3.15Å; G265-T267 VanDerWaalsContact O-N 3.16Å; G265-C268 PolarHBondContact O-N 2.72Å
266	A	85.4	Confident	87.5	Confident	63 Å²	63	45.8 Å²	45.8	52%	0.521	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-22.3	-171.9	0	0	0	0	0	114.1	C256 P608	C256-A266 WeakPolarHBondContact CB-O 3.49Å; C256-A266 PolarHBondContact SG-O 2.89Å; C256-A266 VanDerWaalsContact SG-O 3.41Å; A266-P608 HydrophobicContact CB-CB 4Å; A266-P608 HydrophobicContact CB-CG 4.26Å
267	T	87.7	Confident	87.2	Confident	14 Å²	14	44.9 Å²	44.9	9%	0.086	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.9	12	-177.2	52.4	0	0	0	0	112.9	Y240 E242 F254 G265 H269 P608 F609	Y240-T267 WeakPolarHBondContact O-CB 3.21Å; E242-T267 PolarHBondContact N-O 3.5Å; F254-T267 HydrophobicContact CE2-CG2 4.43Å; F254-T267 HydrophobicContact CZ-CG2 4.39Å; G265-T267 PolarHBondContact O-N 3.15Å; G265-T267 VanDerWaalsContact O-N 3.16Å; T267-H269 PolarHBondContact O-N 2.9Å; T267-P608 HydrophobicContact CG2-CB 4.15Å; T267-P608 HydrophobicContact CG2-CG 4.2Å; T267-F609 HydrophobicContact CG2-CE2 3.89Å; T267-F609 HydrophobicContact CG2-CZ 3.74Å
268	C	89.9	Confident	86.4	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.25	C	S	.	.	S	Bend	trans	58.2	34.6	-174.5	-42.9	0	0	0	0	113.3	E242 H243 C256 C258 Y263 T264 G265	E242-C268 WeakPolarHBondContact O-CB 3.26Å; H243-C268 PolarHBondContact ND1-O 3.44Å; C256-C268 VanDerWaalsContact CB-SG 3.59Å; C258-C268 WeakPolarHBondContact CA-SG 3.16Å; C258-C268 HydrophobicContact CB-CB 3.76Å; C258-C268 WeakPolarHBondContact CB-SG 3.38Å; C258-C268 WeakPolarHBondContact SG-CA 3.26Å; C258-C268 WeakPolarHBondContact SG-CB 3.47Å; C258-C268 PolarHBondContact SG-N 2.81Å; C258-C268 VanDerWaalsContact SG-N 3.42Å; C258-C268 CovalentContact SG-SG 2.04Å; C258-C268 PolarHBondContact SG-SG 3.35Å; Y263-C268 WeakPolarHBondContact CB-O 3.12Å; T264-C268 CarbonylContact O-C 3.52Å; T264-C268 VanDerWaalsContact O-CA 3.3Å; T264-C268 WeakPolarHBondContact O-CA 3.4Å; G265-C268 PolarHBondContact O-N 2.72Å
269	H	82.8	Confident	85.3	Confident	12 Å²	12	44.1 Å²	44.1	6%	0.056	26%	0.257	C	S	.	.			trans	-88.8	-33.5	-176.8	-178	68.9	0	0	0	113	E242 T264 T267 S297 G595 Y596	E242-H269 IonicContact OE1-ND1 3.74Å; E242-H269 IonicContact OE2-CE1 2.99Å; E242-H269 IonicContact OE2-CG 2.77Å; E242-H269 IonicContact OE2-ND1 2.58Å; E242-H269 PolarHBondContact OE2-ND1 3.36Å; T264-H269 PolarHBondContact O-N 3.06Å; T267-H269 PolarHBondContact O-N 2.9Å; H269-S297 WeakPolarHBondContact NE2-CB 3.35Å; H269-S297 WeakPolarHBondContact O-CB 3.42Å; H269-S297 PolarHBondContact O-OG 2.94Å; H269-G595 VanDerWaalsContact NE2-CA 3.33Å; H269-G595 WeakPolarHBondContact NE2-CA 3.39Å; H269-Y596 AromaticContact NE2-CD1 3.67Å; H269-Y596 PolarHBondContact NE2-N 3.39Å
270	D	77.4	Confident	84.3	Confident	37 Å²	37	41.6 Å²	41.6	20%	0.198	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	123.5	-173.1	-64	-37.7	0	0	0	109	Y263 T264 K592	Y263-D270 CarbonylContact C-O 3.19Å; Y263-D270 VanDerWaalsContact CA-O 3.25Å; Y263-D270 WeakPolarHBondContact CA-O 3.41Å; T264-D270 HydrophobicContact CG2-CB 3.91Å; T264-D270 PolarHBondContact N-O 3.14Å; T264-D270 PolarHBondContact O-N 2.92Å; T264-D270 VanDerWaalsContact O-N 3.13Å; D270-K592 IonicContact OD1-NZ 3.62Å; D270-K592 PolarHBondContact OD1-NZ 2.9Å; D270-K592 IonicContact OD2-NZ 3.85Å; D270-K592 PolarHBondContact OD2-NZ 2.81Å
271	S	84.9	Confident	83.6	Confident	16 Å²	16	38.2 Å²	38.2	11%	0.112	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	145.3	175.1	-167.3	0	0	0	0	111.5	Y273 D293	S271-Y273 PolarHBondContact OG-N 3.24Å; S271-Y273 PolarHBondContact OG-O 3.33Å; S271-D293 WeakPolarHBondContact CB-OD2 3.35Å; S271-D293 WeakPolarHBondContact OG-CB 3.23Å; S271-D293 PolarHBondContact OG-OD2 2.91Å
272	I	88.6	Confident	82.4	Confident	95 Å²	95	43.8 Å²	43.8	49%	0.487	24%	0.235	S	C	.	.	S	Bend	trans	-91.1	-7.1	169.8	70.3	173.3	0	0	0	112.8	G262 T264	G262-I272 WeakPolarHBondContact O-CG1 3.42Å; G262-I272 PolarHBondContact O-N 2.9Å; G262-I272 VanDerWaalsContact O-N 3.16Å; T264-I272 HydrophobicContact CG2-CG2 3.83Å
273	Y	86.5	Confident	81.7	Confident	63 Å²	63	50.7 Å²	50.7	25%	0.247	26%	0.258	C	S	.	.	S	Bend	trans	-107.3	153.5	-177.7	-57.8	-68.5	0	0	0	110.7	S271 Y291 P302	S271-Y273 PolarHBondContact OG-N 3.24Å; S271-Y273 PolarHBondContact OG-O 3.33Å; Y273-Y291 VanDerWaalsContact CD1-CB 3.48Å; Y273-Y291 HydrophobicContact CE1-CD2 4.19Å; Y273-Y291 HydrophobicContact CE1-CG 4.13Å; Y273-Y291 HydrophobicContact CE2-CG 4.47Å; Y273-P302 HydrophobicContact CD2-CB 3.47Å; Y273-P302 VanDerWaalsContact CD2-CB 3.47Å; Y273-P302 HydrophobicContact CD2-CG 3.3Å; Y273-P302 HydrophobicContact CE2-CB 3.84Å; Y273-P302 HydrophobicContact CE2-CG 3.63Å; Y273-P302 HydrophobicContact CG-CB 4.26Å; Y273-P302 HydrophobicContact CG-CG 4.42Å
274	E	83.7	Confident	80.8	Confident	44 Å²	44	53.3 Å²	53.3	21%	0.206	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-79.1	153.6	179.8	-52.3	-67.4	175	0	0	110.2	S276 V279 Y280 R283 V292 D293	E274-S276 VanDerWaalsContact C-N 3.27Å; E274-S276 PolarHBondContact O-N 3.47Å; E274-V279 HydrophobicContact CB-CB 4.26Å; E274-V279 HydrophobicContact CB-CG2 4.31Å; E274-V279 HydrophobicContact CG-CB 3.84Å; E274-V279 HydrophobicContact CG-CG1 3.95Å; E274-V279 HydrophobicContact CG-CG2 4.23Å; E274-Y280 HydrophobicContact CB-CE2 4.28Å; E274-Y280 HydrophobicContact CG-CE1 4.32Å; E274-Y280 HydrophobicContact CG-CE2 4.36Å; E274-R283 IonicContact OE1-CZ 3.7Å; E274-R283 IonicContact OE1-NH1 3.04Å; E274-R283 PolarHBondContact OE1-NH1 3.48Å; E274-R283 IonicContact OE1-NH2 3.9Å; E274-R283 PolarHBondContact OE1-NH2 3.45Å; E274-V292 CarbonylContact O-C 3.55Å; E274-V292 VanDerWaalsContact O-CA 3.29Å; E274-V292 WeakPolarHBondContact O-CA 3.32Å; E274-V292 WeakPolarHBondContact O-CG1 3.44Å; E274-D293 PolarHBondContact O-N 2.88Å
275	Q	78.3	Confident	80.1	Confident	90 Å²	90	53 Å²	53	42%	0.421	28%	0.282	S	S	.	.	S	Bend	trans	-74.3	-16.7	-178.5	-59.5	-176.8	-77.3	0	0	113.8	V292 D293 I594	Q275-V292 WeakPolarHBondContact O-CG1 3.42Å; Q275-D293 WeakPolarHBondContact CA-O 3.24Å; Q275-D293 WeakPolarHBondContact CG-O 3.08Å; Q275-I594 HydrophobicContact CG-CD1 4.44Å
276	S	82.4	Confident	79.6	Confident	13 Å²	13	56.8 Å²	56.8	9%	0.091	30%	0.299	C	S	.	.	S	Bend	trans	-150	174.2	176.7	82.5	0	0	0	0	112.3	E274 E278 D459	E274-S276 VanDerWaalsContact C-N 3.27Å; E274-S276 PolarHBondContact O-N 3.47Å; S276-E278 PolarHBondContact O-N 2.94Å; S276-E278 VanDerWaalsContact OG-CB 3.32Å; S276-E278 WeakPolarHBondContact OG-CB 3.44Å; S276-E278 PolarHBondContact OG-N 3.34Å; S276-D459 WeakPolarHBondContact CB-OD1 3.33Å; S276-D459 PolarHBondContact OG-OD1 3.15Å
277	C	87.1	Confident	79.8	Confident	3 Å²	3	55.7 Å²	55.7	2%	0.02	29%	0.29	C	S	.	.	S	Bend	trans	-73.3	-8.1	175.4	-70.7	0	0	0	0	114.6	V279 Y280 R281 C307 I314 M316	C277-V279 PolarHBondContact O-N 3.47Å; C277-Y280 PolarHBondContact O-N 3.34Å; C277-R281 PolarHBondContact O-N 3.33Å; C277-C307 HydrophobicContact CB-CB 3.7Å; C277-C307 WeakPolarHBondContact CB-SG 3.27Å; C277-C307 VanDerWaalsContact SG-CA 3.56Å; C277-C307 WeakPolarHBondContact SG-CB 3.42Å; C277-C307 CovalentContact SG-SG 2.01Å; C277-C307 PolarHBondContact SG-SG 3.09Å; C277-I314 HydrophobicContact CB-CG2 3.49Å; C277-I314 VanDerWaalsContact CB-CG2 3.49Å; C277-M316 HydrophobicContact CB-CG 3.98Å; C277-M316 WeakPolarHBondContact SG-CG 3.47Å
278	E	76.9	Confident	80	Confident	37 Å²	37	55.9 Å²	55.9	17%	0.173	29%	0.294	C	S	.	.	H	α-helix	trans	-60.8	-44.8	-172.4	-170	75.9	-147.7	0	0	112.7	S276 Y280 R281 H282 I314 D459	S276-E278 PolarHBondContact O-N 2.94Å; S276-E278 VanDerWaalsContact OG-CB 3.32Å; S276-E278 WeakPolarHBondContact OG-CB 3.44Å; S276-E278 PolarHBondContact OG-N 3.34Å; E278-Y280 PolarHBondContact O-N 2.94Å; E278-R281 WeakPolarHBondContact O-CB 3.02Å; E278-R281 PolarHBondContact O-N 3.02Å; E278-R281 VanDerWaalsContact O-N 3.09Å; E278-R281 IonicContact OE1-CZ 3.03Å; E278-R281 IonicContact OE1-NE 2.76Å; E278-R281 PolarHBondContact OE1-NE 3.07Å; E278-R281 IonicContact OE1-NH1 2.87Å; E278-R281 IonicContact OE1-NH2 3.44Å; E278-R281 PolarHBondContact OE1-NH2 3.48Å; E278-H282 PolarHBondContact O-CD2 3.24Å; E278-H282 PolarHBondContact O-N 3.01Å; E278-H282 IonicContact OE1-NE2 3.64Å; E278-I314 HydrophobicContact CB-CD1 4.34Å; E278-I314 VanDerWaalsContact CD-CD1 3.41Å; E278-I314 HydrophobicContact CG-CD1 4.32Å; E278-I314 WeakPolarHBondContact OE2-CD1 3.38Å; E278-D459 WeakPolarHBondContact CB-OD2 3.29Å; E278-D459 WeakPolarHBondContact CG-OD2 3.3Å
279	V	71	Confident	80.1	Confident	46 Å²	46	62.5 Å²	62.5	28%	0.279	32%	0.32	S	S	.	.	H	α-helix	trans	-63	-33.1	-179.2	-179	0	0	0	0	111.4	E274 C277 R281 H282 R283	E274-V279 HydrophobicContact CB-CB 4.26Å; E274-V279 HydrophobicContact CB-CG2 4.31Å; E274-V279 HydrophobicContact CG-CB 3.84Å; E274-V279 HydrophobicContact CG-CG1 3.95Å; E274-V279 HydrophobicContact CG-CG2 4.23Å; C277-V279 PolarHBondContact O-N 3.47Å; V279-R281 VanDerWaalsContact C-N 3.32Å; V279-R281 PolarHBondContact O-N 2.76Å; V279-H282 PolarHBondContact O-N 2.84Å; V279-R283 WeakPolarHBondContact O-CG 3.18Å; V279-R283 PolarHBondContact O-N 3.42Å
280	Y	73.2	Confident	80.4	Confident	24 Å²	24	64 Å²	64	9%	0.094	33%	0.326	C	S	.	.	H	α-helix	trans	-69.9	-28.2	178.5	-59.8	-63.3	0	0	0	112.7	E274 C277 E278 R283 N285 F290 Y291 V292	E274-Y280 HydrophobicContact CB-CE2 4.28Å; E274-Y280 HydrophobicContact CG-CE1 4.32Å; E274-Y280 HydrophobicContact CG-CE2 4.36Å; C277-Y280 PolarHBondContact O-N 3.34Å; E278-Y280 PolarHBondContact O-N 2.94Å; Y280-R283 PolarHBondContact O-N 2.94Å; Y280-N285 WeakPolarHBondContact O-CB 3.33Å; Y280-N285 PolarHBondContact O-N 2.81Å; Y280-N285 VanDerWaalsContact O-N 3.12Å; Y280-N285 PolarHBondContact O-ND2 2.76Å; Y280-F290 AromaticContact CD1-CD1 3.78Å; Y280-F290 HydrophobicContact CD1-CD1 3.78Å; Y280-F290 AromaticContact CD1-CE1 3.9Å; Y280-F290 HydrophobicContact CD1-CE1 3.9Å; Y280-F290 HydrophobicContact CD1-CG 4.45Å; Y280-F290 HydrophobicContact CD2-CB 4.08Å; Y280-F290 HydrophobicContact CD2-CD1 4.07Å; Y280-F290 HydrophobicContact CD2-CD2 4.39Å; Y280-F290 AromaticContact CD2-CG 3.92Å; Y280-F290 HydrophobicContact CD2-CG 3.92Å; Y280-F290 AromaticContact CE1-CD1 3.77Å; Y280-F290 HydrophobicContact CE1-CD1 3.77Å; Y280-F290 HydrophobicContact CE1-CE1 4.27Å; Y280-F290 HydrophobicContact CE1-CG 4.48Å; Y280-F290 HydrophobicContact CE2-CB 3.72Å; Y280-F290 HydrophobicContact CE2-CD1 4.09Å; Y280-F290 AromaticContact CE2-CG 3.98Å; Y280-F290 HydrophobicContact CE2-CG 3.98Å; Y280-F290 AromaticContact CG-CD1 3.94Å; Y280-F290 HydrophobicContact CG-CD1 3.94Å; Y280-F290 HydrophobicContact CG-CE1 4.12Å; Y280-F290 HydrophobicContact CG-CG 4.18Å; Y280-F290 AromaticContact CZ-CD1 3.93Å; Y280-Y291 PolarHBondContact OH-O 2.7Å; Y280-V292 HydrophobicContact CE2-CG2 4.35Å
281	R	73.7	Confident	81.1	Confident	102 Å²	102	67 Å²	67	39%	0.385	34%	0.336	S	S	.	.	H	α-helix	trans	-64.6	-47.4	171.2	178.1	-173.2	71.6	164.8	6	111.3	C277 E278 V279 R283 G284 V309 I314	C277-R281 PolarHBondContact O-N 3.33Å; E278-R281 WeakPolarHBondContact O-CB 3.02Å; E278-R281 PolarHBondContact O-N 3.02Å; E278-R281 VanDerWaalsContact O-N 3.09Å; E278-R281 IonicContact OE1-CZ 3.03Å; E278-R281 IonicContact OE1-NE 2.76Å; E278-R281 PolarHBondContact OE1-NE 3.07Å; E278-R281 IonicContact OE1-NH1 2.87Å; E278-R281 IonicContact OE1-NH2 3.44Å; E278-R281 PolarHBondContact OE1-NH2 3.48Å; V279-R281 VanDerWaalsContact C-N 3.32Å; V279-R281 PolarHBondContact O-N 2.76Å; R281-R283 PolarHBondContact O-N 2.85Å; R281-G284 PolarHBondContact O-N 3.06Å; R281-V309 HydrophobicContact CB-CG2 4.14Å; R281-V309 HydrophobicContact CG-CG1 4.09Å; R281-V309 HydrophobicContact CG-CG2 4.3Å; R281-I314 HydrophobicContact CB-CD1 3.73Å; R281-I314 VanDerWaalsContact CD-CD1 3.45Å; R281-I314 HydrophobicContact CG-CD1 4.17Å
282	H	65.9	Low	81.3	Confident	139 Å²	139	66.2 Å²	66.2	64%	0.644	33%	0.331	S	S	*	.	H	α-helix	trans	-62.5	-23.8	178.2	-71.9	-68.6	0	0	0	113.1	E278 V279 G284	E278-H282 PolarHBondContact O-CD2 3.24Å; E278-H282 PolarHBondContact O-N 3.01Å; E278-H282 IonicContact OE1-NE2 3.64Å; V279-H282 PolarHBondContact O-N 2.84Å; H282-G284 VanDerWaalsContact C-N 3.29Å
283	R	74.2	Confident	81.4	Confident	155 Å²	155	61.7 Å²	61.7	59%	0.585	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	2.5	172.9	-65.4	178.7	-176.4	161.8	8.5	113.9	E274 V279 Y280 R281	E274-R283 IonicContact OE1-CZ 3.7Å; E274-R283 IonicContact OE1-NH1 3.04Å; E274-R283 PolarHBondContact OE1-NH1 3.48Å; E274-R283 IonicContact OE1-NH2 3.9Å; E274-R283 PolarHBondContact OE1-NH2 3.45Å; V279-R283 WeakPolarHBondContact O-CG 3.18Å; V279-R283 PolarHBondContact O-N 3.42Å; Y280-R283 PolarHBondContact O-N 2.94Å; R281-R283 PolarHBondContact O-N 2.85Å
284	G	71.8	Confident	81.3	Confident	61 Å²	61	60 Å²	60	63%	0.629	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.2	9.9	175	0	0	0	0	0	115.6	R281 H282	R281-G284 PolarHBondContact O-N 3.06Å; H282-G284 VanDerWaalsContact C-N 3.29Å
285	N	75.7	Confident	80.9	Confident	67 Å²	67	59.8 Å²	59.8	36%	0.358	31%	0.305	S	S	.	.			trans	-83.3	131.5	175.7	-58.2	-66.9	0	0	0	110.6	Y280 F290	Y280-N285 WeakPolarHBondContact O-CB 3.33Å; Y280-N285 PolarHBondContact O-N 2.81Å; Y280-N285 VanDerWaalsContact O-N 3.12Å; Y280-N285 PolarHBondContact O-ND2 2.76Å; N285-F290 HydrophobicContact CB-CZ 3.99Å
286	T	75.5	Confident	80.9	Confident	111 Å²	111	55.5 Å²	55.5	68%	0.681	29%	0.285	S	S	*	.			trans	-96.1	-34.3	179.8	54.8	0	0	0	0	113	V309	T286-V309 VanDerWaalsContact O-CB 3.23Å; T286-V309 WeakPolarHBondContact O-CB 3.04Å; T286-V309 WeakPolarHBondContact O-CG2 3.24Å; T286-V309 PolarHBondContact O-N 2.99Å
287	A	88.9	Confident	80.4	Confident	41 Å²	41	55.4 Å²	55.4	34%	0.339	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	155.2	171.9	0	0	0	0	0	111.4	C307	A287-C307 CarbonylContact C-O 3.52Å; A287-C307 WeakPolarHBondContact CA-O 3.03Å
288	G	90.6	Very high	79.7	Confident	17 Å²	17	55.9 Å²	55.9	18%	0.175	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.1	173.3	175.6	0	0	0	0	0	113.7	F290 Y306 C307	G288-F290 VanDerWaalsContact O-CD2 3.32Å; G288-F290 WeakPolarHBondContact O-CD2 3.24Å; G288-Y306 CarbonylContact O-C 3.5Å; G288-C307 PolarHBondContact N-O 3.37Å; G288-C307 PolarHBondContact O-N 2.83Å
289	Y	92	Very high	79.6	Confident	140 Å²	140	59.5 Å²	59.5	55%	0.549	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	126.1	171.8	-73.6	-83.2	0	0	0	110.5	Q304 V305 Y306	Y289-Q304 HydrophobicContact CD1-CG 4.41Å; Y289-V305 WeakPolarHBondContact CA-O 3.4Å; Y289-Y306 HydrophobicContact CD1-CD2 4.07Å; Y289-Y306 AromaticContact CD2-CD2 3.74Å; Y289-Y306 HydrophobicContact CD2-CD2 3.74Å; Y289-Y306 HydrophobicContact CD2-CE2 4.25Å; Y289-Y306 AromaticContact CE1-CD2 3.95Å; Y289-Y306 HydrophobicContact CE1-CD2 3.95Å; Y289-Y306 HydrophobicContact CE1-CG 4.32Å; Y289-Y306 AromaticContact CE2-CD2 3.58Å; Y289-Y306 HydrophobicContact CE2-CD2 3.58Å; Y289-Y306 HydrophobicContact CE2-CE2 4.06Å; Y289-Y306 AromaticContact CG-CD2 3.98Å; Y289-Y306 HydrophobicContact CG-CD2 3.98Å; Y289-Y306 AromaticContact CZ-CD2 3.69Å
290	F	91	Very high	80.1	Confident	42 Å²	42	59 Å²	59	18%	0.184	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	154.3	178	-62.8	-87.2	0	0	0	110	Y280 N285 G288 Q304 V305 C307	Y280-F290 AromaticContact CD1-CD1 3.78Å; Y280-F290 HydrophobicContact CD1-CD1 3.78Å; Y280-F290 AromaticContact CD1-CE1 3.9Å; Y280-F290 HydrophobicContact CD1-CE1 3.9Å; Y280-F290 HydrophobicContact CD1-CG 4.45Å; Y280-F290 HydrophobicContact CD2-CB 4.08Å; Y280-F290 HydrophobicContact CD2-CD1 4.07Å; Y280-F290 HydrophobicContact CD2-CD2 4.39Å; Y280-F290 AromaticContact CD2-CG 3.92Å; Y280-F290 HydrophobicContact CD2-CG 3.92Å; Y280-F290 AromaticContact CE1-CD1 3.77Å; Y280-F290 HydrophobicContact CE1-CD1 3.77Å; Y280-F290 HydrophobicContact CE1-CE1 4.27Å; Y280-F290 HydrophobicContact CE1-CG 4.48Å; Y280-F290 HydrophobicContact CE2-CB 3.72Å; Y280-F290 HydrophobicContact CE2-CD1 4.09Å; Y280-F290 AromaticContact CE2-CG 3.98Å; Y280-F290 HydrophobicContact CE2-CG 3.98Å; Y280-F290 AromaticContact CG-CD1 3.94Å; Y280-F290 HydrophobicContact CG-CD1 3.94Å; Y280-F290 HydrophobicContact CG-CE1 4.12Å; Y280-F290 HydrophobicContact CG-CG 4.18Å; Y280-F290 AromaticContact CZ-CD1 3.93Å; N285-F290 HydrophobicContact CB-CZ 3.99Å; G288-F290 VanDerWaalsContact O-CD2 3.32Å; G288-F290 WeakPolarHBondContact O-CD2 3.24Å; F290-Q304 WeakPolarHBondContact O-CA 3.32Å; F290-V305 PolarHBondContact N-O 2.76Å; F290-V305 PolarHBondContact O-N 2.89Å; F290-V305 VanDerWaalsContact O-O 3.12Å; F290-C307 HydrophobicContact CD2-CB 3.77Å; F290-C307 WeakPolarHBondContact CD2-SG 3.43Å; F290-C307 HydrophobicContact CE2-CB 4.15Å
291	Y	91.8	Very high	80.7	Confident	100 Å²	100	65.3 Å²	65.3	39%	0.392	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	135.1	164.7	-73.8	-85.3	0	0	0	108.6	Y273 Y280 P302 L303 Q304	Y273-Y291 VanDerWaalsContact CD1-CB 3.48Å; Y273-Y291 HydrophobicContact CE1-CD2 4.19Å; Y273-Y291 HydrophobicContact CE1-CG 4.13Å; Y273-Y291 HydrophobicContact CE2-CG 4.47Å; Y280-Y291 PolarHBondContact OH-O 2.7Å; Y291-P302 HydrophobicContact CD1-CB 4.29Å; Y291-L303 WeakPolarHBondContact CA-O 3.44Å; Y291-Q304 HydrophobicContact CD1-CB 4Å; Y291-Q304 HydrophobicContact CE1-CB 3.72Å; Y291-Q304 HydrophobicContact CE1-CG 4.34Å
292	V	89.6	Confident	81.5	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.006	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	136.5	179.4	169.4	0	0	0	0	107.9	E274 Q275 Y280 P302 L303 V305	E274-V292 CarbonylContact O-C 3.55Å; E274-V292 VanDerWaalsContact O-CA 3.29Å; E274-V292 WeakPolarHBondContact O-CA 3.32Å; E274-V292 WeakPolarHBondContact O-CG1 3.44Å; Q275-V292 WeakPolarHBondContact O-CG1 3.42Å; Y280-V292 HydrophobicContact CE2-CG2 4.35Å; V292-P302 CarbonylContact O-C 3.58Å; V292-P302 WeakPolarHBondContact O-CA 3.02Å; V292-L303 PolarHBondContact N-O 2.04Å; V292-L303 PolarHBondContact O-N 3.3Å; V292-V305 HydrophobicContact CB-CG2 4.04Å; V292-V305 HydrophobicContact CG2-CG2 3.52Å
293	D	89.5	Confident	82.7	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.295	C	S	.	.			trans	-118.8	84.1	-177.6	-165	10.5	0	0	0	110.6	Y263 S271 E274 Q275 D295 G296 P302	Y263-D293 VanDerWaalsContact CE1-OD2 3.25Å; Y263-D293 WeakPolarHBondContact CE1-OD2 3.41Å; Y263-D293 VanDerWaalsContact CZ-OD2 3.26Å; Y263-D293 PolarHBondContact OH-OD1 2.78Å; Y263-D293 PolarHBondContact OH-OD2 3.17Å; S271-D293 WeakPolarHBondContact CB-OD2 3.35Å; S271-D293 WeakPolarHBondContact OG-CB 3.23Å; S271-D293 PolarHBondContact OG-OD2 2.91Å; E274-D293 PolarHBondContact O-N 2.88Å; Q275-D293 WeakPolarHBondContact CA-O 3.24Å; Q275-D293 WeakPolarHBondContact CG-O 3.08Å; D293-D295 VanDerWaalsContact C-N 3.26Å; D293-D295 PolarHBondContact O-N 2.79Å; D293-D295 VanDerWaalsContact OD1-OD1 3.05Å; D293-G296 PolarHBondContact O-N 2.02Å; D293-P302 HydrophobicContact CB-CB 4.27Å; D293-P302 HydrophobicContact CB-CG 4.3Å
294	S	84.8	Confident	83.6	Confident	27 Å²	27	52.5 Å²	52.5	19%	0.189	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-24.4	-165.7	-59.8	0	0	0	0	114.3
295	D	74.7	Confident	84.7	Confident	39 Å²	39	49.7 Å²	49.7	21%	0.209	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-2	173.9	68.3	-36.7	0	0	0	113.6	D293 S297 G298 P299 L300	D293-D295 VanDerWaalsContact C-N 3.26Å; D293-D295 PolarHBondContact O-N 2.79Å; D293-D295 VanDerWaalsContact OD1-OD1 3.05Å; D295-S297 PolarHBondContact O-N 3.41Å; D295-S297 VanDerWaalsContact O-N 3.07Å; D295-G298 PolarHBondContact O-N 3.15Å; D295-G298 WeakPolarHBondContact OD2-CA 3.47Å; D295-P299 WeakPolarHBondContact OD2-CD 3.27Å; D295-L300 HydrophobicContact CB-CD1 4.33Å; D295-L300 WeakPolarHBondContact OD1-CB 3.13Å; D295-L300 WeakPolarHBondContact OD2-CB 3.15Å; D295-L300 WeakPolarHBondContact OD2-CG 3.45Å; D295-L300 PolarHBondContact OD2-N 2.98Å
296	G	79.2	Confident	85.6	Confident	1 Å²	1	50 Å²	50	1%	0.01	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	-106.8	176.1	0	0	0	0	0	112.7	Y263 D293 G298	Y263-G296 WeakPolarHBondContact CE1-O 3.45Å; D293-G296 PolarHBondContact O-N 2.02Å; G296-G298 PolarHBondContact O-N 3.3Å
297	S	71.1	Confident	86.4	Confident	10 Å²	10	44.9 Å²	44.9	7%	0.07	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	11.2	177.3	-76.1	0	0	0	0	113.2	H269 D295 I594	H269-S297 WeakPolarHBondContact NE2-CB 3.35Å; H269-S297 WeakPolarHBondContact O-CB 3.42Å; H269-S297 PolarHBondContact O-OG 2.94Å; D295-S297 PolarHBondContact O-N 3.41Å; D295-S297 VanDerWaalsContact O-N 3.07Å; S297-I594 VanDerWaalsContact OG-CG2 3.23Å; S297-I594 WeakPolarHBondContact OG-CG2 3.28Å
298	G	72.4	Confident	86.4	Confident	14 Å²	14	45.7 Å²	45.7	14%	0.144	22%	0.224	C	C	.	.	S	Bend	trans	-67	174	169	0	0	0	0	0	111.9	H243 D295 G296 L300	H243-G298 PolarHBondContact NE2-O 3.27Å; D295-G298 PolarHBondContact O-N 3.15Å; D295-G298 WeakPolarHBondContact OD2-CA 3.47Å; G296-G298 PolarHBondContact O-N 3.3Å; G298-L300 PolarHBondContact O-N 2.86Å
299	P	74.3	Confident	86	Confident	112 Å²	112	46.8 Å²	46.8	73%	0.727	23%	0.227	S	C	*	.	S	Bend	trans	-76.3	-5.6	-169.7	33.4	-37.6	0	0	0	114.6	D295	D295-P299 WeakPolarHBondContact OD2-CD 3.27Å
300	L	82.5	Confident	85.5	Confident	35 Å²	35	42.6 Å²	42.6	18%	0.183	22%	0.216	C	C	.	.	S	Bend	trans	-78.7	-179.4	-174.9	-51.8	177.5	0	0	0	110.3	H243 Y263 D295 G298 E348 Q349 A352	H243-L300 PolarHBondContact CD2-O 3.4Å; Y263-L300 PolarHBondContact OH-O 3.33Å; D295-L300 HydrophobicContact CB-CD1 4.33Å; D295-L300 WeakPolarHBondContact OD1-CB 3.13Å; D295-L300 WeakPolarHBondContact OD2-CB 3.15Å; D295-L300 WeakPolarHBondContact OD2-CG 3.45Å; D295-L300 PolarHBondContact OD2-N 2.98Å; G298-L300 PolarHBondContact O-N 2.86Å; L300-E348 HydrophobicContact CD1-CB 4.19Å; L300-E348 WeakPolarHBondContact CD1-O 3.41Å; L300-E348 HydrophobicContact CD2-CB 3.54Å; L300-E348 HydrophobicContact CD2-CG 4.45Å; L300-Q349 HydrophobicContact CB-CG 4.28Å; L300-A352 HydrophobicContact CD1-CB 3.72Å
301	R	85.8	Confident	84.5	Confident	158 Å²	158	50.7 Å²	50.7	60%	0.596	26%	0.255	S	S	*	.			trans	-110.9	163.8	174	-73.6	-176.2	178	-179.2	-1	108.8	Q349	R301-Q349 PolarHBondContact O-NE2 2.67Å
302	P	90.4	Very high	83.6	Confident	19 Å²	19	51.5 Å²	51.5	12%	0.123	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-65.1	139.5	173.4	-20.4	33.9	0	0	0	111.2	Y263 Y273 Y291 V292 D293 Q349	Y263-P302 HydrophobicContact CE2-CG 4.25Å; Y263-P302 WeakPolarHBondContact OH-CD 3.21Å; Y273-P302 HydrophobicContact CD2-CB 3.47Å; Y273-P302 VanDerWaalsContact CD2-CB 3.47Å; Y273-P302 HydrophobicContact CD2-CG 3.3Å; Y273-P302 HydrophobicContact CE2-CB 3.84Å; Y273-P302 HydrophobicContact CE2-CG 3.63Å; Y273-P302 HydrophobicContact CG-CB 4.26Å; Y273-P302 HydrophobicContact CG-CG 4.42Å; Y291-P302 HydrophobicContact CD1-CB 4.29Å; V292-P302 CarbonylContact O-C 3.58Å; V292-P302 WeakPolarHBondContact O-CA 3.02Å; D293-P302 HydrophobicContact CB-CB 4.27Å; D293-P302 HydrophobicContact CB-CG 4.3Å; P302-Q349 PolarHBondContact O-NE2 3.3Å
303	L	91.9	Very high	83.2	Confident	9 Å²	9	54.3 Å²	54.3	5%	0.047	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	135.9	177	-178.2	63.9	0	0	0	109.9	Y291 V292 V305 V318 Q349 L350 L353	Y291-L303 WeakPolarHBondContact CA-O 3.44Å; V292-L303 PolarHBondContact N-O 2.04Å; V292-L303 PolarHBondContact O-N 3.3Å; L303-V305 HydrophobicContact CD2-CG1 4.24Å; L303-V305 HydrophobicContact CG-CG1 4.14Å; L303-V318 HydrophobicContact CD2-CG2 4.26Å; L303-Q349 HydrophobicContact CD2-CB 4.48Å; L303-L350 HydrophobicContact CD2-CD2 3.91Å; L303-L353 HydrophobicContact CD2-CD1 4Å
304	Q	92.9	Very high	83.1	Confident	99 Å²	99	54.7 Å²	54.7	46%	0.463	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	125.2	173	-167.9	176.9	39.5	0	0	110.1	Y289 F290 Y291	Y289-Q304 HydrophobicContact CD1-CG 4.41Å; F290-Q304 WeakPolarHBondContact O-CA 3.32Å; Y291-Q304 HydrophobicContact CD1-CB 4Å; Y291-Q304 HydrophobicContact CE1-CB 3.72Å; Y291-Q304 HydrophobicContact CE1-CG 4.34Å
305	V	94.4	Very high	83.4	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	152	-179.9	-52.3	0	0	0	0	110.3	Y289 F290 V292 L303 M316 V318 L353	Y289-V305 WeakPolarHBondContact CA-O 3.4Å; F290-V305 PolarHBondContact N-O 2.76Å; F290-V305 PolarHBondContact O-N 2.89Å; F290-V305 VanDerWaalsContact O-O 3.12Å; V292-V305 HydrophobicContact CB-CG2 4.04Å; V292-V305 HydrophobicContact CG2-CG2 3.52Å; L303-V305 HydrophobicContact CD2-CG1 4.24Å; L303-V305 HydrophobicContact CG-CG1 4.14Å; V305-M316 HydrophobicContact CG2-CG 4.32Å; V305-V318 HydrophobicContact CG1-CG2 4.04Å; V305-L353 HydrophobicContact CG1-CD1 3.66Å
306	Y	94.1	Very high	84.3	Confident	74 Å²	74	52.6 Å²	52.6	29%	0.29	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	110.4	168.8	-174.7	-97.8	0	0	0	109.3	G288 Y289 N308 W315 T317	G288-Y306 CarbonylContact O-C 3.5Å; Y289-Y306 HydrophobicContact CD1-CD2 4.07Å; Y289-Y306 AromaticContact CD2-CD2 3.74Å; Y289-Y306 HydrophobicContact CD2-CD2 3.74Å; Y289-Y306 HydrophobicContact CD2-CE2 4.25Å; Y289-Y306 AromaticContact CE1-CD2 3.95Å; Y289-Y306 HydrophobicContact CE1-CD2 3.95Å; Y289-Y306 HydrophobicContact CE1-CG 4.32Å; Y289-Y306 AromaticContact CE2-CD2 3.58Å; Y289-Y306 HydrophobicContact CE2-CD2 3.58Å; Y289-Y306 HydrophobicContact CE2-CE2 4.06Å; Y289-Y306 AromaticContact CG-CD2 3.98Å; Y289-Y306 HydrophobicContact CG-CD2 3.98Å; Y289-Y306 AromaticContact CZ-CD2 3.69Å; Y306-N308 HydrophobicContact CD1-CB 4.19Å; Y306-N308 HydrophobicContact CE1-CB 3.89Å; Y306-W315 VanDerWaalsContact O-O 3.14Å; Y306-T317 PolarHBondContact N-O 3.16Å; Y306-T317 PolarHBondContact O-N 2.99Å
307	C	92.1	Very high	85.1	Confident	4 Å²	4	53.1 Å²	53.1	3%	0.027	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	129.5	173.4	-57.9	0	0	0	0	109.4	C277 A287 G288 F290 W315	C277-C307 HydrophobicContact CB-CB 3.7Å; C277-C307 WeakPolarHBondContact CB-SG 3.27Å; C277-C307 VanDerWaalsContact SG-CA 3.56Å; C277-C307 WeakPolarHBondContact SG-CB 3.42Å; C277-C307 CovalentContact SG-SG 2.01Å; C277-C307 PolarHBondContact SG-SG 3.09Å; A287-C307 CarbonylContact C-O 3.52Å; A287-C307 WeakPolarHBondContact CA-O 3.03Å; G288-C307 PolarHBondContact N-O 3.37Å; G288-C307 PolarHBondContact O-N 2.83Å; F290-C307 HydrophobicContact CD2-CB 3.77Å; F290-C307 WeakPolarHBondContact CD2-SG 3.43Å; F290-C307 HydrophobicContact CE2-CB 4.15Å; C307-W315 CarbonylContact C-O 3.52Å; C307-W315 VanDerWaalsContact CA-O 3.29Å; C307-W315 WeakPolarHBondContact CA-O 3.26Å
308	N	90.1	Very high	86.3	Confident	57 Å²	57	52.8 Å²	52.8	31%	0.305	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	112.6	174.2	-171.2	13.4	0	0	0	110.2	Y306 W315	Y306-N308 HydrophobicContact CD1-CB 4.19Å; Y306-N308 HydrophobicContact CE1-CB 3.89Å; N308-W315 HydrophobicContact CB-CB 4.35Å; N308-W315 PolarHBondContact N-O 3.46Å; N308-W315 PolarHBondContact O-N 2.71Å
309	V	82.2	Confident	87.3	Confident	40 Å²	40	56.2 Å²	56.2	24%	0.242	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	115.9	-179.8	-175.5	0	0	0	0	109.1	R281 T286 I314	R281-V309 HydrophobicContact CB-CG2 4.14Å; R281-V309 HydrophobicContact CG-CG1 4.09Å; R281-V309 HydrophobicContact CG-CG2 4.3Å; T286-V309 VanDerWaalsContact O-CB 3.23Å; T286-V309 WeakPolarHBondContact O-CB 3.04Å; T286-V309 WeakPolarHBondContact O-CG2 3.24Å; T286-V309 PolarHBondContact O-N 2.99Å; V309-I314 HydrophobicContact CG1-CG1 4.38Å; V309-I314 HydrophobicContact CG2-CG1 4.41Å; V309-I314 HydrophobicContact CG2-CG2 4.19Å
310	T	81.1	Confident	88.2	Confident	53 Å²	53	51.5 Å²	51.5	33%	0.325	25%	0.246	S	C	.	.			trans	-96.4	174.4	166.7	62.1	0	0	0	0	110.2	D312 K313	T310-D312 PolarHBondContact O-N 2.97Å; T310-D312 VanDerWaalsContact O-N 3.15Å; T310-D312 PolarHBondContact OG1-OD1 3.49Å; T310-K313 PolarHBondContact N-O 2.91Å; T310-K313 PolarHBondContact OG1-N 3.04Å; T310-K313 PolarHBondContact OG1-O 2.93Å; T310-K313 VanDerWaalsContact OG1-O 3.07Å
311	E	69.5	Low	88.7	Confident	212 Å²	212	54.5 Å²	54.5	99%	0.991	26%	0.263	S	S	*	.	S	Bend	trans	-58	-27.5	-179.5	-72.4	-175.8	166.7	0	0	113.1
312	D	73.2	Confident	88.9	Confident	116 Å²	116	48.4 Å²	48.4	62%	0.62	24%	0.242	S	C	*	.	S	Bend	trans	-117.3	-22.1	-172.8	63.7	-33.3	0	0	0	114.7	T310	T310-D312 PolarHBondContact O-N 2.97Å; T310-D312 VanDerWaalsContact O-N 3.15Å; T310-D312 PolarHBondContact OG1-OD1 3.49Å
313	K	81.6	Confident	88.6	Confident	60 Å²	60	49.9 Å²	49.9	26%	0.261	25%	0.251	S	S	.	.			trans	-143.6	152.4	-167.5	-66.7	170.8	-174	-171.2	0	112.6	T310 W315 Y457	T310-K313 PolarHBondContact N-O 2.91Å; T310-K313 PolarHBondContact OG1-N 3.04Å; T310-K313 PolarHBondContact OG1-O 2.93Å; T310-K313 VanDerWaalsContact OG1-O 3.07Å; K313-W315 HydrophobicContact CD-CZ2 3.96Å; K313-Y457 HydrophobicContact CB-CD2 4.06Å; K313-Y457 HydrophobicContact CB-CG 4.16Å; K313-Y457 HydrophobicContact CD-CD1 4.04Å; K313-Y457 HydrophobicContact CD-CD2 3.84Å; K313-Y457 HydrophobicContact CD-CE1 3.71Å; K313-Y457 HydrophobicContact CD-CE2 3.6Å; K313-Y457 HydrophobicContact CD-CG 4.08Å; K313-Y457 VanDerWaalsContact CE-CZ 3.45Å; K313-Y457 WeakPolarHBondContact CE-OH 3.24Å; K313-Y457 HydrophobicContact CG-CD2 3.72Å; K313-Y457 HydrophobicContact CG-CE2 3.79Å; K313-Y457 HydrophobicContact CG-CG 4.19Å; K313-Y457 VanDerWaalsContact NZ-CZ 3.33Å; K313-Y457 PolarHBondContact NZ-OH 2.94Å
314	I	86.5	Confident	88.5	Confident	9 Å²	9	56.7 Å²	56.7	5%	0.046	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	104.7	173.2	-52.1	-179.2	0	0	0	109.1	C277 E278 R281 V309 Y457	C277-I314 HydrophobicContact CB-CG2 3.49Å; C277-I314 VanDerWaalsContact CB-CG2 3.49Å; E278-I314 HydrophobicContact CB-CD1 4.34Å; E278-I314 VanDerWaalsContact CD-CD1 3.41Å; E278-I314 HydrophobicContact CG-CD1 4.32Å; E278-I314 WeakPolarHBondContact OE2-CD1 3.38Å; R281-I314 HydrophobicContact CB-CD1 3.73Å; R281-I314 VanDerWaalsContact CD-CD1 3.45Å; R281-I314 HydrophobicContact CG-CD1 4.17Å; V309-I314 HydrophobicContact CG1-CG1 4.38Å; V309-I314 HydrophobicContact CG2-CG1 4.41Å; V309-I314 HydrophobicContact CG2-CG2 4.19Å; I314-Y457 WeakPolarHBondContact O-CA 3.48Å; I314-Y457 WeakPolarHBondContact O-CB 3.43Å
315	W	91.9	Very high	88.5	Confident	15 Å²	15	55.2 Å²	55.2	6%	0.057	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	122.5	-176.7	-68.1	94.4	0	0	0	111.5	Y306 C307 N308 K313 E361 R455 C456 Y457	Y306-W315 VanDerWaalsContact O-O 3.14Å; C307-W315 CarbonylContact C-O 3.52Å; C307-W315 VanDerWaalsContact CA-O 3.29Å; C307-W315 WeakPolarHBondContact CA-O 3.26Å; N308-W315 HydrophobicContact CB-CB 4.35Å; N308-W315 PolarHBondContact N-O 3.46Å; N308-W315 PolarHBondContact O-N 2.71Å; K313-W315 HydrophobicContact CD-CZ2 3.96Å; W315-E361 HydrophobicContact CH2-CG 4.09Å; W315-E361 VanDerWaalsContact CH2-OE1 3.28Å; W315-E361 WeakPolarHBondContact CH2-OE1 3.18Å; W315-E361 HydrophobicContact CZ3-CG 3.97Å; W315-R455 VanDerWaalsContact CD2-NH2 3.3Å; W315-R455 VanDerWaalsContact CE2-NH2 3.27Å; W315-R455 HydrophobicContact CE3-CB 3.61Å; W315-R455 HydrophobicContact CZ3-CB 3.61Å; W315-C456 CarbonylContact C-O 3.22Å; W315-C456 WeakPolarHBondContact CA-O 3.42Å; W315-Y457 AromaticContact CD2-CD1 3.94Å; W315-Y457 HydrophobicContact CD2-CD1 3.94Å; W315-Y457 HydrophobicContact CD2-CG 4.38Å; W315-Y457 AromaticContact CE2-CD1 3.81Å; W315-Y457 AromaticContact CE3-CD1 3.63Å; W315-Y457 HydrophobicContact CE3-CD1 3.63Å; W315-Y457 HydrophobicContact CE3-CG 4.3Å; W315-Y457 AromaticContact CH2-CD1 3.22Å; W315-Y457 HydrophobicContact CH2-CD1 3.22Å; W315-Y457 AromaticContact CH2-CE1 3.35Å; W315-Y457 HydrophobicContact CH2-CE1 3.35Å; W315-Y457 HydrophobicContact CH2-CG 4.42Å; W315-Y457 AromaticContact CZ2-CD1 3.47Å; W315-Y457 HydrophobicContact CZ2-CD1 3.47Å; W315-Y457 VanDerWaalsContact CZ2-CD1 3.47Å; W315-Y457 AromaticContact CZ2-CE1 3.61Å; W315-Y457 HydrophobicContact CZ2-CE1 3.61Å; W315-Y457 HydrophobicContact CZ2-CG 4.4Å; W315-Y457 AromaticContact CZ3-CD1 3.31Å; W315-Y457 HydrophobicContact CZ3-CD1 3.31Å; W315-Y457 AromaticContact CZ3-CE1 3.9Å; W315-Y457 HydrophobicContact CZ3-CE1 3.9Å; W315-Y457 HydrophobicContact CZ3-CG 4.37Å
316	M	93.6	Very high	88.4	Confident	6 Å²	6	56.6 Å²	56.6	3%	0.03	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	110.9	160.1	-71.3	170.6	-68.8	0	0	108.6	C277 V305 L353 S357 R455 C456	C277-M316 HydrophobicContact CB-CG 3.98Å; C277-M316 WeakPolarHBondContact SG-CG 3.47Å; V305-M316 HydrophobicContact CG2-CG 4.32Å; M316-L353 HydrophobicContact CB-CD1 4.49Å; M316-S357 WeakPolarHBondContact CE-OG 3.02Å; M316-R455 WeakPolarHBondContact O-CA 3.19Å; M316-C456 PolarHBondContact N-O 2.88Å; M316-C456 PolarHBondContact O-N 2.92Å
317	T	95.3	Very high	88.2	Confident	12 Å²	12	59.9 Å²	59.9	7%	0.074	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.4	-178.3	-55.4	0	0	0	0	110.8	Y306 P453 L454 R455	Y306-T317 PolarHBondContact N-O 3.16Å; Y306-T317 PolarHBondContact O-N 2.99Å; T317-P453 HydrophobicContact CG2-CB 3.56Å; T317-P453 HydrophobicContact CG2-CG 3.62Å; T317-L454 CarbonylContact C-O 3.58Å; T317-L454 WeakPolarHBondContact CA-O 3.4Å; T317-R455 HydrophobicContact CG2-CG 4Å
318	V	95.8	Very high	88.1	Confident	4 Å²	4	60 Å²	60	2%	0.024	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	116.2	175.9	-165.8	0	0	0	0	109.4	L303 V305 Y343 L350 L353 P453 L454	L303-V318 HydrophobicContact CD2-CG2 4.26Å; V305-V318 HydrophobicContact CG1-CG2 4.04Å; V318-Y343 HydrophobicContact CB-CD1 4.46Å; V318-Y343 HydrophobicContact CG1-CD1 4.18Å; V318-L350 HydrophobicContact CG1-CD2 3.96Å; V318-L350 HydrophobicContact CG2-CD2 4.48Å; V318-L353 HydrophobicContact CG2-CD1 4.16Å; V318-P453 WeakPolarHBondContact O-CA 3.28Å; V318-P453 VanDerWaalsContact O-CB 3.29Å; V318-P453 WeakPolarHBondContact O-CB 3.49Å; V318-L454 HydrophobicContact CB-CB 4.3Å; V318-L454 HydrophobicContact CG2-CD2 4.46Å; V318-L454 PolarHBondContact N-O 2.94Å; V318-L454 PolarHBondContact O-N 2.88Å
319	Q	93.9	Very high	87.8	Confident	85 Å²	85	63.8 Å²	63.8	40%	0.397	31%	0.314	S	S	.	.			trans	-81.7	150.5	179.8	-66.8	-71.1	-12.1	0	0	110.9	Y343	Q319-Y343 WeakPolarHBondContact O-CA 3.34Å
320	H	94.1	Very high	87.9	Confident	14 Å²	14	64.1 Å²	64.1	7%	0.065	33%	0.325	C	S	.	.			trans	-117.3	169.9	169.1	56.5	90	0	0	0	111.8	N322 L341 N342 Y343 I451 G452	H320-N322 PolarHBondContact CE1-O 3.37Å; H320-N322 PolarHBondContact ND1-O 2.84Å; H320-N322 PolarHBondContact O-N 2.91Å; H320-N322 VanDerWaalsContact O-N 3.1Å; H320-L341 HydrophobicContact CB-CB 4.35Å; H320-N342 CarbonylContact C-O 3.59Å; H320-N342 WeakPolarHBondContact CA-O 3.4Å; H320-N342 WeakPolarHBondContact CB-O 3.03Å; H320-Y343 HydrophobicContact CB-CD1 3.78Å; H320-Y343 HydrophobicContact CB-CD2 4.23Å; H320-Y343 HydrophobicContact CB-CE1 3.82Å; H320-Y343 HydrophobicContact CB-CE2 4.24Å; H320-Y343 HydrophobicContact CB-CG 3.99Å; H320-Y343 AromaticContact CD2-CE1 3.54Å; H320-Y343 AromaticContact CD2-CZ 3.86Å; H320-I451 PolarHBondContact CE1-O 2.83Å; H320-I451 VanDerWaalsContact CE1-O 3.26Å; H320-I451 PolarHBondContact NE2-O 2.91Å; H320-G452 PolarHBondContact NE2-O 2.93Å
321	N	92.9	Very high	88.2	Confident	98 Å²	98	61.9 Å²	61.9	52%	0.524	31%	0.311	S	S	.	.	S	Bend	trans	-65.2	-6.2	-173.7	66.6	-30.4	0	0	0	117.1	L341 N342	N321-L341 WeakPolarHBondContact OD1-CA 3.43Å; N321-N342 HydrophobicContact CB-CB 4.47Å; N321-N342 PolarHBondContact N-O 2.86Å; N321-N342 PolarHBondContact OD1-N 3.47Å
322	N	89.5	Confident	89	Confident	30 Å²	30	54.1 Å²	54.1	16%	0.16	28%	0.277	C	S	.	.			trans	-151.4	99.2	-179.1	-177.1	1.9	0	0	0	112.1	H320 E324 T326 M339 L341 W449	H320-N322 PolarHBondContact CE1-O 3.37Å; H320-N322 PolarHBondContact ND1-O 2.84Å; H320-N322 PolarHBondContact O-N 2.91Å; H320-N322 VanDerWaalsContact O-N 3.1Å; N322-E324 PolarHBondContact OD1-N 2.86Å; N322-T326 PolarHBondContact ND2-OG1 3.5Å; N322-M339 HydrophobicContact CB-CE 3.75Å; N322-L341 HydrophobicContact CB-CD2 4.43Å; N322-W449 WeakPolarHBondContact ND2-CH2 3.4Å
323	T	84.8	Confident	89.5	Confident	50 Å²	50	53.4 Å²	53.4	31%	0.307	28%	0.276	S	S	.	.			trans	-108.3	3.8	179.8	53.8	0	0	0	0	113.3	R450	T323-R450 PolarHBondContact O-NE 3.11Å
324	E	89.8	Confident	89.7	Confident	152 Å²	152	59.3 Å²	59.3	71%	0.71	31%	0.305	S	S	*	.	S	Bend	trans	-87.5	156.6	-179.4	-64	-163.5	166.3	0	0	111.8	N322 T326	N322-E324 PolarHBondContact OD1-N 2.86Å; E324-T326 PolarHBondContact O-N 2.86Å; E324-T326 PolarHBondContact O-OG1 3.3Å
325	L	91.8	Very high	89.9	Confident	68 Å²	68	66.8 Å²	66.8	36%	0.356	34%	0.337	S	S	.	.			trans	-70.2	116.7	174.4	-179	66.1	0	0	0	109.8	W327 Y367 A448 R450	L325-W327 HydrophobicContact CD2-CZ2 4.46Å; L325-Y367 HydrophobicContact CD1-CD2 3.63Å; L325-Y367 HydrophobicContact CD1-CE2 3.54Å; L325-Y367 HydrophobicContact CD2-CE2 4.14Å; L325-A448 HydrophobicContact CD1-CB 3.93Å; L325-A448 HydrophobicContact CG-CB 4.28Å; L325-R450 HydrophobicContact CD1-CB 4.12Å
326	T	92.2	Very high	89.8	Confident	29 Å²	29	68.4 Å²	68.4	18%	0.178	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	119.5	-175.8	-57.5	0	0	0	0	111.2	N322 E324 A448 W449	N322-T326 PolarHBondContact ND2-OG1 3.5Å; E324-T326 PolarHBondContact O-N 2.86Å; E324-T326 PolarHBondContact O-OG1 3.3Å; T326-A448 CarbonylContact O-C 3.07Å; T326-A448 WeakPolarHBondContact O-CA 3.04Å; T326-A448 WeakPolarHBondContact O-CB 3.3Å; T326-W449 HydrophobicContact CG2-CZ2 4.26Å; T326-W449 PolarHBondContact N-O 2.83Å; T326-W449 PolarHBondContact O-N 3.47Å
327	W	90.1	Very high	89.8	Confident	143 Å²	143	71.1 Å²	71.1	54%	0.542	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	140	177.1	-71.5	88.6	0	0	0	112.4	L325 M417 A448	L325-W327 HydrophobicContact CD2-CZ2 4.46Å; W327-M417 HydrophobicContact CH2-CE 3.75Å; W327-M417 HydrophobicContact CH2-SD 4.41Å; W327-M417 HydrophobicContact CZ3-CE 3.72Å; W327-M417 HydrophobicContact CZ3-SD 4.5Å; W327-A448 HydrophobicContact CD2-CB 3.75Å; W327-A448 HydrophobicContact CE3-CB 3.82Å; W327-A448 HydrophobicContact CG-CB 4.14Å; W327-A448 HydrophobicContact CH2-CB 4.49Å; W327-A448 HydrophobicContact CZ2-CB 4.45Å; W327-A448 HydrophobicContact CZ3-CB 4.2Å
328	I	89.9	Confident	89.7	Confident	8 Å²	8	73.8 Å²	73.8	4%	0.041	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	130.8	-175.8	-55.4	161.4	0	0	0	110.6	Y337 I437 T440 A447 W449	I328-Y337 HydrophobicContact CD1-CD1 3.39Å; I328-Y337 HydrophobicContact CD1-CD2 4.25Å; I328-Y337 HydrophobicContact CD1-CE1 3.58Å; I328-Y337 HydrophobicContact CD1-CE2 4.39Å; I328-Y337 HydrophobicContact CD1-CG 3.76Å; I328-Y337 HydrophobicContact CG1-CD1 4.12Å; I328-Y337 HydrophobicContact CG1-CD2 4.08Å; I328-Y337 HydrophobicContact CG1-CE1 4.18Å; I328-Y337 HydrophobicContact CG1-CE2 4.13Å; I328-Y337 HydrophobicContact CG1-CG 4.07Å; I328-Y337 HydrophobicContact CG2-CD2 4.16Å; I328-Y337 HydrophobicContact CG2-CG 4.03Å; I328-I437 HydrophobicContact CD1-CB 4.24Å; I328-I437 HydrophobicContact CD1-CD1 3.29Å; I328-I437 HydrophobicContact CD1-CG1 4.32Å; I328-I437 HydrophobicContact CD1-CG2 4.47Å; I328-T440 HydrophobicContact CG2-CG2 4.38Å; I328-A447 PolarHBondContact N-O 2.85Å; I328-A447 PolarHBondContact O-N 3.3Å; I328-W449 VanDerWaalsContact CD1-CD1 3.42Å
329	Q	84.6	Confident	89.6	Confident	136 Å²	136	75.2 Å²	75.2	64%	0.636	38%	0.383	S	S	*	.			trans	-138.3	149	172.4	-70.8	179.7	-19.5	0	0	109.8	E446	Q329-E446 HydrophobicContact CG-CG 4.2Å; Q329-E446 PolarHBondContact NE2-OE1 2.79Å
330	G	84.4	Confident	89.6	Confident	46 Å²	46	75.8 Å²	75.8	47%	0.474	39%	0.389	S	S	.	.	S	Bend	trans	80.8	17.2	171.5	0	0	0	0	0	116.5	T440	G330-T440 PolarHBondContact N-O 2.84Å; G330-T440 PolarHBondContact N-OG1 3.31Å
331	S	87.4	Confident	89.6	Confident	7 Å²	7	75.8 Å²	75.8	5%	0.049	39%	0.389	C	S	.	.			trans	-89.9	139.2	177.1	-174.4	0	0	0	0	112	K335 P336 Y337 I437 S438 T440 N441	S331-K335 PolarHBondContact OG-O 2.92Å; S331-P336 WeakPolarHBondContact OG-CA 3.49Å; S331-Y337 PolarHBondContact OG-N 3.27Å; S331-I437 PolarHBondContact OG-O 3.07Å; S331-S438 CarbonylContact O-C 3.54Å; S331-T440 WeakPolarHBondContact CB-OG1 3.38Å; S331-T440 PolarHBondContact N-OG1 2.83Å; S331-T440 CarbonylContact O-C 3.52Å; S331-T440 PolarHBondContact O-N 3.23Å; S331-N441 WeakPolarHBondContact O-CB 3.21Å; S331-N441 PolarHBondContact O-N 2.87Å
332	N	86.6	Confident	89.7	Confident	49 Å²	49	75.8 Å²	75.8	26%	0.262	39%	0.389	S	S	.	.			trans	-134.3	176.5	178.3	67.8	46.7	0	0	0	111.3	E334 K335 P336 S438 N441	N332-E334 VanDerWaalsContact C-N 3.33Å; N332-E334 PolarHBondContact O-N 2.93Å; N332-E334 WeakPolarHBondContact OD1-CA 3.31Å; N332-E334 WeakPolarHBondContact OD1-CB 3.43Å; N332-E334 PolarHBondContact OD1-N 3.42Å; N332-K335 PolarHBondContact N-O 2.97Å; N332-K335 CarbonylContact O-C 3.59Å; N332-K335 PolarHBondContact O-N 3.49Å; N332-K335 PolarHBondContact OD1-N 2.81Å; N332-P336 VanDerWaalsContact O-CA 3.3Å; N332-P336 WeakPolarHBondContact O-CA 3.15Å; N332-S438 CarbonylContact C-O 3.53Å; N332-S438 WeakPolarHBondContact CA-O 3.37Å; N332-N441 HydrophobicContact CB-CB 4.05Å
333	T	83.1	Confident	89.9	Confident	100 Å²	100	75 Å²	75	61%	0.613	38%	0.384	S	S	*	.	S	Bend	trans	-67.2	-26.3	-178	48.2	0	0	0	0	114.8	F382 S438	T333-F382 HydrophobicContact CG2-CD1 4.02Å; T333-F382 HydrophobicContact CG2-CE1 3.75Å; T333-S438 PolarHBondContact N-O 3Å
334	E	86.3	Confident	90.1	Very high	184 Å²	184	76 Å²	76	86%	0.86	41%	0.405	S	S	*	.	S	Bend	trans	-81.4	-31.2	176.6	-63.1	-179.5	173.8	0	0	112.1	N332	N332-E334 VanDerWaalsContact C-N 3.33Å; N332-E334 PolarHBondContact O-N 2.93Å; N332-E334 WeakPolarHBondContact OD1-CA 3.31Å; N332-E334 WeakPolarHBondContact OD1-CB 3.43Å; N332-E334 PolarHBondContact OD1-N 3.42Å
335	K	89.2	Confident	90	Very high	166 Å²	166	69.8 Å²	69.8	72%	0.722	38%	0.381	S	S	*	.	S	Bend	trans	-132	73.9	178.4	-166.3	179.4	-179.4	-177.4	0	109.9	S331 N332	S331-K335 PolarHBondContact OG-O 2.92Å; N332-K335 PolarHBondContact N-O 2.97Å; N332-K335 CarbonylContact O-C 3.59Å; N332-K335 PolarHBondContact O-N 3.49Å; N332-K335 PolarHBondContact OD1-N 2.81Å
336	P	91.1	Very high	90	Very high	50 Å²	50	68.7 Å²	68.7	33%	0.325	38%	0.379	S	S	.	.			trans	-69.6	153.6	179.4	29.6	-35.3	0	0	0	110.8	S331 N332 V338 I436	S331-P336 WeakPolarHBondContact OG-CA 3.49Å; N332-P336 VanDerWaalsContact O-CA 3.3Å; N332-P336 WeakPolarHBondContact O-CA 3.15Å; P336-V338 HydrophobicContact CG-CG2 4.31Å; P336-I436 HydrophobicContact CB-CG2 3.91Å; P336-I436 HydrophobicContact CG-CG2 4.48Å
337	Y	93.2	Very high	89.9	Confident	62 Å²	62	70.1 Å²	70.1	24%	0.243	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	129.9	166.6	174.1	-90.1	0	0	0	107.4	I328 S331 M339 I436 I437 W449	I328-Y337 HydrophobicContact CD1-CD1 3.39Å; I328-Y337 HydrophobicContact CD1-CD2 4.25Å; I328-Y337 HydrophobicContact CD1-CE1 3.58Å; I328-Y337 HydrophobicContact CD1-CE2 4.39Å; I328-Y337 HydrophobicContact CD1-CG 3.76Å; I328-Y337 HydrophobicContact CG1-CD1 4.12Å; I328-Y337 HydrophobicContact CG1-CD2 4.08Å; I328-Y337 HydrophobicContact CG1-CE1 4.18Å; I328-Y337 HydrophobicContact CG1-CE2 4.13Å; I328-Y337 HydrophobicContact CG1-CG 4.07Å; I328-Y337 HydrophobicContact CG2-CD2 4.16Å; I328-Y337 HydrophobicContact CG2-CG 4.03Å; S331-Y337 PolarHBondContact OG-N 3.27Å; Y337-M339 HydrophobicContact CE1-CB 3.8Å; Y337-I436 VanDerWaalsContact O-CA 3.3Å; Y337-I436 WeakPolarHBondContact O-CA 3.26Å; Y337-I437 WeakPolarHBondContact CB-O 3.26Å; Y337-I437 PolarHBondContact N-O 3.27Å; Y337-I437 PolarHBondContact O-N 2.77Å; Y337-W449 HydrophobicContact CE1-CZ2 4.39Å; Y337-W449 AromaticContact CE1-NE1 3.41Å; Y337-W449 AromaticContact CZ-NE1 3.84Å
338	V	93.3	Very high	89.8	Confident	69 Å²	69	68.3 Å²	68.3	42%	0.418	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	125.6	179.7	-177.7	0	0	0	0	108.7	P336 Q434 I435 I436	P336-V338 HydrophobicContact CG-CG2 4.31Å; V338-Q434 HydrophobicContact CG1-CG 3.77Å; V338-I435 WeakPolarHBondContact CA-O 3.4Å; V338-I436 HydrophobicContact CG2-CG1 4.47Å; V338-I436 HydrophobicContact CG2-CG2 4.4Å
339	M	93.4	Very high	89.9	Confident	34 Å²	34	69.2 Å²	69.2	17%	0.167	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129	172.8	-179.8	64.2	-168.2	0	0	110.4	N322 Y337 L341 Q434 I435 W449	N322-M339 HydrophobicContact CB-CE 3.75Å; Y337-M339 HydrophobicContact CE1-CB 3.8Å; M339-L341 HydrophobicContact CE-CD2 4.15Å; M339-L341 HydrophobicContact CG-CD2 4.04Å; M339-Q434 CarbonylContact O-C 3.45Å; M339-Q434 VanDerWaalsContact O-CA 3.23Å; M339-Q434 WeakPolarHBondContact O-CA 3.2Å; M339-Q434 WeakPolarHBondContact O-CG 3.48Å; M339-I435 PolarHBondContact N-O 3.38Å; M339-I435 PolarHBondContact O-N 3.22Å; M339-W449 HydrophobicContact CB-CH2 4.28Å; M339-W449 HydrophobicContact CB-CZ2 3.77Å; M339-W449 HydrophobicContact CG-CH2 3.65Å; M339-W449 HydrophobicContact CG-CZ2 3.54Å
340	N	94.3	Very high	90.3	Very high	97 Å²	97	62.9 Å²	62.9	52%	0.519	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	124.8	173.9	-62.7	-38.8	0	0	0	110.2	Q434	N340-Q434 WeakPolarHBondContact OD1-CG 3.5Å; N340-Q434 PolarHBondContact OD1-NE2 2.91Å
341	L	94.4	Very high	90.6	Very high	13 Å²	13	63.8 Å²	63.8	7%	0.068	35%	0.349	C	S	.	.			trans	-92.7	123.5	178.2	-58.3	-176.4	0	0	0	110	H320 N321 N322 M339 Y343 V432 T433 W449 I451	H320-L341 HydrophobicContact CB-CB 4.35Å; N321-L341 WeakPolarHBondContact OD1-CA 3.43Å; N322-L341 HydrophobicContact CB-CD2 4.43Å; M339-L341 HydrophobicContact CE-CD2 4.15Å; M339-L341 HydrophobicContact CG-CD2 4.04Å; L341-Y343 HydrophobicContact CB-CE2 3.98Å; L341-V432 HydrophobicContact CD1-CB 4.27Å; L341-V432 HydrophobicContact CD1-CG1 4Å; L341-T433 PolarHBondContact N-O 3.14Å; L341-W449 HydrophobicContact CD2-CH2 4.08Å; L341-W449 HydrophobicContact CD2-CZ3 4.35Å; L341-I451 HydrophobicContact CD1-CB 3.98Å; L341-I451 HydrophobicContact CD1-CG1 4.06Å; L341-I451 HydrophobicContact CD1-CG2 3.88Å
342	N	94	Very high	90.6	Very high	98 Å²	98	64.6 Å²	64.6	52%	0.524	36%	0.356	S	S	.	.			trans	-110.5	119.8	178	-178.6	1.6	0	0	0	110	H320 N321 G344	H320-N342 CarbonylContact C-O 3.59Å; H320-N342 WeakPolarHBondContact CA-O 3.4Å; H320-N342 WeakPolarHBondContact CB-O 3.03Å; N321-N342 HydrophobicContact CB-CB 4.47Å; N321-N342 PolarHBondContact N-O 2.86Å; N321-N342 PolarHBondContact OD1-N 3.47Å; N342-G344 PolarHBondContact OD1-N 3.47Å
343	Y	93.9	Very high	90.7	Very high	13 Å²	13	62.3 Å²	62.3	5%	0.051	34%	0.344	C	S	.	.			trans	-92.4	3.4	-177.3	-66.1	-97.2	0	0	0	114	V318 Q319 H320 L341 G345 L350 Q362 P431 V432 L454	V318-Y343 HydrophobicContact CB-CD1 4.46Å; V318-Y343 HydrophobicContact CG1-CD1 4.18Å; Q319-Y343 WeakPolarHBondContact O-CA 3.34Å; H320-Y343 HydrophobicContact CB-CD1 3.78Å; H320-Y343 HydrophobicContact CB-CD2 4.23Å; H320-Y343 HydrophobicContact CB-CE1 3.82Å; H320-Y343 HydrophobicContact CB-CE2 4.24Å; H320-Y343 HydrophobicContact CB-CG 3.99Å; H320-Y343 AromaticContact CD2-CE1 3.54Å; H320-Y343 AromaticContact CD2-CZ 3.86Å; L341-Y343 HydrophobicContact CB-CE2 3.98Å; Y343-G345 PolarHBondContact O-N 3.08Å; Y343-L350 HydrophobicContact CD2-CD1 4.1Å; Y343-L350 HydrophobicContact CG-CD1 4.09Å; Y343-Q362 PolarHBondContact OH-NE2 3.09Å; Y343-P431 HydrophobicContact CE1-CB 4.29Å; Y343-P431 HydrophobicContact CE2-CB 4.04Å; Y343-P431 HydrophobicContact CE2-CG 4.29Å; Y343-V432 VanDerWaalsContact CE2-O 3.24Å; Y343-V432 WeakPolarHBondContact CE2-O 2.98Å; Y343-V432 PolarHBondContact OH-O 3.25Å; Y343-L454 HydrophobicContact CD1-CB 4.4Å; Y343-L454 HydrophobicContact CE1-CB 4.01Å
344	G	88.7	Confident	91.1	Very high	72 Å²	72	57.6 Å²	57.6	74%	0.742	32%	0.315	S	S	*	.	S	Bend	trans	77.1	-2.4	179	0	0	0	0	0	115.5	N342	N342-G344 PolarHBondContact OD1-N 3.47Å
345	G	88.1	Confident	91	Very high	21 Å²	21	53.3 Å²	53.3	22%	0.216	30%	0.298	C	S	.	.	S	Bend	trans	-121.3	169.5	171	0	0	0	0	0	112.5	Y343	Y343-G345 PolarHBondContact O-N 3.08Å
346	S	92.3	Very high	90.5	Very high	45 Å²	45	47 Å²	47	32%	0.315	28%	0.279	S	S	.	.			trans	-72.6	158.3	172	92.9	0	0	0	0	111.2	E348 Q349 L350	S346-E348 VanDerWaalsContact C-N 3.27Å; S346-E348 WeakPolarHBondContact CB-OE2 3.38Å; S346-E348 PolarHBondContact O-N 3.43Å; S346-E348 PolarHBondContact OG-N 3.42Å; S346-E348 PolarHBondContact OG-OE2 2.04Å; S346-Q349 WeakPolarHBondContact O-CB 3.4Å; S346-Q349 PolarHBondContact O-N 2.95Å; S346-Q349 WeakPolarHBondContact OG-CG 3.45Å; S346-Q349 PolarHBondContact OG-N 2.9Å; S346-L350 WeakPolarHBondContact O-CG 3.34Å; S346-L350 PolarHBondContact O-N 2.79Å; S346-L350 VanDerWaalsContact O-N 3.17Å
347	M	90.6	Very high	90.3	Very high	60 Å²	60	44.8 Å²	44.8	30%	0.296	27%	0.266	S	S	.	.	H	α-helix	trans	-63.3	-37	178.9	-78.1	-58	-55	0	0	111.8	Q349 L350 E351 R388 P431 T433	M347-Q349 VanDerWaalsContact C-N 3.31Å; M347-Q349 PolarHBondContact O-N 2.79Å; M347-L350 PolarHBondContact O-N 2.82Å; M347-L350 HydrophobicContact SD-CD1 4.01Å; M347-E351 WeakPolarHBondContact O-CB 3.28Å; M347-E351 WeakPolarHBondContact O-CG 3.21Å; M347-E351 PolarHBondContact O-N 3.36Å; M347-R388 HydrophobicContact CE-CB 3.77Å; M347-P431 HydrophobicContact CE-CG 4.33Å; M347-T433 HydrophobicContact CE-CG2 3.88Å; M347-T433 HydrophobicContact SD-CG2 3.75Å
348	E	87.8	Confident	89.8	Confident	105 Å²	105	47.8 Å²	47.8	49%	0.491	28%	0.282	S	S	.	.	H	α-helix	trans	-63.6	-37.5	177.8	-54.4	79.4	-174.8	0	0	111.5	L300 S346 E351 A352	L300-E348 HydrophobicContact CD1-CB 4.19Å; L300-E348 WeakPolarHBondContact CD1-O 3.41Å; L300-E348 HydrophobicContact CD2-CB 3.54Å; L300-E348 HydrophobicContact CD2-CG 4.45Å; S346-E348 VanDerWaalsContact C-N 3.27Å; S346-E348 WeakPolarHBondContact CB-OE2 3.38Å; S346-E348 PolarHBondContact O-N 3.43Å; S346-E348 PolarHBondContact OG-N 3.42Å; S346-E348 PolarHBondContact OG-OE2 2.04Å; E348-E351 PolarHBondContact O-N 3.28Å; E348-A352 WeakPolarHBondContact O-CB 3.32Å; E348-A352 PolarHBondContact O-N 2.97Å
349	Q	91.9	Very high	89.6	Confident	27 Å²	27	46.4 Å²	46.4	13%	0.126	27%	0.271	C	S	.	.	H	α-helix	trans	-64.9	-42.2	174.1	-67	175.7	-67	0	0	111.8	L300 R301 P302 L303 S346 M347 L353	L300-Q349 HydrophobicContact CB-CG 4.28Å; R301-Q349 PolarHBondContact O-NE2 2.67Å; P302-Q349 PolarHBondContact O-NE2 3.3Å; L303-Q349 HydrophobicContact CD2-CB 4.48Å; S346-Q349 WeakPolarHBondContact O-CB 3.4Å; S346-Q349 PolarHBondContact O-N 2.95Å; S346-Q349 WeakPolarHBondContact OG-CG 3.45Å; S346-Q349 PolarHBondContact OG-N 2.9Å; M347-Q349 VanDerWaalsContact C-N 3.31Å; M347-Q349 PolarHBondContact O-N 2.79Å; Q349-L353 PolarHBondContact O-N 3.41Å; Q349-L353 VanDerWaalsContact O-N 3.1Å
350	L	93.3	Very high	89.6	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-67.4	-39.6	177.7	-62.6	169.4	0	0	0	111.2	L303 V318 Y343 S346 M347 L353 I354 P431 L454	L303-L350 HydrophobicContact CD2-CD2 3.91Å; V318-L350 HydrophobicContact CG1-CD2 3.96Å; V318-L350 HydrophobicContact CG2-CD2 4.48Å; Y343-L350 HydrophobicContact CD2-CD1 4.1Å; Y343-L350 HydrophobicContact CG-CD1 4.09Å; S346-L350 WeakPolarHBondContact O-CG 3.34Å; S346-L350 PolarHBondContact O-N 2.79Å; S346-L350 VanDerWaalsContact O-N 3.17Å; M347-L350 PolarHBondContact O-N 2.82Å; M347-L350 HydrophobicContact SD-CD1 4.01Å; L350-L353 PolarHBondContact O-N 2.02Å; L350-I354 WeakPolarHBondContact O-CB 3.32Å; L350-I354 WeakPolarHBondContact O-CD1 3.49Å; L350-I354 WeakPolarHBondContact O-CG1 3.34Å; L350-I354 PolarHBondContact O-N 3.23Å; L350-P431 HydrophobicContact CB-CG 4.44Å; L350-P431 HydrophobicContact CD1-CG 4.09Å; L350-L454 HydrophobicContact CD2-CD2 4.42Å
351	E	89.9	Confident	89.5	Confident	65 Å²	65	41.5 Å²	41.5	30%	0.304	24%	0.244	S	C	.	.	H	α-helix	trans	-62.6	-46.6	175.1	-75.9	172.7	-179.5	0	0	111.6	M347 E348 L353 I354 D355 R388	M347-E351 WeakPolarHBondContact O-CB 3.28Å; M347-E351 WeakPolarHBondContact O-CG 3.21Å; M347-E351 PolarHBondContact O-N 3.36Å; E348-E351 PolarHBondContact O-N 3.28Å; E351-L353 VanDerWaalsContact C-N 3.31Å; E351-L353 PolarHBondContact O-N 3.48Å; E351-I354 PolarHBondContact O-N 3.36Å; E351-D355 VanDerWaalsContact O-CB 3.29Å; E351-D355 WeakPolarHBondContact O-CB 3.43Å; E351-D355 VanDerWaalsContact O-CG 3.27Å; E351-D355 PolarHBondContact O-N 2.92Å; E351-R388 HydrophobicContact CG-CB 4.42Å
352	A	86.6	Confident	89.5	Confident	24 Å²	24	40.9 Å²	40.9	20%	0.198	24%	0.241	C	C	.	.	H	α-helix	trans	-58.5	-43.2	176	0	0	0	0	0	111.9	L300 E348 G356	L300-A352 HydrophobicContact CD1-CB 3.72Å; E348-A352 WeakPolarHBondContact O-CB 3.32Å; E348-A352 PolarHBondContact O-N 2.97Å; A352-G356 PolarHBondContact O-N 2.85Å
353	L	90.4	Very high	89.4	Confident	2 Å²	2	40 Å²	40	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-64.7	-45.7	175.9	-179	147.8	0	0	0	112	L303 V305 M316 V318 Q349 L350 E351 S357 L454 C456	L303-L353 HydrophobicContact CD2-CD1 4Å; V305-L353 HydrophobicContact CG1-CD1 3.66Å; M316-L353 HydrophobicContact CB-CD1 4.49Å; V318-L353 HydrophobicContact CG2-CD1 4.16Å; Q349-L353 PolarHBondContact O-N 3.41Å; Q349-L353 VanDerWaalsContact O-N 3.1Å; L350-L353 PolarHBondContact O-N 2.02Å; E351-L353 VanDerWaalsContact C-N 3.31Å; E351-L353 PolarHBondContact O-N 3.48Å; L353-S357 WeakPolarHBondContact O-CB 3.31Å; L353-S357 PolarHBondContact O-N 2.9Å; L353-S357 PolarHBondContact O-OG 3.19Å; L353-L454 HydrophobicContact CD2-CD2 4.32Å; L353-C456 HydrophobicContact CD2-CB 3.86Å; L353-C456 VanDerWaalsContact CD2-SG 3.53Å
354	I	90.6	Very high	89.2	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.4	-52.2	179.5	-71.2	165	0	0	0	109.4	L350 E351 G356 S357 K427 L430 P431 L454	L350-I354 WeakPolarHBondContact O-CB 3.32Å; L350-I354 WeakPolarHBondContact O-CD1 3.49Å; L350-I354 WeakPolarHBondContact O-CG1 3.34Å; L350-I354 PolarHBondContact O-N 3.23Å; E351-I354 PolarHBondContact O-N 3.36Å; I354-G356 VanDerWaalsContact C-N 3.31Å; I354-G356 PolarHBondContact O-N 2.76Å; I354-S357 PolarHBondContact O-N 3.03Å; I354-S357 VanDerWaalsContact O-N 3.13Å; I354-K427 HydrophobicContact CG2-CB 3.9Å; I354-K427 HydrophobicContact CG2-CG 4.15Å; I354-K427 WeakPolarHBondContact O-CE 3.4Å; I354-K427 PolarHBondContact O-NZ 3.14Å; I354-L430 HydrophobicContact CD1-CB 4.26Å; I354-P431 VanDerWaalsContact CD1-CD 3.48Å; I354-P431 HydrophobicContact CD1-CG 4.28Å; I354-L454 HydrophobicContact CD1-CD1 4.29Å; I354-L454 HydrophobicContact CD1-CD2 3.89Å; I354-L454 HydrophobicContact CG1-CD1 4.32Å; I354-L454 HydrophobicContact CG1-CD2 3.86Å
355	D	84.3	Confident	89.2	Confident	94 Å²	94	36.5 Å²	36.5	50%	0.503	20%	0.199	S	C	.	.	H	α-helix	trans	-65.4	-36.5	-175.2	-67.4	-19.1	0	0	0	111.6	E351 S357 R388 K427	E351-D355 VanDerWaalsContact O-CB 3.29Å; E351-D355 WeakPolarHBondContact O-CB 3.43Å; E351-D355 VanDerWaalsContact O-CG 3.27Å; E351-D355 PolarHBondContact O-N 2.92Å; D355-S357 VanDerWaalsContact C-N 3.31Å; D355-S357 PolarHBondContact O-N 2.82Å; D355-R388 IonicContact OD1-CZ 2.67Å; D355-R388 IonicContact OD1-NH1 3.53Å; D355-R388 PolarHBondContact OD1-NH1 2.96Å; D355-R388 IonicContact OD1-NH2 3.61Å; D355-R388 PolarHBondContact OD1-NH2 2.86Å; D355-R388 IonicContact OD2-NH1 3.62Å; D355-K427 PolarHBondContact O-NZ 3.08Å
356	G	79.2	Confident	89.1	Confident	33 Å²	33	35.5 Å²	35.5	34%	0.34	19%	0.189	S	C	.	.	H	α-helix	trans	-72.2	-14.6	174.8	0	0	0	0	0	115.8	A352 I354	A352-G356 PolarHBondContact O-N 2.85Å; I354-G356 VanDerWaalsContact C-N 3.31Å; I354-G356 PolarHBondContact O-N 2.76Å
357	S	86.4	Confident	88.6	Confident	5 Å²	5	36.4 Å²	36.4	4%	0.035	19%	0.186	C	C	.	.	S	Bend	trans	-93.1	147.4	179.9	-59.1	0	0	0	0	112.6	M316 L353 I354 D355 K427 C456	M316-S357 WeakPolarHBondContact CE-OG 3.02Å; L353-S357 WeakPolarHBondContact O-CB 3.31Å; L353-S357 PolarHBondContact O-N 2.9Å; L353-S357 PolarHBondContact O-OG 3.19Å; I354-S357 PolarHBondContact O-N 3.03Å; I354-S357 VanDerWaalsContact O-N 3.13Å; D355-S357 VanDerWaalsContact C-N 3.31Å; D355-S357 PolarHBondContact O-N 2.82Å; S357-K427 PolarHBondContact O-NZ 3.17Å; S357-C456 WeakPolarHBondContact OG-CB 3.34Å
358	E	82.8	Confident	88.1	Confident	124 Å²	124	33.8 Å²	33.8	58%	0.579	17%	0.173	S	C	*	.	S	Bend	trans	-62.5	-46.7	175	-170.3	-166.7	155.6	0	0	111.8	Y457 G458	E358-Y457 PolarHBondContact N-O 3.35Å; E358-G458 PolarHBondContact N-O 3.16Å
359	H	88.4	Confident	87.6	Confident	41 Å²	41	33.5 Å²	33.5	19%	0.19	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	144.6	-176.3	-178.8	84	0	0	0	111.1	E361 C456 Y457	H359-E361 IonicContact CD2-OE2 3.59Å; H359-E361 IonicContact CE1-OE2 3.83Å; H359-E361 IonicContact NE2-OE2 3.62Å; H359-E361 PolarHBondContact NE2-OE2 3.34Å; H359-C456 CarbonylContact O-C 3.57Å; H359-C456 WeakPolarHBondContact O-CA 3.5Å; H359-Y457 HydrophobicContact CB-CD1 4.14Å; H359-Y457 HydrophobicContact CB-CE1 3.67Å; H359-Y457 HydrophobicContact CB-CE2 4.25Å; H359-Y457 AromaticContact CD2-CD1 3.92Å; H359-Y457 AromaticContact CD2-CE1 3.27Å; H359-Y457 WeakPolarHBondContact CD2-CE1 3.47Å; H359-Y457 AromaticContact CD2-CZ 3.99Å; H359-Y457 AromaticContact CG-CE1 3.7Å; H359-Y457 AromaticContact CG-CZ 3.98Å; H359-Y457 PolarHBondContact N-O 3.27Å; H359-Y457 VanDerWaalsContact N-O 3.08Å; H359-Y457 PolarHBondContact O-N 2.85Å
360	C	92.9	Very high	86.7	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	143.8	171.7	-66.9	0	0	0	0	110.4	S425 K427 L430 L454 R455 C456	C360-S425 WeakPolarHBondContact O-CA 3.32Å; C360-K427 HydrophobicContact CB-CG 4.21Å; C360-L430 HydrophobicContact CB-CD1 3.99Å; C360-L454 HydrophobicContact CB-CD1 4.4Å; C360-R455 CarbonylContact C-O 3.46Å; C360-R455 VanDerWaalsContact CA-O 3.26Å; C360-R455 WeakPolarHBondContact CA-O 3.5Å; C360-C456 HydrophobicContact CB-CB 4.14Å; C360-C456 WeakPolarHBondContact CB-SG 3.44Å; C360-C456 WeakPolarHBondContact SG-CB 3.47Å; C360-C456 CovalentContact SG-SG 2.04Å; C360-C456 PolarHBondContact SG-SG 2.97Å
361	E	94	Very high	85.6	Confident	27 Å²	27	39 Å²	39	13%	0.126	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	155.8	177.3	66.5	-170.8	-152.1	0	0	113.3	W315 H359 F423 L424 R455	W315-E361 HydrophobicContact CH2-CG 4.09Å; W315-E361 VanDerWaalsContact CH2-OE1 3.28Å; W315-E361 WeakPolarHBondContact CH2-OE1 3.18Å; W315-E361 HydrophobicContact CZ3-CG 3.97Å; H359-E361 IonicContact CD2-OE2 3.59Å; H359-E361 IonicContact CE1-OE2 3.83Å; H359-E361 IonicContact NE2-OE2 3.62Å; H359-E361 PolarHBondContact NE2-OE2 3.34Å; E361-F423 HydrophobicContact CB-CD1 4.14Å; E361-F423 HydrophobicContact CG-CD1 4.06Å; E361-F423 HydrophobicContact CG-CE1 4.46Å; E361-L424 CarbonylContact C-O 3.59Å; E361-L424 WeakPolarHBondContact CA-O 3.47Å; E361-R455 HydrophobicContact CG-CB 4.22Å; E361-R455 PolarHBondContact N-O 3.2Å; E361-R455 PolarHBondContact O-N 3.45Å; E361-R455 IonicContact OE1-NH1 3.2Å
362	Q	93.4	Very high	84.8	Confident	0 Å²	0	40 Å²	40	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	129.3	166.7	-72.1	-168.8	-96.9	0	0	110.1	Y343 F423 L424 L430 G452 L454	Y343-Q362 PolarHBondContact OH-NE2 3.09Å; Q362-F423 CarbonylContact O-C 3.58Å; Q362-F423 WeakPolarHBondContact O-CA 3.37Å; Q362-L424 PolarHBondContact N-O 2.84Å; Q362-L424 PolarHBondContact O-N 3.23Å; Q362-L430 HydrophobicContact CB-CD2 4.21Å; Q362-L430 HydrophobicContact CG-CD2 4.1Å; Q362-G452 PolarHBondContact NE2-O 2.86Å; Q362-L454 HydrophobicContact CG-CB 4.28Å; Q362-L454 HydrophobicContact CG-CD1 4.08Å
363	E	92.4	Very high	84	Confident	80 Å²	80	39.8 Å²	39.8	37%	0.374	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	133.4	169.3	-172.3	178.8	-153.6	0	0	109.1	F423 G452	E363-F423 HydrophobicContact CB-CD1 4.2Å; E363-F423 HydrophobicContact CB-CE1 3.89Å; E363-F423 HydrophobicContact CG-CE1 4.42Å; E363-G452 PolarHBondContact O-N 3.3Å
364	V	90.1	Very high	82.9	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	138.6	175.3	59.8	0	0	0	0	109.6	W396 G397 T421 G422 L424 R450 I451	V364-W396 HydrophobicContact CG2-CE3 3.45Å; V364-W396 VanDerWaalsContact CG2-CE3 3.45Å; V364-W396 HydrophobicContact CG2-CZ3 3.75Å; V364-G397 VanDerWaalsContact CG1-CA 3.42Å; V364-T421 WeakPolarHBondContact O-CA 3.33Å; V364-G422 WeakPolarHBondContact CG1-O 3.13Å; V364-G422 PolarHBondContact N-O 3.21Å; V364-G422 PolarHBondContact O-N 3.26Å; V364-L424 HydrophobicContact CB-CD1 4.21Å; V364-L424 HydrophobicContact CB-CG 4.25Å; V364-L424 HydrophobicContact CG1-CD1 4.12Å; V364-L424 HydrophobicContact CG1-CD2 3.94Å; V364-L424 HydrophobicContact CG1-CG 3.67Å; V364-R450 WeakPolarHBondContact CA-O 3.3Å; V364-I451 HydrophobicContact CB-CD1 3.77Å; V364-I451 HydrophobicContact CG2-CD1 3.42Å; V364-I451 VanDerWaalsContact CG2-CD1 3.42Å
365	T	87.6	Confident	81.7	Confident	10 Å²	10	46.4 Å²	46.4	6%	0.061	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	128.4	169.6	-46.5	0	0	0	0	109.3	Y367 D420 T421 W449 R450	T365-Y367 HydrophobicContact CG2-CD2 3.86Å; T365-Y367 HydrophobicContact CG2-CE2 3.24Å; T365-D420 WeakPolarHBondContact CA-O 3.42Å; T365-T421 HydrophobicContact CG2-CG2 4.48Å; T365-T421 WeakPolarHBondContact CG2-OG1 3.06Å; T365-W449 CarbonylContact O-C 3.51Å; T365-W449 VanDerWaalsContact O-CA 3.25Å; T365-W449 WeakPolarHBondContact O-CA 3.39Å; T365-R450 PolarHBondContact N-O 2.87Å; T365-R450 PolarHBondContact O-N 2.9Å
366	Y	85.7	Confident	80.7	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	123	171.1	-177	-106.6	0	0	0	109.9	C368 L373 A383 W396 N419 D420 I437 A447 W449	Y366-C368 HydrophobicContact CD1-CB 4.31Å; Y366-C368 HydrophobicContact CE1-CB 3.62Å; Y366-L373 HydrophobicContact CD1-CD1 4.2Å; Y366-L373 HydrophobicContact CD1-CD2 4.02Å; Y366-L373 HydrophobicContact CD1-CG 4.44Å; Y366-L373 HydrophobicContact CE1-CD1 3.79Å; Y366-L373 HydrophobicContact CE1-CD2 3.61Å; Y366-L373 HydrophobicContact CE1-CG 3.76Å; Y366-A383 HydrophobicContact CE2-CB 4.44Å; Y366-W396 HydrophobicContact CD2-CE3 4.38Å; Y366-W396 HydrophobicContact CD2-CH2 4.28Å; Y366-W396 HydrophobicContact CD2-CZ2 4.42Å; Y366-W396 HydrophobicContact CD2-CZ3 4.26Å; Y366-W396 HydrophobicContact CG-CD2 4.2Å; Y366-W396 HydrophobicContact CG-CE3 4.21Å; Y366-N419 CarbonylContact O-C 3.56Å; Y366-N419 WeakPolarHBondContact O-CA 3.37Å; Y366-D420 PolarHBondContact N-O 3.16Å; Y366-D420 PolarHBondContact O-N 3.39Å; Y366-I437 HydrophobicContact CE2-CD1 3.79Å; Y366-I437 HydrophobicContact CE2-CG1 4.25Å; Y366-A447 HydrophobicContact CE2-CB 4.15Å; Y366-W449 HydrophobicContact CD2-CB 4.25Å
367	Y	83.3	Confident	79.8	Confident	65 Å²	65	48.8 Å²	48.8	26%	0.255	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	133.2	173.2	-65.8	-92.2	0	0	0	108.6	L325 T365 M417 S418 N419 A447 A448	L325-Y367 HydrophobicContact CD1-CD2 3.63Å; L325-Y367 HydrophobicContact CD1-CE2 3.54Å; L325-Y367 HydrophobicContact CD2-CE2 4.14Å; T365-Y367 HydrophobicContact CG2-CD2 3.86Å; T365-Y367 HydrophobicContact CG2-CE2 3.24Å; Y367-M417 HydrophobicContact CD1-CG 4.39Å; Y367-S418 WeakPolarHBondContact CA-O 3.3Å; Y367-N419 HydrophobicContact CD1-CB 3.53Å; Y367-N419 HydrophobicContact CE1-CB 3.39Å; Y367-N419 HydrophobicContact CG-CB 4.25Å; Y367-A447 CarbonylContact O-C 3.56Å; Y367-A447 VanDerWaalsContact O-CA 3.23Å; Y367-A447 WeakPolarHBondContact O-CA 3.39Å; Y367-A448 HydrophobicContact CD2-CB 4.2Å; Y367-A448 HydrophobicContact CG-CB 4.47Å; Y367-A448 PolarHBondContact N-O 2.85Å; Y367-A448 PolarHBondContact O-N 2.85Å
368	C	78.6	Confident	78.6	Confident	4 Å²	4	56 Å²	56	3%	0.027	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	143.5	171.6	66.2	0	0	0	0	111.8	Y366 S418	Y366-C368 HydrophobicContact CD1-CB 4.31Å; Y366-C368 HydrophobicContact CE1-CB 3.62Å; C368-S418 PolarHBondContact N-O 3.33Å; C368-S418 VanDerWaalsContact N-O 3.13Å; C368-S418 PolarHBondContact O-N 2.91Å
369	R	78.2	Confident	77.8	Confident	100 Å²	100	51.1 Å²	51.1	38%	0.377	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	110.8	170.1	-176.7	-175.6	-172.2	-174.3	3.7	108	S371 M417 S445 E446	R369-S371 PolarHBondContact O-N 3.44Å; R369-M417 HydrophobicContact CB-CE 3.94Å; R369-M417 HydrophobicContact CB-SD 3.99Å; R369-S445 VanDerWaalsContact O-CA 3.3Å; R369-S445 WeakPolarHBondContact O-CA 3.23Å; R369-E446 HydrophobicContact CB-CB 4.39Å; R369-E446 PolarHBondContact N-O 2.92Å; R369-E446 IonicContact NH1-OE2 3.85Å; R369-E446 PolarHBondContact O-N 2.94Å
370	R	72.4	Confident	77	Confident	136 Å²	136	52.6 Å²	52.6	51%	0.513	28%	0.277	S	S	.	.	S	Bend	trans	53.3	17.9	-176.6	-58.6	-178.2	173.4	-174.1	-2	114.7	R442 S445	R370-R442 PolarHBondContact O-NH2 3.36Å; R370-R442 VanDerWaalsContact O-NH2 3.15Å; R370-S445 PolarHBondContact O-OG 3.29Å
371	S	71.3	Confident	76.4	Confident	7 Å²	7	53.9 Å²	53.9	5%	0.049	29%	0.285	C	S	.	.			trans	-99.6	119.7	171.4	-179.3	0	0	0	0	107.6	R369 D439 S445	R369-S371 PolarHBondContact O-N 3.44Å; S371-D439 PolarHBondContact OG-O 2.89Å; S371-S445 WeakPolarHBondContact CA-OG 3.45Å; S371-S445 WeakPolarHBondContact CB-OG 3.33Å; S371-S445 PolarHBondContact N-OG 2.95Å
372	H	72.6	Confident	75.9	Confident	88 Å²	88	54 Å²	54	41%	0.407	29%	0.286	S	S	.	.			trans	-76.7	144.5	177.9	-60.1	167.9	0	0	0	109.8	F382 D439 R442	H372-F382 HydrophobicContact CB-CD2 3.89Å; H372-F382 HydrophobicContact CB-CE2 4.34Å; H372-F382 WeakPolarHBondContact O-CB 3.4Å; H372-D439 WeakPolarHBondContact CB-OD2 3.2Å; H372-D439 IonicContact CG-OD2 3.56Å; H372-D439 PolarHBondContact N-OD2 3.21Å; H372-R442 PolarHBondContact CD2-NH2 2.96Å; H372-R442 PolarHBondContact CE1-NH1 3.18Å; H372-R442 VanDerWaalsContact CE1-NH1 3.32Å; H372-R442 PolarHBondContact CE1-NH2 2.85Å; H372-R442 VanDerWaalsContact CE1-NH2 3.28Å; H372-R442 PolarHBondContact ND1-NH2 3.43Å; H372-R442 PolarHBondContact NE2-NH1 3Å; H372-R442 PolarHBondContact NE2-NH2 2.76Å; H372-R442 VanDerWaalsContact NE2-NH2 3.14Å
373	L	70.1	Confident	75.5	Confident	19 Å²	19	54.1 Å²	54.1	10%	0.099	29%	0.286	C	S	.	.	S	Bend	trans	-87.5	-33.1	169.2	-81.5	132.4	0	0	0	111.7	Y366 P381 F382 A383 W396 C406	Y366-L373 HydrophobicContact CD1-CD1 4.2Å; Y366-L373 HydrophobicContact CD1-CD2 4.02Å; Y366-L373 HydrophobicContact CD1-CG 4.44Å; Y366-L373 HydrophobicContact CE1-CD1 3.79Å; Y366-L373 HydrophobicContact CE1-CD2 3.61Å; Y366-L373 HydrophobicContact CE1-CG 3.76Å; L373-P381 CarbonylContact O-C 3.56Å; L373-P381 WeakPolarHBondContact O-CA 3.36Å; L373-F382 PolarHBondContact O-N 3.44Å; L373-A383 HydrophobicContact CD2-CB 4.07Å; L373-W396 HydrophobicContact CD2-CG 4.49Å; L373-C406 HydrophobicContact CD1-CB 3.61Å; L373-C406 WeakPolarHBondContact CD1-SG 3.34Å
374	L	67.6	Low	75.4	Confident	38 Å²	38	52.1 Å²	52.1	20%	0.199	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-132.2	147.9	-179.4	-68.2	158.1	0	0	0	110.5	P381 Q404	L374-P381 HydrophobicContact CD2-CB 3.82Å; L374-Q404 VanDerWaalsContact CD1-C 3.44Å; L374-Q404 HydrophobicContact CD1-CB 3.76Å; L374-Q404 WeakPolarHBondContact CD1-O 3.42Å
375	N	64.8	Low	75.4	Confident	103 Å²	103	52.1 Å²	52.1	55%	0.551	28%	0.275	S	S	*	.	S	Bend	trans	-84.9	-48.3	176.8	-163.8	8.9	0	0	0	112.1	F382	N375-F382 HydrophobicContact CB-CD2 4.13Å; N375-F382 HydrophobicContact CB-CE2 3.34Å; N375-F382 HydrophobicContact CB-CZ 3.64Å; N375-F382 VanDerWaalsContact CG-CZ 3.49Å
376	T	63.3	Low	75.7	Confident	73 Å²	73	51.9 Å²	51.9	45%	0.448	27%	0.274	S	S	.	.	S	Bend	trans	-143.6	163.1	175.1	53.7	0	0	0	0	108.7	D378 G379	T376-D378 PolarHBondContact O-N 3.25Å; T376-G379 PolarHBondContact O-N 2.58Å; T376-G379 WeakPolarHBondContact OG1-CA 3.27Å; T376-G379 PolarHBondContact OG1-N 2.84Å
377	P	59.5	Low	76	Confident	103 Å²	103	52 Å²	52	67%	0.669	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-15.2	177.4	-24.4	34.3	0	0	0	115.4	Q404	P377-Q404 VanDerWaalsContact O-CD 3.31Å; P377-Q404 PolarHBondContact O-NE2 3.31Å; P377-Q404 PolarHBondContact O-OE1 3.37Å
378	D	61	Low	76.2	Confident	158 Å²	158	50.6 Å²	50.6	85%	0.845	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.6	7.7	176.3	-57.9	-54.7	0	0	0	112.1	T376	T376-D378 PolarHBondContact O-N 3.25Å
379	G	67.3	Low	76.5	Confident	21 Å²	21	52.9 Å²	52.9	22%	0.216	29%	0.285	C	S	.	.	S	Bend	trans	-92.5	163.1	-173	0	0	0	0	0	113.2	T376	T376-G379 PolarHBondContact O-N 2.58Å; T376-G379 WeakPolarHBondContact OG1-CA 3.27Å; T376-G379 PolarHBondContact OG1-N 2.84Å
380	A	71.6	Confident	76.9	Confident	72 Å²	72	54.1 Å²	54.1	60%	0.595	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-61.5	134.9	173.5	0	0	0	0	0	110.8
381	P	79.7	Confident	77.6	Confident	27 Å²	27	52.8 Å²	52.8	18%	0.175	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-65.7	149	175.7	28.8	-35.4	0	0	0	110.8	L373 L374 W384 P394	L373-P381 CarbonylContact O-C 3.56Å; L373-P381 WeakPolarHBondContact O-CA 3.36Å; L374-P381 HydrophobicContact CD2-CB 3.82Å; P381-W384 HydrophobicContact CB-CE3 4.29Å; P381-W384 HydrophobicContact CG-CB 4.28Å; P381-W384 HydrophobicContact CG-CD2 4.33Å; P381-W384 HydrophobicContact CG-CE3 3.92Å; P381-W384 WeakPolarHBondContact O-CZ3 3.5Å; P381-P394 HydrophobicContact CB-CB 3.9Å; P381-P394 HydrophobicContact CG-CB 4.06Å
382	F	83.6	Confident	78.4	Confident	30 Å²	30	60.8 Å²	60.8	13%	0.132	33%	0.328	C	S	.	.	S	Bend	trans	-89.1	-20.2	173.2	-72.6	-62.3	0	0	0	112.6	T333 H372 L373 N375 S438 D439	T333-F382 HydrophobicContact CG2-CD1 4.02Å; T333-F382 HydrophobicContact CG2-CE1 3.75Å; H372-F382 HydrophobicContact CB-CD2 3.89Å; H372-F382 HydrophobicContact CB-CE2 4.34Å; H372-F382 WeakPolarHBondContact O-CB 3.4Å; L373-F382 PolarHBondContact O-N 3.44Å; N375-F382 HydrophobicContact CB-CD2 4.13Å; N375-F382 HydrophobicContact CB-CE2 3.34Å; N375-F382 HydrophobicContact CB-CZ 3.64Å; N375-F382 VanDerWaalsContact CG-CZ 3.49Å; F382-S438 WeakPolarHBondContact CA-OG 3.5Å; F382-S438 PolarHBondContact O-N 3.2Å; F382-S438 PolarHBondContact O-OG 2.58Å; F382-D439 HydrophobicContact CB-CB 3.78Å; F382-D439 HydrophobicContact CD1-CB 4.13Å; F382-D439 HydrophobicContact CD2-CB 4.4Å; F382-D439 HydrophobicContact CG-CB 3.88Å
383	A	85.8	Confident	79	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.008	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	130.1	173.2	0	0	0	0	0	110.8	Y366 L373 W396 I436 I437	Y366-A383 HydrophobicContact CE2-CB 4.44Å; L373-A383 HydrophobicContact CD2-CB 4.07Å; A383-W396 HydrophobicContact CB-CZ2 4.43Å; A383-I436 VanDerWaalsContact CA-O 3.27Å; A383-I436 WeakPolarHBondContact CA-O 3.49Å; A383-I437 HydrophobicContact CB-CG1 3.97Å
384	W	88.4	Confident	79.6	Confident	39 Å²	39	58.3 Å²	58.3	15%	0.148	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	167.7	178.1	67.3	93.2	0	0	0	110.1	P381 R392 H393 I436	P381-W384 HydrophobicContact CB-CE3 4.29Å; P381-W384 HydrophobicContact CG-CB 4.28Å; P381-W384 HydrophobicContact CG-CD2 4.33Å; P381-W384 HydrophobicContact CG-CE3 3.92Å; P381-W384 WeakPolarHBondContact O-CZ3 3.5Å; W384-R392 HydrophobicContact CG-CB 4.32Å; W384-H393 WeakPolarHBondContact CA-O 3.46Å; W384-H393 WeakPolarHBondContact CB-O 3.17Å; W384-I436 HydrophobicContact CD2-CB 4.07Å; W384-I436 HydrophobicContact CD2-CG2 4.49Å; W384-I436 HydrophobicContact CE3-CB 4.46Å; W384-I436 HydrophobicContact CH2-CB 4.16Å; W384-I436 HydrophobicContact CH2-CG2 3.54Å; W384-I436 HydrophobicContact CZ2-CB 3.73Å; W384-I436 HydrophobicContact CZ2-CG1 4.03Å; W384-I436 HydrophobicContact CZ2-CG2 3.48Å; W384-I436 VanDerWaalsContact CZ2-CG2 3.48Å; W384-I436 HydrophobicContact CZ3-CB 4.49Å; W384-I436 HydrophobicContact CZ3-CG2 4.07Å; W384-I436 PolarHBondContact N-O 2.94Å; W384-I436 PolarHBondContact O-N 3.14Å
385	W	91.6	Very high	80.1	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	163.9	171.3	61.5	-88.3	0	0	0	110.5	H393 Y395 L424 H429 V432 Q434 I435	W385-H393 VanDerWaalsContact CD1-O 3.31Å; W385-H393 HydrophobicContact CD2-CB 3.79Å; W385-H393 VanDerWaalsContact CE2-CB 3.45Å; W385-H393 HydrophobicContact CE3-CB 4.26Å; W385-H393 AromaticContact CE3-CD2 3.85Å; W385-H393 HydrophobicContact CG-CB 4.28Å; W385-H393 HydrophobicContact CH2-CB 4.22Å; W385-H393 AromaticContact CH2-CD2 3.68Å; W385-H393 HydrophobicContact CZ2-CB 3.7Å; W385-H393 HydrophobicContact CZ3-CB 4.46Å; W385-H393 AromaticContact CZ3-CD2 3.54Å; W385-H393 PolarHBondContact N-O 2.85Å; W385-H393 PolarHBondContact O-N 2.83Å; W385-Y395 HydrophobicContact CZ2-CE1 4Å; W385-Y395 AromaticContact CZ2-CE2 3.98Å; W385-Y395 HydrophobicContact CZ2-CE2 3.98Å; W385-Y395 AromaticContact CZ2-CZ 3.5Å; W385-Y395 VanDerWaalsContact CZ2-CZ 3.5Å; W385-Y395 VanDerWaalsContact CZ2-OH 3.24Å; W385-Y395 WeakPolarHBondContact CZ2-OH 3.26Å; W385-Y395 PolarHBondContact NE1-O 2.98Å; W385-L424 HydrophobicContact CD2-CD1 4.31Å; W385-L424 HydrophobicContact CH2-CD1 4.1Å; W385-L424 HydrophobicContact CZ2-CD1 3.64Å; W385-L424 HydrophobicContact CZ2-CD2 3.89Å; W385-L424 HydrophobicContact CZ2-CG 4.25Å; W385-H429 HydrophobicContact CH2-CB 3.57Å; W385-H429 HydrophobicContact CZ3-CB 4.15Å; W385-H429 WeakPolarHBondContact CZ3-O 3.15Å; W385-V432 HydrophobicContact CB-CG1 4.06Å; W385-V432 HydrophobicContact CD2-CG1 4.47Å; W385-V432 HydrophobicContact CD2-CG2 4.18Å; W385-V432 HydrophobicContact CE3-CB 4.25Å; W385-V432 HydrophobicContact CE3-CG1 4.1Å; W385-V432 HydrophobicContact CE3-CG2 3.75Å; W385-V432 HydrophobicContact CG-CG1 4.49Å; W385-V432 HydrophobicContact CZ3-CG2 3.94Å; W385-Q434 CarbonylContact C-O 3.6Å; W385-Q434 WeakPolarHBondContact CA-O 3.37Å; W385-Q434 WeakPolarHBondContact CB-O 3.38Å; W385-I435 HydrophobicContact CB-CG1 4.2Å
386	T	93.8	Very high	80.8	Confident	5 Å²	5	52 Å²	52	3%	0.031	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	148.8	174.7	67.5	0	0	0	0	111.3	E391 T433 Q434 I436	T386-E391 WeakPolarHBondContact CA-O 3.25Å; T386-E391 WeakPolarHBondContact CB-O 3.2Å; T386-T433 PolarHBondContact O-N 2.95Å; T386-T433 PolarHBondContact O-OG1 2.76Å; T386-T433 VanDerWaalsContact O-OG1 3.05Å; T386-T433 PolarHBondContact OG1-OG1 3.37Å; T386-Q434 PolarHBondContact N-O 3.04Å; T386-Q434 PolarHBondContact O-N 3.16Å; T386-Q434 WeakPolarHBondContact OG1-CB 3.44Å; T386-I436 HydrophobicContact CG2-CD1 4.12Å
387	G	91.8	Very high	80.9	Confident	2 Å²	2	48.6 Å²	48.6	2%	0.021	27%	0.265	C	S	.	.			trans	-105.4	-157.5	-176.9	0	0	0	0	0	114.9	S389 N390 H429 P431 T433	G387-S389 VanDerWaalsContact C-N 3.34Å; G387-N390 PolarHBondContact O-N 3.1Å; G387-H429 WeakPolarHBondContact CA-O 3.22Å; G387-P431 WeakPolarHBondContact CA-O 3.28Å; G387-T433 PolarHBondContact O-OG1 2.87Å
388	R	87.6	Confident	80.9	Confident	37 Å²	37	46.3 Å²	46.3	14%	0.14	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-33.1	170.1	61.3	177.8	158.9	176.2	4.8	114.3	M347 E351 D355 N390 K427 D428 L430	M347-R388 HydrophobicContact CE-CB 3.77Å; E351-R388 HydrophobicContact CG-CB 4.42Å; D355-R388 IonicContact OD1-CZ 2.67Å; D355-R388 IonicContact OD1-NH1 3.53Å; D355-R388 PolarHBondContact OD1-NH1 2.96Å; D355-R388 IonicContact OD1-NH2 3.61Å; D355-R388 PolarHBondContact OD1-NH2 2.86Å; D355-R388 IonicContact OD2-NH1 3.62Å; R388-N390 PolarHBondContact O-N 2.82Å; R388-K427 PolarHBondContact NE-O 3.21Å; R388-K427 PolarHBondContact NH2-O 3.13Å; R388-D428 WeakPolarHBondContact CG-O 3.34Å; R388-D428 PolarHBondContact NE-O 3.44Å; R388-D428 IonicContact NH2-OD1 2.79Å; R388-D428 PolarHBondContact NH2-OD1 2.85Å; R388-L430 WeakPolarHBondContact CB-O 3.21Å; R388-L430 WeakPolarHBondContact CD-O 3.47Å; R388-L430 WeakPolarHBondContact CG-O 3.39Å; R388-L430 PolarHBondContact NE-O 2.96Å
389	S	84.6	Confident	81.1	Confident	52 Å²	52	42 Å²	42	36%	0.364	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-1.4	178.4	57.6	0	0	0	0	114	G387 E391	G387-S389 VanDerWaalsContact C-N 3.34Å; S389-E391 PolarHBondContact O-N 2.91Å; S389-E391 VanDerWaalsContact O-N 3.11Å; S389-E391 WeakPolarHBondContact OG-CB 3.47Å; S389-E391 WeakPolarHBondContact OG-CG 3.37Å; S389-E391 PolarHBondContact OG-OE2 2.82Å
390	N	85.9	Confident	80.8	Confident	125 Å²	125	46.9 Å²	46.9	67%	0.668	25%	0.248	S	C	*	.			trans	55.1	22.6	-172.4	-161	33.5	0	0	0	113.7	G387 R388	G387-N390 PolarHBondContact O-N 3.1Å; R388-N390 PolarHBondContact O-N 2.82Å
391	E	88.3	Confident	80.1	Confident	109 Å²	109	46.2 Å²	46.2	51%	0.509	24%	0.238	S	C	.	.			trans	-84.6	155	174.3	-67.4	176.2	169.8	0	0	110.8	T386 S389	T386-E391 WeakPolarHBondContact CA-O 3.25Å; T386-E391 WeakPolarHBondContact CB-O 3.2Å; S389-E391 PolarHBondContact O-N 2.91Å; S389-E391 VanDerWaalsContact O-N 3.11Å; S389-E391 WeakPolarHBondContact OG-CB 3.47Å; S389-E391 WeakPolarHBondContact OG-CG 3.37Å; S389-E391 PolarHBondContact OG-OE2 2.82Å
392	R	87.3	Confident	79.1	Confident	175 Å²	175	48.2 Å²	48.2	66%	0.66	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	123.3	179.8	-59.1	-178.6	-170.9	167.3	1.6	109.8	W384	W384-R392 HydrophobicContact CG-CB 4.32Å
393	H	86.5	Confident	78	Confident	11 Å²	11	50.3 Å²	50.3	5%	0.051	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	107.2	179.2	-62	-54.7	0	0	0	110.3	W384 W385 Y395 H429	W384-H393 WeakPolarHBondContact CA-O 3.46Å; W384-H393 WeakPolarHBondContact CB-O 3.17Å; W385-H393 VanDerWaalsContact CD1-O 3.31Å; W385-H393 HydrophobicContact CD2-CB 3.79Å; W385-H393 VanDerWaalsContact CE2-CB 3.45Å; W385-H393 HydrophobicContact CE3-CB 4.26Å; W385-H393 AromaticContact CE3-CD2 3.85Å; W385-H393 HydrophobicContact CG-CB 4.28Å; W385-H393 HydrophobicContact CH2-CB 4.22Å; W385-H393 AromaticContact CH2-CD2 3.68Å; W385-H393 HydrophobicContact CZ2-CB 3.7Å; W385-H393 HydrophobicContact CZ3-CB 4.46Å; W385-H393 AromaticContact CZ3-CD2 3.54Å; W385-H393 PolarHBondContact N-O 2.85Å; W385-H393 PolarHBondContact O-N 2.83Å; H393-Y395 VanDerWaalsContact C-N 3.32Å; H393-Y395 HydrophobicContact CB-CD1 4.02Å; H393-Y395 HydrophobicContact CB-CE1 3.64Å; H393-Y395 AromaticContact CG-CE1 3.9Å; H393-Y395 AromaticContact ND1-CE1 3.89Å; H393-H429 AromaticContact CE1-CD2 3.24Å; H393-H429 PolarHBondContact CE1-CD2 2.76Å; H393-H429 AromaticContact CE1-CE1 3.94Å; H393-H429 AromaticContact CE1-CG 3.47Å; H393-H429 VanDerWaalsContact CE1-CG 3.47Å; H393-H429 AromaticContact CE1-ND1 3.9Å; H393-H429 AromaticContact CE1-NE2 3.58Å; H393-H429 AromaticContact NE2-CD2 3.57Å; H393-H429 AromaticContact NE2-CG 3.58Å
394	P	81	Confident	76.6	Confident	43 Å²	43	54.4 Å²	54.4	28%	0.279	30%	0.295	S	S	.	.			trans	-86.4	3.1	-177.3	33.9	-35.4	0	0	0	114.2	P381	P381-P394 HydrophobicContact CB-CB 3.9Å; P381-P394 HydrophobicContact CG-CB 4.06Å
395	Y	78.4	Confident	75	Confident	7 Å²	7	58.3 Å²	58.3	3%	0.027	31%	0.313	C	S	.	.			trans	-97.1	150.3	-178.1	69.8	-85.7	0	0	0	111.6	W385 H393 Y399 P401 L424 F426 H429	W385-Y395 HydrophobicContact CZ2-CE1 4Å; W385-Y395 AromaticContact CZ2-CE2 3.98Å; W385-Y395 HydrophobicContact CZ2-CE2 3.98Å; W385-Y395 AromaticContact CZ2-CZ 3.5Å; W385-Y395 VanDerWaalsContact CZ2-CZ 3.5Å; W385-Y395 VanDerWaalsContact CZ2-OH 3.24Å; W385-Y395 WeakPolarHBondContact CZ2-OH 3.26Å; W385-Y395 PolarHBondContact NE1-O 2.98Å; H393-Y395 VanDerWaalsContact C-N 3.32Å; H393-Y395 HydrophobicContact CB-CD1 4.02Å; H393-Y395 HydrophobicContact CB-CE1 3.64Å; H393-Y395 AromaticContact CG-CE1 3.9Å; H393-Y395 AromaticContact ND1-CE1 3.89Å; Y395-Y399 WeakPolarHBondContact CD2-O 3.35Å; Y395-P401 HydrophobicContact CE1-CB 4.43Å; Y395-P401 HydrophobicContact CE1-CG 4.24Å; Y395-L424 HydrophobicContact CD2-CD2 4.07Å; Y395-L424 HydrophobicContact CE2-CD2 3.62Å; Y395-F426 HydrophobicContact CE2-CD2 4.44Å; Y395-H429 AromaticContact CZ-ND1 3.82Å; Y395-H429 PolarHBondContact OH-ND1 2.96Å
396	W	79	Confident	73.6	Confident	1 Å²	1	58.7 Å²	58.7	0%	0.004	32%	0.316	C	S	.	.			trans	-128.7	178	-177.2	-61.8	84.1	0	0	0	110	V364 Y366 L373 A383 G398 Y399 D420 I435	V364-W396 HydrophobicContact CG2-CE3 3.45Å; V364-W396 VanDerWaalsContact CG2-CE3 3.45Å; V364-W396 HydrophobicContact CG2-CZ3 3.75Å; Y366-W396 HydrophobicContact CD2-CE3 4.38Å; Y366-W396 HydrophobicContact CD2-CH2 4.28Å; Y366-W396 HydrophobicContact CD2-CZ2 4.42Å; Y366-W396 HydrophobicContact CD2-CZ3 4.26Å; Y366-W396 HydrophobicContact CG-CD2 4.2Å; Y366-W396 HydrophobicContact CG-CE3 4.21Å; L373-W396 HydrophobicContact CD2-CG 4.49Å; A383-W396 HydrophobicContact CB-CZ2 4.43Å; W396-G398 PolarHBondContact O-N 3.47Å; W396-Y399 WeakPolarHBondContact O-CD2 3.39Å; W396-Y399 PolarHBondContact O-N 2.83Å; W396-D420 HydrophobicContact CB-CB 4.35Å; W396-I435 HydrophobicContact CH2-CG1 4.43Å; W396-I435 HydrophobicContact CH2-CG2 4.2Å
397	G	65.7	Low	71.9	Confident	2 Å²	2	58.7 Å²	58.7	2%	0.021	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.2	123	-160	0	0	0	0	0	116.5	V364 Y399	V364-G397 VanDerWaalsContact CG1-CA 3.42Å; G397-Y399 WeakPolarHBondContact O-CD2 3.43Å; G397-Y399 WeakPolarHBondContact O-CE2 3.47Å
398	G	60.1	Low	70.3	Confident	56 Å²	56	58.9 Å²	58.9	58%	0.577	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.9	-2.1	173.2	0	0	0	0	0	116.7	W396	W396-G398 PolarHBondContact O-N 3.47Å
399	Y	64.5	Low	68.8	Low	67 Å²	67	59 Å²	59	26%	0.263	33%	0.33	S	S	.	.			trans	-114.1	153.2	-174.6	-60.4	-80	0	0	0	113.3	Y395 W396 G397 G407 L410	Y395-Y399 WeakPolarHBondContact CD2-O 3.35Å; W396-Y399 WeakPolarHBondContact O-CD2 3.39Å; W396-Y399 PolarHBondContact O-N 2.83Å; G397-Y399 WeakPolarHBondContact O-CD2 3.43Å; G397-Y399 WeakPolarHBondContact O-CE2 3.47Å; Y399-G407 WeakPolarHBondContact OH-CA 3.29Å; Y399-L410 HydrophobicContact CD1-CD1 4.27Å; Y399-L410 HydrophobicContact CE1-CD1 3.68Å
400	F	60.9	Low	67.6	Low	123 Å²	123	60.9 Å²	60.9	54%	0.539	34%	0.336	S	S	.	.			trans	-84.1	151.6	-174.1	-68.2	-88.8	0	0	0	112.5	G402 D403 F426	F400-G402 PolarHBondContact O-N 2.85Å; F400-D403 PolarHBondContact N-OD2 3.28Å; F400-D403 PolarHBondContact O-N 3.36Å; F400-F426 AromaticContact CD1-CZ 3.93Å; F400-F426 HydrophobicContact CD1-CZ 3.93Å
401	P	58.6	Low	66.3	Low	59 Å²	59	62 Å²	62	38%	0.383	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	110	169.2	-22.1	31.5	0	0	0	110	Y395 F426	Y395-P401 HydrophobicContact CE1-CB 4.43Å; Y395-P401 HydrophobicContact CE1-CG 4.24Å; P401-F426 HydrophobicContact CG-CD1 4.01Å; P401-F426 HydrophobicContact CG-CD2 3.86Å; P401-F426 HydrophobicContact CG-CE1 3.88Å; P401-F426 HydrophobicContact CG-CE2 3.76Å; P401-F426 HydrophobicContact CG-CG 4.02Å; P401-F426 HydrophobicContact CG-CZ 3.77Å
402	G	57.2	Low	65	Low	68 Å²	68	65.2 Å²	65.2	70%	0.701	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	124.4	-22.1	-175.8	0	0	0	0	0	113.8	F400 Q404	F400-G402 PolarHBondContact O-N 2.85Å; G402-Q404 PolarHBondContact O-N 2.9Å
403	D	60.2	Low	63.6	Low	74 Å²	74	59.1 Å²	59.1	40%	0.396	34%	0.336	S	S	.	.			trans	-76	94.4	171.4	-69.5	-31.7	0	0	0	108.8	F400 K405	F400-D403 PolarHBondContact N-OD2 3.28Å; F400-D403 PolarHBondContact O-N 3.36Å; D403-K405 PolarHBondContact O-N 2.79Å
404	Q	57.9	Low	62.4	Low	88 Å²	88	60.9 Å²	60.9	41%	0.411	35%	0.349	S	S	.	.			trans	-75	43.1	172.8	-64.4	-164.3	30.2	0	0	111.9	L374 P377 G402	L374-Q404 VanDerWaalsContact CD1-C 3.44Å; L374-Q404 HydrophobicContact CD1-CB 3.76Å; L374-Q404 WeakPolarHBondContact CD1-O 3.42Å; P377-Q404 VanDerWaalsContact O-CD 3.31Å; P377-Q404 PolarHBondContact O-NE2 3.31Å; P377-Q404 PolarHBondContact O-OE1 3.37Å; G402-Q404 PolarHBondContact O-N 2.9Å
405	K	55.4	Low	61.3	Low	120 Å²	120	65.9 Å²	65.9	52%	0.522	37%	0.372	S	S	.	.			trans	-144.8	149.4	179.6	-64.1	-175.1	179.2	-176.6	0	109.3	D403 L410	D403-K405 PolarHBondContact O-N 2.79Å; K405-L410 HydrophobicContact CB-CD2 4.23Å; K405-L410 HydrophobicContact CB-CG 3.99Å; K405-L410 HydrophobicContact CD-CD2 3.43Å; K405-L410 VanDerWaalsContact CD-CD2 3.43Å; K405-L410 HydrophobicContact CD-CG 4.06Å; K405-L410 HydrophobicContact CG-CD2 4.46Å
406	C	60.1	Low	60.5	Low	9 Å²	9	73 Å²	73	6%	0.061	41%	0.406	C	S	.	.			trans	-102.5	164.1	170.1	-66.3	0	0	0	0	109.5	L373 C408 G409 L410 D420	L373-C406 HydrophobicContact CD1-CB 3.61Å; L373-C406 WeakPolarHBondContact CD1-SG 3.34Å; C406-C408 VanDerWaalsContact C-N 3.32Å; C406-C408 PolarHBondContact O-N 2.74Å; C406-G409 CarbonylContact O-C 3.59Å; C406-G409 WeakPolarHBondContact O-CA 3.46Å; C406-G409 PolarHBondContact O-N 2.93Å; C406-L410 PolarHBondContact O-N 3.34Å; C406-D420 VanDerWaalsContact CB-OD2 3.31Å; C406-D420 WeakPolarHBondContact CB-OD2 3.31Å
407	G	59	Low	59.7	Low	5 Å²	5	76.5 Å²	76.5	5%	0.052	42%	0.423	C	S	.	.	H	α-helix	trans	-55.8	-45.3	-175.5	0	0	0	0	0	112.9	Y399 G409 L410 E411 D420	Y399-G407 WeakPolarHBondContact OH-CA 3.29Å; G407-G409 PolarHBondContact O-N 3.36Å; G407-L410 PolarHBondContact O-N 2.83Å; G407-E411 WeakPolarHBondContact O-CG 3.09Å; G407-E411 PolarHBondContact O-N 2.83Å; G407-D420 VanDerWaalsContact CA-OD1 3.32Å; G407-D420 WeakPolarHBondContact CA-OD1 3.24Å; G407-D420 PolarHBondContact N-OD1 2.72Å
408	C	58.3	Low	59.7	Low	5 Å²	5	77.1 Å²	77.1	3%	0.034	43%	0.428	C	S	.	.	H	α-helix	trans	-65.4	-27.5	175.6	82.5	0	0	0	0	113.2	C406 E412 S413 C414 S418	C406-C408 VanDerWaalsContact C-N 3.32Å; C406-C408 PolarHBondContact O-N 2.74Å; C408-E412 WeakPolarHBondContact O-CA 3.45Å; C408-E412 PolarHBondContact O-N 2.84Å; C408-S413 PolarHBondContact O-N 3Å; C408-C414 HydrophobicContact CB-CB 4.06Å; C408-C414 WeakPolarHBondContact CB-SG 3.25Å; C408-C414 PolarHBondContact O-SG 3.27Å; C408-C414 WeakPolarHBondContact SG-CB 3.5Å; C408-C414 CovalentContact SG-SG 2.06Å; C408-C414 PolarHBondContact SG-SG 3.29Å; C408-S418 VanDerWaalsContact CB-CB 3.47Å
409	G	56.5	Low	60.3	Low	39 Å²	39	78.5 Å²	78.5	40%	0.402	42%	0.422	S	S	.	.	H	α-helix	trans	-78.3	-21.6	178.6	0	0	0	0	0	113.3	C406 G407 C414	C406-G409 CarbonylContact O-C 3.59Å; C406-G409 WeakPolarHBondContact O-CA 3.46Å; C406-G409 PolarHBondContact O-N 2.93Å; G407-G409 PolarHBondContact O-N 3.36Å; G409-C414 PolarHBondContact N-SG 2.95Å; G409-C414 VanDerWaalsContact N-SG 3.36Å
410	L	58.4	Low	60.7	Low	93 Å²	93	75.6 Å²	75.6	49%	0.487	41%	0.41	S	S	.	.	H	α-helix	trans	-82.7	-36.4	169.5	-74.2	166.9	0	0	0	111.8	Y399 K405 C406 G407 E412	Y399-L410 HydrophobicContact CD1-CD1 4.27Å; Y399-L410 HydrophobicContact CE1-CD1 3.68Å; K405-L410 HydrophobicContact CB-CD2 4.23Å; K405-L410 HydrophobicContact CB-CG 3.99Å; K405-L410 HydrophobicContact CD-CD2 3.43Å; K405-L410 VanDerWaalsContact CD-CD2 3.43Å; K405-L410 HydrophobicContact CD-CG 4.06Å; K405-L410 HydrophobicContact CG-CD2 4.46Å; C406-L410 PolarHBondContact O-N 3.34Å; G407-L410 PolarHBondContact O-N 2.83Å; L410-E412 VanDerWaalsContact C-N 3.34Å
411	E	59.9	Low	61.7	Low	147 Å²	147	72.8 Å²	72.8	69%	0.687	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-1	-179.6	-66.4	-178.5	174.6	0	0	113.9	G407 S413	G407-E411 WeakPolarHBondContact O-CG 3.09Å; G407-E411 PolarHBondContact O-N 2.83Å; E411-S413 PolarHBondContact O-N 3.08Å; E411-S413 VanDerWaalsContact O-N 3.15Å
412	E	59.9	Low	63	Low	178 Å²	178	70.6 Å²	70.6	83%	0.832	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	29.2	-174.2	-59.9	-171.5	166.7	0	0	113.9	C408 L410	C408-E412 WeakPolarHBondContact O-CA 3.45Å; C408-E412 PolarHBondContact O-N 2.84Å; L410-E412 VanDerWaalsContact C-N 3.34Å
413	S	57.3	Low	64.5	Low	46 Å²	46	72 Å²	72	32%	0.322	38%	0.379	S	S	.	.			trans	-103	2.1	-169.9	62.3	0	0	0	0	114.8	C408 E411 L415 S418	C408-S413 PolarHBondContact O-N 3Å; E411-S413 PolarHBondContact O-N 3.08Å; E411-S413 VanDerWaalsContact O-N 3.15Å; S413-L415 PolarHBondContact O-N 3.39Å; S413-S418 PolarHBondContact O-OG 2.85Å
414	C	61.7	Low	65.9	Low	49 Å²	49	68.6 Å²	68.6	33%	0.331	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	17.8	-173.5	-46.8	0	0	0	0	116.3	C408 G409	C408-C414 HydrophobicContact CB-CB 4.06Å; C408-C414 WeakPolarHBondContact CB-SG 3.25Å; C408-C414 PolarHBondContact O-SG 3.27Å; C408-C414 WeakPolarHBondContact SG-CB 3.5Å; C408-C414 CovalentContact SG-SG 2.06Å; C408-C414 PolarHBondContact SG-SG 3.29Å; G409-C414 PolarHBondContact N-SG 2.95Å; G409-C414 VanDerWaalsContact N-SG 3.36Å
415	L	57.5	Low	67.3	Low	147 Å²	147	66.7 Å²	66.7	77%	0.77	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-25.8	177.3	-71.9	170.1	0	0	0	112.7	S413	S413-L415 PolarHBondContact O-N 3.39Å
416	E	62.7	Low	68.8	Low	156 Å²	156	63.7 Å²	63.7	73%	0.729	34%	0.344	S	S	*	.	S	Bend	trans	-102.1	176.1	169.6	-62.8	-163.5	157.5	0	0	110.6	S418	E416-S418 PolarHBondContact O-N 2.63Å; E416-S418 PolarHBondContact O-OG 2.86Å
417	M	62.2	Low	70.1	Confident	75 Å²	75	64.7 Å²	64.7	37%	0.369	35%	0.348	S	S	.	.			trans	-65.7	107.5	175.3	-176.9	72.3	71.1	0	0	108.8	W327 Y367 R369	W327-M417 HydrophobicContact CH2-CE 3.75Å; W327-M417 HydrophobicContact CH2-SD 4.41Å; W327-M417 HydrophobicContact CZ3-CE 3.72Å; W327-M417 HydrophobicContact CZ3-SD 4.5Å; Y367-M417 HydrophobicContact CD1-CG 4.39Å; R369-M417 HydrophobicContact CB-CE 3.94Å; R369-M417 HydrophobicContact CB-SD 3.99Å
418	S	66.5	Low	71.4	Confident	16 Å²	16	70.1 Å²	70.1	11%	0.112	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	148.7	178.9	-55.9	0	0	0	0	110.6	Y367 C368 C408 S413 E416	Y367-S418 WeakPolarHBondContact CA-O 3.3Å; C368-S418 PolarHBondContact N-O 3.33Å; C368-S418 VanDerWaalsContact N-O 3.13Å; C368-S418 PolarHBondContact O-N 2.91Å; C408-S418 VanDerWaalsContact CB-CB 3.47Å; S413-S418 PolarHBondContact O-OG 2.85Å; E416-S418 PolarHBondContact O-N 2.63Å; E416-S418 PolarHBondContact O-OG 2.86Å
419	N	71.5	Confident	72.9	Confident	85 Å²	85	71.3 Å²	71.3	46%	0.455	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.5	178.6	70.3	-41.4	0	0	0	112.4	Y366 Y367 T421	Y366-N419 CarbonylContact O-C 3.56Å; Y366-N419 WeakPolarHBondContact O-CA 3.37Å; Y367-N419 HydrophobicContact CD1-CB 3.53Å; Y367-N419 HydrophobicContact CE1-CB 3.39Å; Y367-N419 HydrophobicContact CG-CB 4.25Å; N419-T421 PolarHBondContact ND2-OG1 3.34Å; N419-T421 VanDerWaalsContact ND2-OG1 3.08Å
420	D	72.6	Confident	74.6	Confident	5 Å²	5	69.4 Å²	69.4	3%	0.027	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	103.6	169	-63.3	-64.7	0	0	0	108.1	T365 Y366 W396 C406 G407	T365-D420 WeakPolarHBondContact CA-O 3.42Å; Y366-D420 PolarHBondContact N-O 3.16Å; Y366-D420 PolarHBondContact O-N 3.39Å; W396-D420 HydrophobicContact CB-CB 4.35Å; C406-D420 VanDerWaalsContact CB-OD2 3.31Å; C406-D420 WeakPolarHBondContact CB-OD2 3.31Å; G407-D420 VanDerWaalsContact CA-OD1 3.32Å; G407-D420 WeakPolarHBondContact CA-OD1 3.24Å; G407-D420 PolarHBondContact N-OD1 2.72Å
421	T	82.6	Confident	76.3	Confident	64 Å²	64	65 Å²	65	39%	0.393	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.3	-179.7	-48.2	0	0	0	0	110.1	V364 T365 N419	V364-T421 WeakPolarHBondContact O-CA 3.33Å; T365-T421 HydrophobicContact CG2-CG2 4.48Å; T365-T421 WeakPolarHBondContact CG2-OG1 3.06Å; N419-T421 PolarHBondContact ND2-OG1 3.34Å; N419-T421 VanDerWaalsContact ND2-OG1 3.08Å
422	G	85.4	Confident	78	Confident	14 Å²	14	58 Å²	58	14%	0.144	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.5	-167.2	175.6	0	0	0	0	0	112.7	V364	V364-G422 WeakPolarHBondContact CG1-O 3.13Å; V364-G422 PolarHBondContact N-O 3.21Å; V364-G422 PolarHBondContact O-N 3.26Å
423	F	88.2	Confident	79.7	Confident	98 Å²	98	50.8 Å²	50.8	43%	0.43	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	137.6	-178	-67.4	-82.6	0	0	0	111.9	E361 Q362 E363	E361-F423 HydrophobicContact CB-CD1 4.14Å; E361-F423 HydrophobicContact CG-CD1 4.06Å; E361-F423 HydrophobicContact CG-CE1 4.46Å; Q362-F423 CarbonylContact O-C 3.58Å; Q362-F423 WeakPolarHBondContact O-CA 3.37Å; E363-F423 HydrophobicContact CB-CD1 4.2Å; E363-F423 HydrophobicContact CB-CE1 3.89Å; E363-F423 HydrophobicContact CG-CE1 4.42Å
424	L	90.1	Very high	81.5	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	117	161.9	-56.4	176.2	0	0	0	107.2	E361 Q362 V364 W385 Y395 L430 V432	E361-L424 CarbonylContact C-O 3.59Å; E361-L424 WeakPolarHBondContact CA-O 3.47Å; Q362-L424 PolarHBondContact N-O 2.84Å; Q362-L424 PolarHBondContact O-N 3.23Å; V364-L424 HydrophobicContact CB-CD1 4.21Å; V364-L424 HydrophobicContact CB-CG 4.25Å; V364-L424 HydrophobicContact CG1-CD1 4.12Å; V364-L424 HydrophobicContact CG1-CD2 3.94Å; V364-L424 HydrophobicContact CG1-CG 3.67Å; W385-L424 HydrophobicContact CD2-CD1 4.31Å; W385-L424 HydrophobicContact CH2-CD1 4.1Å; W385-L424 HydrophobicContact CZ2-CD1 3.64Å; W385-L424 HydrophobicContact CZ2-CD2 3.89Å; W385-L424 HydrophobicContact CZ2-CG 4.25Å; Y395-L424 HydrophobicContact CD2-CD2 4.07Å; Y395-L424 HydrophobicContact CE2-CD2 3.62Å; L424-L430 HydrophobicContact CB-CD2 3.9Å; L424-V432 HydrophobicContact CD1-CG2 3.5Å
425	S	88.5	Confident	82.9	Confident	47 Å²	47	48.8 Å²	48.8	33%	0.329	25%	0.254	S	S	.	.			trans	-127.7	2.5	-174.3	57.1	0	0	0	0	114.4	C360 K427	C360-S425 WeakPolarHBondContact O-CA 3.32Å; S425-K427 PolarHBondContact O-N 3.16Å
426	F	86.6	Confident	84.6	Confident	57 Å²	57	42.1 Å²	42.1	25%	0.25	22%	0.219	C	C	.	.			trans	-74.5	96.6	173.6	-67.4	-86.6	0	0	0	109.2	Y395 F400 P401 D428 H429 L430	Y395-F426 HydrophobicContact CE2-CD2 4.44Å; F400-F426 AromaticContact CD1-CZ 3.93Å; F400-F426 HydrophobicContact CD1-CZ 3.93Å; P401-F426 HydrophobicContact CG-CD1 4.01Å; P401-F426 HydrophobicContact CG-CD2 3.86Å; P401-F426 HydrophobicContact CG-CE1 3.88Å; P401-F426 HydrophobicContact CG-CE2 3.76Å; P401-F426 HydrophobicContact CG-CG 4.02Å; P401-F426 HydrophobicContact CG-CZ 3.77Å; F426-D428 PolarHBondContact O-N 3.32Å; F426-D428 VanDerWaalsContact O-N 3.14Å; F426-H429 HydrophobicContact CB-CB 4.34Å; F426-H429 WeakPolarHBondContact CB-ND1 3.37Å; F426-H429 PolarHBondContact O-N 3.38Å; F426-L430 PolarHBondContact O-N 3.39Å
427	K	86.8	Confident	85.9	Confident	31 Å²	31	34.7 Å²	34.7	14%	0.135	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-43.4	-49.5	179.5	-71.3	-178.4	59.7	173.7	0	111.9	I354 D355 S357 C360 R388 S425 H429 L430	I354-K427 HydrophobicContact CG2-CB 3.9Å; I354-K427 HydrophobicContact CG2-CG 4.15Å; I354-K427 WeakPolarHBondContact O-CE 3.4Å; I354-K427 PolarHBondContact O-NZ 3.14Å; D355-K427 PolarHBondContact O-NZ 3.08Å; S357-K427 PolarHBondContact O-NZ 3.17Å; C360-K427 HydrophobicContact CB-CG 4.21Å; R388-K427 PolarHBondContact NE-O 3.21Å; R388-K427 PolarHBondContact NH2-O 3.13Å; S425-K427 PolarHBondContact O-N 3.16Å; K427-H429 PolarHBondContact O-N 2.83Å; K427-L430 PolarHBondContact O-N 3.19Å
428	D	85.6	Confident	87.2	Confident	118 Å²	118	31.4 Å²	31.4	63%	0.631	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	-56.6	-22.9	-178.1	-59.3	-21	0	0	0	114.3	R388 F426	R388-D428 WeakPolarHBondContact CG-O 3.34Å; R388-D428 PolarHBondContact NE-O 3.44Å; R388-D428 IonicContact NH2-OD1 2.79Å; R388-D428 PolarHBondContact NH2-OD1 2.85Å; F426-D428 PolarHBondContact O-N 3.32Å; F426-D428 VanDerWaalsContact O-N 3.14Å
429	H	89.8	Confident	88.1	Confident	30 Å²	30	31.4 Å²	31.4	14%	0.139	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-98.3	-20.4	175.8	-52.2	154.7	0	0	0	113	W385 G387 H393 Y395 F426 K427	W385-H429 HydrophobicContact CH2-CB 3.57Å; W385-H429 HydrophobicContact CZ3-CB 4.15Å; W385-H429 WeakPolarHBondContact CZ3-O 3.15Å; G387-H429 WeakPolarHBondContact CA-O 3.22Å; H393-H429 AromaticContact CE1-CD2 3.24Å; H393-H429 PolarHBondContact CE1-CD2 2.76Å; H393-H429 AromaticContact CE1-CE1 3.94Å; H393-H429 AromaticContact CE1-CG 3.47Å; H393-H429 VanDerWaalsContact CE1-CG 3.47Å; H393-H429 AromaticContact CE1-ND1 3.9Å; H393-H429 AromaticContact CE1-NE2 3.58Å; H393-H429 AromaticContact NE2-CD2 3.57Å; H393-H429 AromaticContact NE2-CG 3.58Å; Y395-H429 AromaticContact CZ-ND1 3.82Å; Y395-H429 PolarHBondContact OH-ND1 2.96Å; F426-H429 HydrophobicContact CB-CB 4.34Å; F426-H429 WeakPolarHBondContact CB-ND1 3.37Å; F426-H429 PolarHBondContact O-N 3.38Å; K427-H429 PolarHBondContact O-N 2.83Å
430	L	92.3	Very high	88.7	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.147	C	C	.	.			trans	-80.3	156.7	-178.6	-67.2	176.9	0	0	0	112.2	I354 C360 Q362 R388 L424 F426 K427 L454	I354-L430 HydrophobicContact CD1-CB 4.26Å; C360-L430 HydrophobicContact CB-CD1 3.99Å; Q362-L430 HydrophobicContact CB-CD2 4.21Å; Q362-L430 HydrophobicContact CG-CD2 4.1Å; R388-L430 WeakPolarHBondContact CB-O 3.21Å; R388-L430 WeakPolarHBondContact CD-O 3.47Å; R388-L430 WeakPolarHBondContact CG-O 3.39Å; R388-L430 PolarHBondContact NE-O 2.96Å; L424-L430 HydrophobicContact CB-CD2 3.9Å; F426-L430 PolarHBondContact O-N 3.39Å; K427-L430 PolarHBondContact O-N 3.19Å; L430-L454 HydrophobicContact CB-CD1 4.35Å; L430-L454 HydrophobicContact CD1-CD1 4.35Å
431	P	95.3	Very high	89.3	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.172	C	C	.	.	S	Bend	cis	-80.7	163.8	-6.3	33.1	-28.4	0	0	0	111.6	Y343 M347 L350 I354 G387 T433 L454	Y343-P431 HydrophobicContact CE1-CB 4.29Å; Y343-P431 HydrophobicContact CE2-CB 4.04Å; Y343-P431 HydrophobicContact CE2-CG 4.29Å; M347-P431 HydrophobicContact CE-CG 4.33Å; L350-P431 HydrophobicContact CB-CG 4.44Å; L350-P431 HydrophobicContact CD1-CG 4.09Å; I354-P431 VanDerWaalsContact CD1-CD 3.48Å; I354-P431 HydrophobicContact CD1-CG 4.28Å; G387-P431 WeakPolarHBondContact CA-O 3.28Å; P431-T433 PolarHBondContact O-N 3.34Å; P431-L454 HydrophobicContact CB-CD1 4.27Å; P431-L454 HydrophobicContact CB-CD2 4.21Å
432	V	95.1	Very high	89.2	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.172	C	C	.	.			trans	-66.6	115.4	170.7	-177.6	0	0	0	0	108.9	L341 Y343 W385 L424 I435 I451	L341-V432 HydrophobicContact CD1-CB 4.27Å; L341-V432 HydrophobicContact CD1-CG1 4Å; Y343-V432 VanDerWaalsContact CE2-O 3.24Å; Y343-V432 WeakPolarHBondContact CE2-O 2.98Å; Y343-V432 PolarHBondContact OH-O 3.25Å; W385-V432 HydrophobicContact CB-CG1 4.06Å; W385-V432 HydrophobicContact CD2-CG1 4.47Å; W385-V432 HydrophobicContact CD2-CG2 4.18Å; W385-V432 HydrophobicContact CE3-CB 4.25Å; W385-V432 HydrophobicContact CE3-CG1 4.1Å; W385-V432 HydrophobicContact CE3-CG2 3.75Å; W385-V432 HydrophobicContact CG-CG1 4.49Å; W385-V432 HydrophobicContact CZ3-CG2 3.94Å; L424-V432 HydrophobicContact CD1-CG2 3.5Å; V432-I435 HydrophobicContact CG1-CG1 4.25Å; V432-I451 HydrophobicContact CB-CG2 4.36Å; V432-I451 HydrophobicContact CG1-CD1 4.39Å; V432-I451 HydrophobicContact CG1-CG1 4.44Å; V432-I451 HydrophobicContact CG2-CD1 4.4Å
433	T	94.9	Very high	88.9	Confident	27 Å²	27	38.7 Å²	38.7	17%	0.166	20%	0.202	C	C	.	.			trans	-101.5	-30.7	-177.8	55.3	0	0	0	0	112.6	L341 M347 T386 G387 P431	L341-T433 PolarHBondContact N-O 3.14Å; M347-T433 HydrophobicContact CE-CG2 3.88Å; M347-T433 HydrophobicContact SD-CG2 3.75Å; T386-T433 PolarHBondContact O-N 2.95Å; T386-T433 PolarHBondContact O-OG1 2.76Å; T386-T433 VanDerWaalsContact O-OG1 3.05Å; T386-T433 PolarHBondContact OG1-OG1 3.37Å; G387-T433 PolarHBondContact O-OG1 2.87Å; P431-T433 PolarHBondContact O-N 3.34Å
434	Q	95.1	Very high	88.4	Confident	53 Å²	53	38.9 Å²	38.9	25%	0.248	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	147.7	-179.6	-161.1	176.1	70.3	0	0	112.4	V338 M339 N340 W385 T386 I436	V338-Q434 HydrophobicContact CG1-CG 3.77Å; M339-Q434 CarbonylContact O-C 3.45Å; M339-Q434 VanDerWaalsContact O-CA 3.23Å; M339-Q434 WeakPolarHBondContact O-CA 3.2Å; M339-Q434 WeakPolarHBondContact O-CG 3.48Å; N340-Q434 WeakPolarHBondContact OD1-CG 3.5Å; N340-Q434 PolarHBondContact OD1-NE2 2.91Å; W385-Q434 CarbonylContact C-O 3.6Å; W385-Q434 WeakPolarHBondContact CA-O 3.37Å; W385-Q434 WeakPolarHBondContact CB-O 3.38Å; T386-Q434 PolarHBondContact N-O 3.04Å; T386-Q434 PolarHBondContact O-N 3.16Å; T386-Q434 WeakPolarHBondContact OG1-CB 3.44Å; Q434-I436 HydrophobicContact CB-CD1 4.14Å; Q434-I436 HydrophobicContact CG-CD1 3.77Å; Q434-I436 HydrophobicContact CG-CG1 4.33Å
435	I	92.7	Very high	87.9	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	134.5	168.7	-71.1	171.5	0	0	0	109.8	V338 M339 W385 W396 V432 I437 W449 I451	V338-I435 WeakPolarHBondContact CA-O 3.4Å; M339-I435 PolarHBondContact N-O 3.38Å; M339-I435 PolarHBondContact O-N 3.22Å; W385-I435 HydrophobicContact CB-CG1 4.2Å; W396-I435 HydrophobicContact CH2-CG1 4.43Å; W396-I435 HydrophobicContact CH2-CG2 4.2Å; V432-I435 HydrophobicContact CG1-CG1 4.25Å; I435-I437 HydrophobicContact CG2-CD1 3.93Å; I435-I437 HydrophobicContact CG2-CG1 4.14Å; I435-W449 HydrophobicContact CD1-CD2 3.56Å; I435-W449 HydrophobicContact CD1-CE3 3.21Å; I435-W449 HydrophobicContact CD1-CG 4.19Å; I435-W449 HydrophobicContact CD1-CH2 4.26Å; I435-W449 HydrophobicContact CD1-CZ3 3.59Å; I435-W449 HydrophobicContact CG2-CD2 4.42Å; I435-W449 HydrophobicContact CG2-CG 4.34Å; I435-I451 HydrophobicContact CD1-CD1 3.99Å; I435-I451 HydrophobicContact CD1-CG1 3.45Å; I435-I451 VanDerWaalsContact CD1-CG1 3.45Å
436	I	92.3	Very high	87.6	Confident	6 Å²	6	38.7 Å²	38.7	3%	0.031	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	128.2	179.5	-51.8	79.5	0	0	0	109.7	P336 Y337 V338 A383 W384 T386 Q434	P336-I436 HydrophobicContact CB-CG2 3.91Å; P336-I436 HydrophobicContact CG-CG2 4.48Å; Y337-I436 VanDerWaalsContact O-CA 3.3Å; Y337-I436 WeakPolarHBondContact O-CA 3.26Å; V338-I436 HydrophobicContact CG2-CG1 4.47Å; V338-I436 HydrophobicContact CG2-CG2 4.4Å; A383-I436 VanDerWaalsContact CA-O 3.27Å; A383-I436 WeakPolarHBondContact CA-O 3.49Å; W384-I436 HydrophobicContact CD2-CB 4.07Å; W384-I436 HydrophobicContact CD2-CG2 4.49Å; W384-I436 HydrophobicContact CE3-CB 4.46Å; W384-I436 HydrophobicContact CH2-CB 4.16Å; W384-I436 HydrophobicContact CH2-CG2 3.54Å; W384-I436 HydrophobicContact CZ2-CB 3.73Å; W384-I436 HydrophobicContact CZ2-CG1 4.03Å; W384-I436 HydrophobicContact CZ2-CG2 3.48Å; W384-I436 VanDerWaalsContact CZ2-CG2 3.48Å; W384-I436 HydrophobicContact CZ3-CB 4.49Å; W384-I436 HydrophobicContact CZ3-CG2 4.07Å; W384-I436 PolarHBondContact N-O 2.94Å; W384-I436 PolarHBondContact O-N 3.14Å; T386-I436 HydrophobicContact CG2-CD1 4.12Å; Q434-I436 HydrophobicContact CB-CD1 4.14Å; Q434-I436 HydrophobicContact CG-CD1 3.77Å; Q434-I436 HydrophobicContact CG-CG1 4.33Å
437	I	90.4	Very high	87.6	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	129	179.6	-65.1	163.1	0	0	0	109.5	I328 S331 Y337 Y366 A383 I435 T440 A447 W449	I328-I437 HydrophobicContact CD1-CB 4.24Å; I328-I437 HydrophobicContact CD1-CD1 3.29Å; I328-I437 HydrophobicContact CD1-CG1 4.32Å; I328-I437 HydrophobicContact CD1-CG2 4.47Å; S331-I437 PolarHBondContact OG-O 3.07Å; Y337-I437 WeakPolarHBondContact CB-O 3.26Å; Y337-I437 PolarHBondContact N-O 3.27Å; Y337-I437 PolarHBondContact O-N 2.77Å; Y366-I437 HydrophobicContact CE2-CD1 3.79Å; Y366-I437 HydrophobicContact CE2-CG1 4.25Å; A383-I437 HydrophobicContact CB-CG1 3.97Å; I435-I437 HydrophobicContact CG2-CD1 3.93Å; I435-I437 HydrophobicContact CG2-CG1 4.14Å; I437-T440 HydrophobicContact CG2-CG2 4.08Å; I437-A447 HydrophobicContact CG2-CB 4.23Å; I437-W449 HydrophobicContact CD1-CG 4.37Å
438	S	88.9	Confident	87.7	Confident	7 Å²	7	34.5 Å²	34.5	5%	0.049	18%	0.183	C	C	.	.			trans	-132.9	10.6	-168.3	63.1	0	0	0	0	116.2	S331 N332 T333 F382	S331-S438 CarbonylContact O-C 3.54Å; N332-S438 CarbonylContact C-O 3.53Å; N332-S438 WeakPolarHBondContact CA-O 3.37Å; T333-S438 PolarHBondContact N-O 3Å; F382-S438 WeakPolarHBondContact CA-OG 3.5Å; F382-S438 PolarHBondContact O-N 3.2Å; F382-S438 PolarHBondContact O-OG 2.58Å
439	D	84.5	Confident	87.9	Confident	15 Å²	15	28.9 Å²	28.9	8%	0.08	15%	0.153	C	C	.	.			trans	-130.8	48.9	-174.3	-175.4	33.5	0	0	0	114.2	S371 H372 F382 R442 S445	S371-D439 PolarHBondContact OG-O 2.89Å; H372-D439 WeakPolarHBondContact CB-OD2 3.2Å; H372-D439 IonicContact CG-OD2 3.56Å; H372-D439 PolarHBondContact N-OD2 3.21Å; F382-D439 HydrophobicContact CB-CB 3.78Å; F382-D439 HydrophobicContact CD1-CB 4.13Å; F382-D439 HydrophobicContact CD2-CB 4.4Å; F382-D439 HydrophobicContact CG-CB 3.88Å; D439-R442 IonicContact OD1-CZ 3.87Å; D439-R442 IonicContact OD1-NE 2.79Å; D439-R442 PolarHBondContact OD1-NE 3.2Å; D439-R442 IonicContact OD1-NH2 2.9Å; D439-R442 PolarHBondContact OD1-NH2 2.94Å; D439-R442 IonicContact OD2-CZ 2.94Å; D439-R442 IonicContact OD2-NE 3.51Å; D439-R442 IonicContact OD2-NH2 2.95Å; D439-R442 PolarHBondContact OD2-NH2 3.32Å; D439-S445 PolarHBondContact O-OG 2.79Å
440	T	84.8	Confident	88.1	Confident	4 Å²	4	32.7 Å²	32.7	3%	0.025	17%	0.166	C	C	.	.			trans	-117.8	12.4	177.9	64.2	0	0	0	0	113.8	I328 G330 S331 I437 A447	I328-T440 HydrophobicContact CG2-CG2 4.38Å; G330-T440 PolarHBondContact N-O 2.84Å; G330-T440 PolarHBondContact N-OG1 3.31Å; S331-T440 WeakPolarHBondContact CB-OG1 3.38Å; S331-T440 PolarHBondContact N-OG1 2.83Å; S331-T440 CarbonylContact O-C 3.52Å; S331-T440 PolarHBondContact O-N 3.23Å; I437-T440 HydrophobicContact CG2-CG2 4.08Å; T440-A447 HydrophobicContact CG2-CB 3.74Å
441	N	84.7	Confident	88.2	Confident	102 Å²	102	32.7 Å²	32.7	55%	0.545	17%	0.166	S	C	.	.			trans	-90.3	1.6	177.7	-163.8	31.5	0	0	0	113.9	S331 N332	S331-N441 WeakPolarHBondContact O-CB 3.21Å; S331-N441 PolarHBondContact O-N 2.87Å; N332-N441 HydrophobicContact CB-CB 4.05Å
442	R	80.5	Confident	88.1	Confident	106 Å²	106	33 Å²	33	40%	0.4	17%	0.169	S	C	.	.	S	Bend	trans	-87.9	153.1	177.3	-63.3	-171.4	-75	149.5	-0.9	111.1	R370 H372 D439 N444 S445	R370-R442 PolarHBondContact O-NH2 3.36Å; R370-R442 VanDerWaalsContact O-NH2 3.15Å; H372-R442 PolarHBondContact CD2-NH2 2.96Å; H372-R442 PolarHBondContact CE1-NH1 3.18Å; H372-R442 VanDerWaalsContact CE1-NH1 3.32Å; H372-R442 PolarHBondContact CE1-NH2 2.85Å; H372-R442 VanDerWaalsContact CE1-NH2 3.28Å; H372-R442 PolarHBondContact ND1-NH2 3.43Å; H372-R442 PolarHBondContact NE2-NH1 3Å; H372-R442 PolarHBondContact NE2-NH2 2.76Å; H372-R442 VanDerWaalsContact NE2-NH2 3.14Å; D439-R442 IonicContact OD1-CZ 3.87Å; D439-R442 IonicContact OD1-NE 2.79Å; D439-R442 PolarHBondContact OD1-NE 3.2Å; D439-R442 IonicContact OD1-NH2 2.9Å; D439-R442 PolarHBondContact OD1-NH2 2.94Å; D439-R442 IonicContact OD2-CZ 2.94Å; D439-R442 IonicContact OD2-NE 3.51Å; D439-R442 IonicContact OD2-NH2 2.95Å; D439-R442 PolarHBondContact OD2-NH2 3.32Å; R442-N444 PolarHBondContact O-N 3.09Å; R442-S445 WeakPolarHBondContact O-CB 3.16Å; R442-S445 PolarHBondContact O-N 2.79Å
443	S	79.6	Confident	88.2	Confident	110 Å²	110	34.2 Å²	34.2	77%	0.769	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	121.3	-179.5	-52.3	0	0	0	0	112	S445	S443-S445 PolarHBondContact O-N 2.85Å
444	N	77.1	Confident	88.2	Confident	102 Å²	102	33 Å²	33	55%	0.545	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	26	-175	-50.2	-41.5	0	0	0	114.3	R442	R442-N444 PolarHBondContact O-N 3.09Å
445	S	80.8	Confident	88.2	Confident	4 Å²	4	33.7 Å²	33.7	3%	0.028	17%	0.17	C	C	.	.			trans	-91.1	123.4	168.9	-173.3	0	0	0	0	110.5	R369 R370 S371 D439 R442 S443	R369-S445 VanDerWaalsContact O-CA 3.3Å; R369-S445 WeakPolarHBondContact O-CA 3.23Å; R370-S445 PolarHBondContact O-OG 3.29Å; S371-S445 WeakPolarHBondContact CA-OG 3.45Å; S371-S445 WeakPolarHBondContact CB-OG 3.33Å; S371-S445 PolarHBondContact N-OG 2.95Å; D439-S445 PolarHBondContact O-OG 2.79Å; R442-S445 WeakPolarHBondContact O-CB 3.16Å; R442-S445 PolarHBondContact O-N 2.79Å; S443-S445 PolarHBondContact O-N 2.85Å
446	E	81.8	Confident	88.2	Confident	40 Å²	40	33.7 Å²	33.7	19%	0.187	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	145	-179.3	-60.5	176	152.2	0	0	109.4	Q329 R369	Q329-E446 HydrophobicContact CG-CG 4.2Å; Q329-E446 PolarHBondContact NE2-OE1 2.79Å; R369-E446 HydrophobicContact CB-CB 4.39Å; R369-E446 PolarHBondContact N-O 2.92Å; R369-E446 IonicContact NH1-OE2 3.85Å; R369-E446 PolarHBondContact O-N 2.94Å
447	A	86.5	Confident	88.1	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	148.5	170.2	0	0	0	0	0	109.9	I328 Y366 Y367 I437 T440	I328-A447 PolarHBondContact N-O 2.85Å; I328-A447 PolarHBondContact O-N 3.3Å; Y366-A447 HydrophobicContact CE2-CB 4.15Å; Y367-A447 CarbonylContact O-C 3.56Å; Y367-A447 VanDerWaalsContact O-CA 3.23Å; Y367-A447 WeakPolarHBondContact O-CA 3.39Å; I437-A447 HydrophobicContact CG2-CB 4.23Å; T440-A447 HydrophobicContact CG2-CB 3.74Å
448	A	88.7	Confident	87.4	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	152.1	167.4	0	0	0	0	0	110.2	L325 T326 W327 Y367	L325-A448 HydrophobicContact CD1-CB 3.93Å; L325-A448 HydrophobicContact CG-CB 4.28Å; T326-A448 CarbonylContact O-C 3.07Å; T326-A448 WeakPolarHBondContact O-CA 3.04Å; T326-A448 WeakPolarHBondContact O-CB 3.3Å; W327-A448 HydrophobicContact CD2-CB 3.75Å; W327-A448 HydrophobicContact CE3-CB 3.82Å; W327-A448 HydrophobicContact CG-CB 4.14Å; W327-A448 HydrophobicContact CH2-CB 4.49Å; W327-A448 HydrophobicContact CZ2-CB 4.45Å; W327-A448 HydrophobicContact CZ3-CB 4.2Å; Y367-A448 HydrophobicContact CD2-CB 4.2Å; Y367-A448 HydrophobicContact CG-CB 4.47Å; Y367-A448 PolarHBondContact N-O 2.85Å; Y367-A448 PolarHBondContact O-N 2.85Å
449	W	90.7	Very high	86.3	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	154.8	179.8	65.4	-87.8	0	0	0	111.4	N322 T326 I328 Y337 M339 L341 T365 Y366 I435 I437 I451	N322-W449 WeakPolarHBondContact ND2-CH2 3.4Å; T326-W449 HydrophobicContact CG2-CZ2 4.26Å; T326-W449 PolarHBondContact N-O 2.83Å; T326-W449 PolarHBondContact O-N 3.47Å; I328-W449 VanDerWaalsContact CD1-CD1 3.42Å; Y337-W449 HydrophobicContact CE1-CZ2 4.39Å; Y337-W449 AromaticContact CE1-NE1 3.41Å; Y337-W449 AromaticContact CZ-NE1 3.84Å; M339-W449 HydrophobicContact CB-CH2 4.28Å; M339-W449 HydrophobicContact CB-CZ2 3.77Å; M339-W449 HydrophobicContact CG-CH2 3.65Å; M339-W449 HydrophobicContact CG-CZ2 3.54Å; L341-W449 HydrophobicContact CD2-CH2 4.08Å; L341-W449 HydrophobicContact CD2-CZ3 4.35Å; T365-W449 CarbonylContact O-C 3.51Å; T365-W449 VanDerWaalsContact O-CA 3.25Å; T365-W449 WeakPolarHBondContact O-CA 3.39Å; Y366-W449 HydrophobicContact CD2-CB 4.25Å; I435-W449 HydrophobicContact CD1-CD2 3.56Å; I435-W449 HydrophobicContact CD1-CE3 3.21Å; I435-W449 HydrophobicContact CD1-CG 4.19Å; I435-W449 HydrophobicContact CD1-CH2 4.26Å; I435-W449 HydrophobicContact CD1-CZ3 3.59Å; I435-W449 HydrophobicContact CG2-CD2 4.42Å; I435-W449 HydrophobicContact CG2-CG 4.34Å; I437-W449 HydrophobicContact CD1-CG 4.37Å; W449-I451 HydrophobicContact CE3-CG1 3.95Å; W449-I451 HydrophobicContact CZ3-CB 4.35Å; W449-I451 HydrophobicContact CZ3-CG1 4Å
450	R	93	Very high	85.1	Confident	110 Å²	110	37.9 Å²	37.9	42%	0.415	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	135.2	172.3	-172.8	-178.7	-178.9	-154.2	-4.3	109.4	T323 L325 V364 T365	T323-R450 PolarHBondContact O-NE 3.11Å; L325-R450 HydrophobicContact CD1-CB 4.12Å; V364-R450 WeakPolarHBondContact CA-O 3.3Å; T365-R450 PolarHBondContact N-O 2.87Å; T365-R450 PolarHBondContact O-N 2.9Å
451	I	94.5	Very high	84.3	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	131	171.4	-61	-65.8	0	0	0	108.3	H320 L341 V364 V432 I435 W449	H320-I451 PolarHBondContact CE1-O 2.83Å; H320-I451 VanDerWaalsContact CE1-O 3.26Å; H320-I451 PolarHBondContact NE2-O 2.91Å; L341-I451 HydrophobicContact CD1-CB 3.98Å; L341-I451 HydrophobicContact CD1-CG1 4.06Å; L341-I451 HydrophobicContact CD1-CG2 3.88Å; V364-I451 HydrophobicContact CB-CD1 3.77Å; V364-I451 HydrophobicContact CG2-CD1 3.42Å; V364-I451 VanDerWaalsContact CG2-CD1 3.42Å; V432-I451 HydrophobicContact CB-CG2 4.36Å; V432-I451 HydrophobicContact CG1-CD1 4.39Å; V432-I451 HydrophobicContact CG1-CG1 4.44Å; V432-I451 HydrophobicContact CG2-CD1 4.4Å; I435-I451 HydrophobicContact CD1-CD1 3.99Å; I435-I451 HydrophobicContact CD1-CG1 3.45Å; I435-I451 VanDerWaalsContact CD1-CG1 3.45Å; W449-I451 HydrophobicContact CE3-CG1 3.95Å; W449-I451 HydrophobicContact CZ3-CB 4.35Å; W449-I451 HydrophobicContact CZ3-CG1 4Å
452	G	94.4	Very high	83.8	Confident	6 Å²	6	38.9 Å²	38.9	6%	0.062	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-82.9	166.3	171.7	0	0	0	0	0	112.1	H320 Q362 E363	H320-G452 PolarHBondContact NE2-O 2.93Å; Q362-G452 PolarHBondContact NE2-O 2.86Å; E363-G452 PolarHBondContact O-N 3.3Å
453	P	95.6	Very high	84	Confident	27 Å²	27	37.6 Å²	37.6	18%	0.175	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-60.6	156.5	179.4	29.1	-36.7	0	0	0	111.9	T317 V318 R455	T317-P453 HydrophobicContact CG2-CB 3.56Å; T317-P453 HydrophobicContact CG2-CG 3.62Å; V318-P453 WeakPolarHBondContact O-CA 3.28Å; V318-P453 VanDerWaalsContact O-CB 3.29Å; V318-P453 WeakPolarHBondContact O-CB 3.49Å; P453-R455 HydrophobicContact CG-CG 4.27Å; P453-R455 PolarHBondContact O-N 3.45Å
454	L	96	Very high	84.5	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	120.5	168.4	176.5	69	0	0	0	108.5	T317 V318 Y343 L350 L353 I354 C360 Q362 L430 P431	T317-L454 CarbonylContact C-O 3.58Å; T317-L454 WeakPolarHBondContact CA-O 3.4Å; V318-L454 HydrophobicContact CB-CB 4.3Å; V318-L454 HydrophobicContact CG2-CD2 4.46Å; V318-L454 PolarHBondContact N-O 2.94Å; V318-L454 PolarHBondContact O-N 2.88Å; Y343-L454 HydrophobicContact CD1-CB 4.4Å; Y343-L454 HydrophobicContact CE1-CB 4.01Å; L350-L454 HydrophobicContact CD2-CD2 4.42Å; L353-L454 HydrophobicContact CD2-CD2 4.32Å; I354-L454 HydrophobicContact CD1-CD1 4.29Å; I354-L454 HydrophobicContact CD1-CD2 3.89Å; I354-L454 HydrophobicContact CG1-CD1 4.32Å; I354-L454 HydrophobicContact CG1-CD2 3.86Å; C360-L454 HydrophobicContact CB-CD1 4.4Å; Q362-L454 HydrophobicContact CG-CB 4.28Å; Q362-L454 HydrophobicContact CG-CD1 4.08Å; L430-L454 HydrophobicContact CB-CD1 4.35Å; L430-L454 HydrophobicContact CD1-CD1 4.35Å; P431-L454 HydrophobicContact CB-CD1 4.27Å; P431-L454 HydrophobicContact CB-CD2 4.21Å
455	R	94.9	Very high	85.1	Confident	69 Å²	69	33.2 Å²	33.2	26%	0.26	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	117.7	179.7	-66	-178.1	69.3	-150.4	-0.2	109.2	W315 M316 T317 C360 E361 P453	W315-R455 VanDerWaalsContact CD2-NH2 3.3Å; W315-R455 VanDerWaalsContact CE2-NH2 3.27Å; W315-R455 HydrophobicContact CE3-CB 3.61Å; W315-R455 HydrophobicContact CZ3-CB 3.61Å; M316-R455 WeakPolarHBondContact O-CA 3.19Å; T317-R455 HydrophobicContact CG2-CG 4Å; C360-R455 CarbonylContact C-O 3.46Å; C360-R455 VanDerWaalsContact CA-O 3.26Å; C360-R455 WeakPolarHBondContact CA-O 3.5Å; E361-R455 HydrophobicContact CG-CB 4.22Å; E361-R455 PolarHBondContact N-O 3.2Å; E361-R455 PolarHBondContact O-N 3.45Å; E361-R455 IonicContact OE1-NH1 3.2Å; P453-R455 HydrophobicContact CG-CG 4.27Å; P453-R455 PolarHBondContact O-N 3.45Å
456	C	93.3	Very high	85.7	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	148.1	175.5	-61.4	0	0	0	0	110.5	W315 M316 L353 S357 H359 C360	W315-C456 CarbonylContact C-O 3.22Å; W315-C456 WeakPolarHBondContact CA-O 3.42Å; M316-C456 PolarHBondContact N-O 2.88Å; M316-C456 PolarHBondContact O-N 2.92Å; L353-C456 HydrophobicContact CD2-CB 3.86Å; L353-C456 VanDerWaalsContact CD2-SG 3.53Å; S357-C456 WeakPolarHBondContact OG-CB 3.34Å; H359-C456 CarbonylContact O-C 3.57Å; H359-C456 WeakPolarHBondContact O-CA 3.5Å; C360-C456 HydrophobicContact CB-CB 4.14Å; C360-C456 WeakPolarHBondContact CB-SG 3.44Å; C360-C456 WeakPolarHBondContact SG-CB 3.47Å; C360-C456 CovalentContact SG-SG 2.04Å; C360-C456 PolarHBondContact SG-SG 2.97Å
457	Y	89.4	Confident	86	Confident	32 Å²	32	36.5 Å²	36.5	13%	0.125	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	171.4	172.4	73.3	-90.9	0	0	0	110.3	K313 I314 W315 E358 H359	K313-Y457 HydrophobicContact CB-CD2 4.06Å; K313-Y457 HydrophobicContact CB-CG 4.16Å; K313-Y457 HydrophobicContact CD-CD1 4.04Å; K313-Y457 HydrophobicContact CD-CD2 3.84Å; K313-Y457 HydrophobicContact CD-CE1 3.71Å; K313-Y457 HydrophobicContact CD-CE2 3.6Å; K313-Y457 HydrophobicContact CD-CG 4.08Å; K313-Y457 VanDerWaalsContact CE-CZ 3.45Å; K313-Y457 WeakPolarHBondContact CE-OH 3.24Å; K313-Y457 HydrophobicContact CG-CD2 3.72Å; K313-Y457 HydrophobicContact CG-CE2 3.79Å; K313-Y457 HydrophobicContact CG-CG 4.19Å; K313-Y457 VanDerWaalsContact NZ-CZ 3.33Å; K313-Y457 PolarHBondContact NZ-OH 2.94Å; I314-Y457 WeakPolarHBondContact O-CA 3.48Å; I314-Y457 WeakPolarHBondContact O-CB 3.43Å; W315-Y457 AromaticContact CD2-CD1 3.94Å; W315-Y457 HydrophobicContact CD2-CD1 3.94Å; W315-Y457 HydrophobicContact CD2-CG 4.38Å; W315-Y457 AromaticContact CE2-CD1 3.81Å; W315-Y457 AromaticContact CE3-CD1 3.63Å; W315-Y457 HydrophobicContact CE3-CD1 3.63Å; W315-Y457 HydrophobicContact CE3-CG 4.3Å; W315-Y457 AromaticContact CH2-CD1 3.22Å; W315-Y457 HydrophobicContact CH2-CD1 3.22Å; W315-Y457 AromaticContact CH2-CE1 3.35Å; W315-Y457 HydrophobicContact CH2-CE1 3.35Å; W315-Y457 HydrophobicContact CH2-CG 4.42Å; W315-Y457 AromaticContact CZ2-CD1 3.47Å; W315-Y457 HydrophobicContact CZ2-CD1 3.47Å; W315-Y457 VanDerWaalsContact CZ2-CD1 3.47Å; W315-Y457 AromaticContact CZ2-CE1 3.61Å; W315-Y457 HydrophobicContact CZ2-CE1 3.61Å; W315-Y457 HydrophobicContact CZ2-CG 4.4Å; W315-Y457 AromaticContact CZ3-CD1 3.31Å; W315-Y457 HydrophobicContact CZ3-CD1 3.31Å; W315-Y457 AromaticContact CZ3-CE1 3.9Å; W315-Y457 HydrophobicContact CZ3-CE1 3.9Å; W315-Y457 HydrophobicContact CZ3-CG 4.37Å; E358-Y457 PolarHBondContact N-O 3.35Å; H359-Y457 HydrophobicContact CB-CD1 4.14Å; H359-Y457 HydrophobicContact CB-CE1 3.67Å; H359-Y457 HydrophobicContact CB-CE2 4.25Å; H359-Y457 AromaticContact CD2-CD1 3.92Å; H359-Y457 AromaticContact CD2-CE1 3.27Å; H359-Y457 WeakPolarHBondContact CD2-CE1 3.47Å; H359-Y457 AromaticContact CD2-CZ 3.99Å; H359-Y457 AromaticContact CG-CE1 3.7Å; H359-Y457 AromaticContact CG-CZ 3.98Å; H359-Y457 PolarHBondContact N-O 3.27Å; H359-Y457 VanDerWaalsContact N-O 3.08Å; H359-Y457 PolarHBondContact O-N 2.85Å
458	G	76.6	Confident	86	Confident	13 Å²	13	37.8 Å²	37.8	13%	0.134	21%	0.205	C	C	.	.			trans	88.1	122.5	178.7	0	0	0	0	0	108.6	E358	E358-G458 PolarHBondContact N-O 3.16Å
459	D	64.1	Low	85.9	Confident	45 Å²	45	41.6 Å²	41.6	24%	0.241	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-67.6	163.8	163.3	-90.6	4.5	0	0	0	109.1	S276 E278	S276-D459 WeakPolarHBondContact CB-OD1 3.33Å; S276-D459 PolarHBondContact OG-OD1 3.15Å; E278-D459 WeakPolarHBondContact CB-OD2 3.29Å; E278-D459 WeakPolarHBondContact CG-OD2 3.3Å
460	P	59.9	Low	85.5	Confident	26 Å²	26	42.6 Å²	42.6	17%	0.169	23%	0.232	C	C	.	.	S	Bend	trans	-62.2	161.9	178.5	-15.1	26.9	0	0	0	112.6	S462 P484 N486	P460-S462 PolarHBondContact O-N 2.95Å; P460-S462 VanDerWaalsContact O-N 3.09Å; P460-P484 HydrophobicContact CB-CB 4.48Å; P460-N486 HydrophobicContact CB-CB 3.79Å; P460-N486 WeakPolarHBondContact CB-ND2 3.44Å; P460-N486 WeakPolarHBondContact CB-OD1 3.48Å; P460-N486 VanDerWaalsContact CG-CG 3.4Å; P460-N486 WeakPolarHBondContact CG-ND2 3.37Å; P460-N486 WeakPolarHBondContact CG-OD1 3.07Å
461	P	67.4	Low	84.7	Confident	87 Å²	87	40.2 Å²	40.2	57%	0.565	24%	0.241	S	C	*	.	P	Polyproline II helix	trans	-56.8	120	-170.3	23.6	-34.5	0	0	0	111.9	L485 N486	P461-L485 WeakPolarHBondContact O-CA 3.26Å; P461-L485 WeakPolarHBondContact O-CB 3.34Å; P461-L485 PolarHBondContact O-N 2.84Å; P461-N486 HydrophobicContact CG-CB 4.41Å
462	S	76.1	Confident	84	Confident	39 Å²	39	43.9 Å²	43.9	27%	0.273	26%	0.261	S	S	.	.			trans	-103.3	6.6	169.9	59.7	0	0	0	0	112.2	P460 S481	P460-S462 PolarHBondContact O-N 2.95Å; P460-S462 VanDerWaalsContact O-N 3.09Å; S462-S481 VanDerWaalsContact O-CB 3.28Å; S462-S481 WeakPolarHBondContact O-CB 3.35Å; S462-S481 PolarHBondContact O-N 3.1Å
463	E	83.5	Confident	83.3	Confident	80 Å²	80	44.9 Å²	44.9	37%	0.374	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	139.2	-173	-66.6	179.3	-178.1	0	0	110.9	Q480	E463-Q480 HydrophobicContact CG-CB 4.38Å; E463-Q480 HydrophobicContact CG-CG 3.96Å; E463-Q480 PolarHBondContact OE1-NE2 3.27Å
464	V	89.4	Confident	82.7	Confident	26 Å²	26	48.9 Å²	48.9	16%	0.158	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	129.3	169.3	-176.9	0	0	0	0	108.3	L478 V479 L485 I493 L504 V506	V464-L478 WeakPolarHBondContact O-CA 3.31Å; V464-V479 PolarHBondContact N-O 3.46Å; V464-V479 VanDerWaalsContact N-O 3.07Å; V464-V479 PolarHBondContact O-N 2.82Å; V464-L485 HydrophobicContact CG2-CD1 3.51Å; V464-I493 HydrophobicContact CG1-CD1 4.26Å; V464-I493 HydrophobicContact CG1-CG2 4.28Å; V464-I493 HydrophobicContact CG2-CD1 4.36Å; V464-L504 HydrophobicContact CG1-CD1 4.31Å; V464-L504 HydrophobicContact CG1-CD2 4.32Å; V464-L504 WeakPolarHBondContact O-CD2 3.49Å; V464-V506 HydrophobicContact CB-CG2 3.77Å; V464-V506 HydrophobicContact CG1-CG2 4.16Å; V464-V506 HydrophobicContact CG2-CG1 4.18Å; V464-V506 HydrophobicContact CG2-CG2 3.77Å
465	I	90.8	Very high	82.1	Confident	93 Å²	93	50.2 Å²	50.2	48%	0.477	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.6	-179.8	-56.8	174.2	0	0	0	109.3	E476 L477 L478	I465-E476 HydrophobicContact CG2-CB 4.08Å; I465-E476 HydrophobicContact CG2-CG 4.28Å; I465-L477 CarbonylContact C-O 3.59Å; I465-L477 WeakPolarHBondContact CA-O 3.45Å; I465-L478 HydrophobicContact CD1-CD1 4.4Å; I465-L478 HydrophobicContact CG1-CD1 4.18Å; I465-L478 HydrophobicContact CG1-CG 4.42Å
466	F	92.7	Very high	81.8	Confident	52 Å²	52	52.9 Å²	52.9	23%	0.228	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	107.5	168.9	178.4	-139.4	0	0	0	109.6	E476 L477 A495 T502 L504	F466-E476 CarbonylContact O-C 3.58Å; F466-E476 WeakPolarHBondContact O-CA 3.39Å; F466-L477 HydrophobicContact CD1-CD1 4.34Å; F466-L477 PolarHBondContact N-O 3.21Å; F466-L477 PolarHBondContact O-N 2.67Å; F466-A495 HydrophobicContact CD1-CB 3.92Å; F466-A495 HydrophobicContact CD2-CB 4.04Å; F466-A495 HydrophobicContact CE1-CB 4.02Å; F466-A495 HydrophobicContact CE2-CB 4.17Å; F466-A495 HydrophobicContact CG-CB 3.93Å; F466-A495 HydrophobicContact CZ-CB 4.16Å; F466-T502 HydrophobicContact CD1-CG2 3.95Å; F466-T502 HydrophobicContact CE1-CG2 3.56Å; F466-L504 HydrophobicContact CB-CB 4.33Å; F466-L504 HydrophobicContact CB-CD1 4.09Å; F466-L504 HydrophobicContact CB-CD2 3.94Å; F466-L504 HydrophobicContact CB-CG 4.34Å
467	A	89.2	Confident	81.6	Confident	62 Å²	62	53.1 Å²	53.1	51%	0.512	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	133.4	-179.2	0	0	0	0	0	111.4	M475 E476	A467-M475 CarbonylContact C-O 3.57Å; A467-M475 WeakPolarHBondContact CA-O 3.25Å; A467-E476 HydrophobicContact CB-CG 3.91Å
468	I	86.9	Confident	81.7	Confident	26 Å²	26	55.1 Å²	55.1	13%	0.133	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	142.8	178.9	-169.4	173	0	0	0	110.7	V470 M475 L524	I468-V470 HydrophobicContact CD1-CG1 3.96Å; I468-V470 HydrophobicContact CG1-CG1 4.03Å; I468-M475 HydrophobicContact CG2-CB 4.43Å; I468-M475 PolarHBondContact N-O 2.97Å; I468-M475 PolarHBondContact O-N 3.34Å; I468-L524 HydrophobicContact CD1-CD2 4.23Å; I468-L524 HydrophobicContact CG1-CD2 4.5Å
469	D	84.9	Confident	82.5	Confident	81 Å²	81	54.9 Å²	54.9	43%	0.433	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.9	169.4	-171.2	-20.4	0	0	0	108.7	G471 G473 L524	D469-G471 PolarHBondContact OD1-N 2.97Å; D469-G473 VanDerWaalsContact CG-C 3.43Å; D469-G473 PolarHBondContact OD1-N 3.33Å; D469-L524 WeakPolarHBondContact O-CD1 3.37Å
470	V	82.6	Confident	83.5	Confident	21 Å²	21	58.8 Å²	58.8	13%	0.127	35%	0.345	C	S	.	.	S	Bend	trans	-114.6	18.1	-177.9	-56	0	0	0	0	112.5	I468 N472 H521 L524	I468-V470 HydrophobicContact CD1-CG1 3.96Å; I468-V470 HydrophobicContact CG1-CG1 4.03Å; V470-N472 WeakPolarHBondContact CG2-OD1 3.23Å; V470-H521 WeakPolarHBondContact O-CB 3.28Å; V470-H521 PolarHBondContact O-CD2 3.18Å; V470-H521 PolarHBondContact O-N 3.17Å; V470-L524 HydrophobicContact CG1-CD1 4.16Å
471	G	77.3	Confident	84.7	Confident	60 Å²	60	58.2 Å²	58.2	62%	0.619	34%	0.342	S	S	*	.	S	Bend	trans	101.5	-4.5	177.2	0	0	0	0	0	115	D469	D469-G471 PolarHBondContact OD1-N 2.97Å
472	N	79.8	Confident	84.9	Confident	77 Å²	77	58.5 Å²	58.5	41%	0.412	34%	0.344	S	S	.	.	S	Bend	trans	-110.2	15	174.4	65.3	-23.5	0	0	0	112.8	V470	V470-N472 WeakPolarHBondContact CG2-OD1 3.23Å
473	G	79.8	Confident	84.6	Confident	26 Å²	26	65.1 Å²	65.1	27%	0.268	36%	0.364	S	S	.	.			trans	104.8	168.1	179.7	0	0	0	0	0	113.3	D469	D469-G473 VanDerWaalsContact CG-C 3.43Å; D469-G473 PolarHBondContact OD1-N 3.33Å
474	P	81.3	Confident	84.1	Confident	112 Å²	112	63.6 Å²	63.6	73%	0.727	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	135	-177.3	28.2	-34.3	0	0	0	111.3
475	M	83.2	Confident	83.5	Confident	28 Å²	28	63.6 Å²	63.6	14%	0.138	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	134.6	176.4	164.4	166.9	150	0	0	109.6	A467 I468 L477 T502 R514	A467-M475 CarbonylContact C-O 3.57Å; A467-M475 WeakPolarHBondContact CA-O 3.25Å; I468-M475 HydrophobicContact CG2-CB 4.43Å; I468-M475 PolarHBondContact N-O 2.97Å; I468-M475 PolarHBondContact O-N 3.34Å; M475-L477 HydrophobicContact CE-CD1 3.47Å; M475-L477 VanDerWaalsContact CE-CD1 3.47Å; M475-L477 HydrophobicContact CE-CG 4.41Å; M475-L477 HydrophobicContact CG-CD1 4.43Å; M475-T502 HydrophobicContact CE-CG2 4.17Å; M475-R514 HydrophobicContact CE-CB 3.49Å; M475-R514 VanDerWaalsContact CE-CB 3.49Å; M475-R514 VanDerWaalsContact CE-CD 3.48Å; M475-R514 HydrophobicContact CE-CG 3.51Å; M475-R514 VanDerWaalsContact SD-CD 3.55Å; M475-R514 HydrophobicContact SD-CG 3.99Å
476	E	88.9	Confident	82.4	Confident	125 Å²	125	63 Å²	63	58%	0.584	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.7	138.5	179.6	-61.9	-176.8	164.3	0	0	110.4	I465 F466 A467	I465-E476 HydrophobicContact CG2-CB 4.08Å; I465-E476 HydrophobicContact CG2-CG 4.28Å; F466-E476 CarbonylContact O-C 3.58Å; F466-E476 WeakPolarHBondContact O-CA 3.39Å; A467-E476 HydrophobicContact CB-CG 3.91Å
477	L	90.8	Very high	80.9	Confident	4 Å²	4	63.9 Å²	63.9	2%	0.021	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	136.2	164.8	-69.1	85.9	0	0	0	108.4	I465 F466 M475 T502 L504 S512 R514	I465-L477 CarbonylContact C-O 3.59Å; I465-L477 WeakPolarHBondContact CA-O 3.45Å; F466-L477 HydrophobicContact CD1-CD1 4.34Å; F466-L477 PolarHBondContact N-O 3.21Å; F466-L477 PolarHBondContact O-N 2.67Å; M475-L477 HydrophobicContact CE-CD1 3.47Å; M475-L477 VanDerWaalsContact CE-CD1 3.47Å; M475-L477 HydrophobicContact CE-CG 4.41Å; M475-L477 HydrophobicContact CG-CD1 4.43Å; L477-T502 HydrophobicContact CD1-CG2 3.58Å; L477-T502 HydrophobicContact CD2-CG2 4.34Å; L477-T502 WeakPolarHBondContact CD2-O 3.47Å; L477-L504 HydrophobicContact CB-CB 4.07Å; L477-L504 HydrophobicContact CB-CD2 4.39Å; L477-L504 HydrophobicContact CD2-CB 4.38Å; L477-L504 WeakPolarHBondContact O-CD2 3.49Å; L477-S512 WeakPolarHBondContact CD2-O 3.12Å; L477-R514 HydrophobicContact CD2-CB 4.45Å
478	L	91.4	Very high	79.5	Confident	74 Å²	74	65.3 Å²	65.3	39%	0.387	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	136.1	-179.4	-176.1	148.7	0	0	0	109.7	V464 I465 Q480 S512	V464-L478 WeakPolarHBondContact O-CA 3.31Å; I465-L478 HydrophobicContact CD1-CD1 4.4Å; I465-L478 HydrophobicContact CG1-CD1 4.18Å; I465-L478 HydrophobicContact CG1-CG 4.42Å; L478-Q480 HydrophobicContact CD2-CB 3.95Å; L478-S512 VanDerWaalsContact O-CB 3.24Å; L478-S512 WeakPolarHBondContact O-CB 3.49Å; L478-S512 PolarHBondContact O-OG 3.46Å
479	V	91.9	Very high	78.6	Confident	8 Å²	8	68.6 Å²	68.6	5%	0.048	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	119.3	165.6	174.1	0	0	0	0	107.7	V464 L504 V506 L509	V464-V479 PolarHBondContact N-O 3.46Å; V464-V479 VanDerWaalsContact N-O 3.07Å; V464-V479 PolarHBondContact O-N 2.82Å; V479-L504 HydrophobicContact CB-CD2 4.31Å; V479-L504 HydrophobicContact CG2-CB 4.26Å; V479-L504 HydrophobicContact CG2-CD2 3.87Å; V479-L504 HydrophobicContact CG2-CG 3.76Å; V479-V506 HydrophobicContact CB-CB 4.45Å; V479-V506 HydrophobicContact CB-CG2 3.85Å; V479-V506 HydrophobicContact CG1-CB 3.91Å; V479-V506 HydrophobicContact CG1-CG2 3.87Å; V479-V506 HydrophobicContact CG2-CG2 4.26Å; V479-L509 HydrophobicContact CG1-CB 4.14Å; V479-L509 HydrophobicContact CG1-CD1 3.99Å
480	Q	86.3	Confident	78.3	Confident	127 Å²	127	69.8 Å²	69.8	59%	0.593	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	123	177.9	-164.9	166.6	35.1	0	0	109.6	E463 L478	E463-Q480 HydrophobicContact CG-CB 4.38Å; E463-Q480 HydrophobicContact CG-CG 3.96Å; E463-Q480 PolarHBondContact OE1-NE2 3.27Å; L478-Q480 HydrophobicContact CD2-CB 3.95Å
481	S	83.8	Confident	78.5	Confident	14 Å²	14	71.1 Å²	71.1	10%	0.098	38%	0.382	C	S	.	.			trans	-87.8	139.9	175.8	179.8	0	0	0	0	110.4	S462 Y483	S462-S481 VanDerWaalsContact O-CB 3.28Å; S462-S481 WeakPolarHBondContact O-CB 3.35Å; S462-S481 PolarHBondContact O-N 3.1Å; S481-Y483 WeakPolarHBondContact CB-O 3.05Å; S481-Y483 PolarHBondContact O-N 2.92Å; S481-Y483 PolarHBondContact OG-N 2.85Å; S481-Y483 PolarHBondContact OG-O 3.35Å
482	P	71.9	Confident	79.2	Confident	94 Å²	94	74.7 Å²	74.7	61%	0.61	38%	0.378	S	S	*	.	S	Bend	trans	-69.8	-10	172.7	28.6	-33.3	0	0	0	113.5	L509	P482-L509 HydrophobicContact CG-CD2 4.38Å
483	Y	71	Confident	79.9	Confident	177 Å²	177	75.5 Å²	75.5	69%	0.694	38%	0.381	S	S	*	.	S	Bend	trans	-130.7	149.7	177.4	-51.9	-73.7	0	0	0	110.2	S481	S481-Y483 WeakPolarHBondContact CB-O 3.05Å; S481-Y483 PolarHBondContact O-N 2.92Å; S481-Y483 PolarHBondContact OG-N 2.85Å; S481-Y483 PolarHBondContact OG-O 3.35Å
484	P	72.7	Confident	80.6	Confident	49 Å²	49	77 Å²	77	32%	0.318	38%	0.381	S	S	.	.			trans	-54.6	138.4	173.8	-24.1	33.9	0	0	0	111.8	P460	P460-P484 HydrophobicContact CB-CB 4.48Å
485	L	76.6	Confident	81.1	Confident	26 Å²	26	74.2 Å²	74.2	14%	0.136	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	4.6	-177.3	-62.5	171.7	0	0	0	113.1	P461 V464 D487 H491 V506	P461-L485 WeakPolarHBondContact O-CA 3.26Å; P461-L485 WeakPolarHBondContact O-CB 3.34Å; P461-L485 PolarHBondContact O-N 2.84Å; V464-L485 HydrophobicContact CG2-CD1 3.51Å; L485-D487 VanDerWaalsContact C-N 3.3Å; L485-H491 WeakPolarHBondContact CA-NE2 3.19Å; L485-H491 PolarHBondContact O-CD2 3.05Å; L485-H491 PolarHBondContact O-NE2 2.79Å; L485-V506 HydrophobicContact CD1-CG1 4.44Å; L485-V506 HydrophobicContact CD2-CG1 4.49Å
486	N	67.8	Low	81.5	Confident	80 Å²	80	77 Å²	77	43%	0.428	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	20.9	170.9	83.2	-42.2	0	0	0	111.6	P460 P461 N488	P460-N486 HydrophobicContact CB-CB 3.79Å; P460-N486 WeakPolarHBondContact CB-ND2 3.44Å; P460-N486 WeakPolarHBondContact CB-OD1 3.48Å; P460-N486 VanDerWaalsContact CG-CG 3.4Å; P460-N486 WeakPolarHBondContact CG-ND2 3.37Å; P460-N486 WeakPolarHBondContact CG-OD1 3.07Å; P461-N486 HydrophobicContact CG-CB 4.41Å; N486-N488 PolarHBondContact O-N 2.87Å
487	D	61.5	Low	81.4	Confident	70 Å²	70	74.6 Å²	74.6	37%	0.374	37%	0.366	S	S	.	.	S	Bend	trans	-68.3	15	-174	66.5	1.6	0	0	0	114.2	L485 Q489 H491	L485-D487 VanDerWaalsContact C-N 3.3Å; D487-Q489 PolarHBondContact O-N 3.03Å; D487-Q489 VanDerWaalsContact O-N 3.09Å; D487-Q489 WeakPolarHBondContact OD1-CA 3.47Å; D487-Q489 WeakPolarHBondContact OD1-CB 3.06Å; D487-Q489 WeakPolarHBondContact OD1-CG 3.47Å; D487-Q489 PolarHBondContact OD1-N 2.8Å; D487-H491 IonicContact OD1-CD2 3.91Å; D487-H491 IonicContact OD1-CE1 2.67Å; D487-H491 IonicContact OD1-NE2 3.79Å; D487-H491 PolarHBondContact OD1-NE2 3.24Å; D487-H491 IonicContact OD2-CE1 2.73Å; D487-H491 PolarHBondContact OD2-CE1 3.45Å; D487-H491 IonicContact OD2-NE2 3.74Å; D487-H491 PolarHBondContact OD2-NE2 2.57Å
488	N	59.7	Low	81.1	Confident	93 Å²	93	76.9 Å²	76.9	50%	0.497	38%	0.378	S	S	.	.	S	Bend	trans	56	19.9	-173.9	-160.2	30.9	0	0	0	113.7	N486	N486-N488 PolarHBondContact O-N 2.87Å
489	Q	68.4	Low	80.6	Confident	94 Å²	94	79.5 Å²	79.5	44%	0.439	39%	0.391	S	S	.	.	S	Bend	trans	-95.1	165.1	168.6	-55.7	-56.5	-59.3	0	0	111.2	D487 H491	D487-Q489 PolarHBondContact O-N 3.03Å; D487-Q489 VanDerWaalsContact O-N 3.09Å; D487-Q489 WeakPolarHBondContact OD1-CA 3.47Å; D487-Q489 WeakPolarHBondContact OD1-CB 3.06Å; D487-Q489 WeakPolarHBondContact OD1-CG 3.47Å; D487-Q489 PolarHBondContact OD1-N 2.8Å; Q489-H491 PolarHBondContact O-N 3.2Å
490	W	77.9	Confident	80.1	Confident	107 Å²	107	86.5 Å²	86.5	41%	0.405	42%	0.421	S	S	.	.			trans	-84.7	110.5	173.1	-76.1	103.3	0	0	0	110.4	C545 R547 C572	W490-C545 HydrophobicContact CH2-CB 3.5Å; W490-C545 VanDerWaalsContact CH2-CB 3.5Å; W490-C545 HydrophobicContact CZ2-CB 4.08Å; W490-C545 HydrophobicContact CZ3-CB 4.09Å; W490-C545 WeakPolarHBondContact CZ3-O 3.44Å; W490-R547 VanDerWaalsContact CD1-NH2 3.34Å; W490-R547 HydrophobicContact CD2-CG 4.31Å; W490-R547 HydrophobicContact CE3-CG 3.81Å; W490-R547 VanDerWaalsContact CG-CZ 3.46Å; W490-R547 HydrophobicContact CH2-CB 3.74Å; W490-R547 HydrophobicContact CH2-CG 3.59Å; W490-R547 HydrophobicContact CZ2-CB 4.44Å; W490-R547 HydrophobicContact CZ2-CG 4.13Å; W490-R547 HydrophobicContact CZ3-CB 3.94Å; W490-R547 HydrophobicContact CZ3-CG 3.44Å; W490-R547 VanDerWaalsContact CZ3-CG 3.44Å; W490-C572 HydrophobicContact CH2-CB 4.43Å; W490-C572 HydrophobicContact CZ2-CB 4.03Å
491	H	87.5	Confident	80.3	Confident	49 Å²	49	82.9 Å²	82.9	23%	0.227	40%	0.404	C	S	.	.			trans	-91.7	137.9	169.1	-59.6	-72.8	0	0	0	111.5	L485 D487 Q489 D507	L485-H491 WeakPolarHBondContact CA-NE2 3.19Å; L485-H491 PolarHBondContact O-CD2 3.05Å; L485-H491 PolarHBondContact O-NE2 2.79Å; D487-H491 IonicContact OD1-CD2 3.91Å; D487-H491 IonicContact OD1-CE1 2.67Å; D487-H491 IonicContact OD1-NE2 3.79Å; D487-H491 PolarHBondContact OD1-NE2 3.24Å; D487-H491 IonicContact OD2-CE1 2.73Å; D487-H491 PolarHBondContact OD2-CE1 3.45Å; D487-H491 IonicContact OD2-NE2 3.74Å; D487-H491 PolarHBondContact OD2-NE2 2.57Å; Q489-H491 PolarHBondContact O-N 3.2Å; H491-D507 WeakPolarHBondContact CA-OD1 3.21Å; H491-D507 IonicContact CE1-OD2 3.61Å; H491-D507 IonicContact CG-OD2 3.63Å; H491-D507 IonicContact ND1-OD1 2.72Å; H491-D507 IonicContact ND1-OD2 3.43Å; H491-D507 PolarHBondContact ND1-OD2 2.8Å
492	Y	91.1	Very high	80.6	Confident	134 Å²	134	82.4 Å²	82.4	53%	0.525	40%	0.401	S	S	.	.			trans	-92.7	126.1	174.5	177.5	-103.8	0	0	0	110	Q494 V506 D507	Y492-Q494 HydrophobicContact CE1-CB 3.81Å; Y492-V506 CarbonylContact O-C 3.56Å; Y492-V506 VanDerWaalsContact O-CA 3.3Å; Y492-V506 WeakPolarHBondContact O-CA 3.18Å; Y492-D507 PolarHBondContact N-OD1 3.31Å; Y492-D507 PolarHBondContact O-N 2.83Å
493	I	93.8	Very high	81.6	Confident	95 Å²	95	78.6 Å²	78.6	49%	0.487	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	127.1	178.6	-56.8	172.9	0	0	0	109	V464 L504	V464-I493 HydrophobicContact CG1-CD1 4.26Å; V464-I493 HydrophobicContact CG1-CG2 4.28Å; V464-I493 HydrophobicContact CG2-CD1 4.36Å; I493-L504 HydrophobicContact CG2-CD1 4.16Å
494	Q	94.4	Very high	82.8	Confident	57 Å²	57	70.2 Å²	70.2	27%	0.266	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	115.8	172.9	-179.8	-176.4	10.3	0	0	109.3	Y492 E496 L504 H505	Y492-Q494 HydrophobicContact CE1-CB 3.81Å; Q494-E496 PolarHBondContact NE2-OE2 2.9Å; Q494-L504 WeakPolarHBondContact O-CA 3.43Å; Q494-H505 HydrophobicContact CB-CB 4.31Å; Q494-H505 PolarHBondContact N-O 3.28Å; Q494-H505 PolarHBondContact O-N 2.78Å
495	A	93.6	Very high	83.8	Confident	53 Å²	53	69 Å²	69	44%	0.438	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	125.1	171.3	0	0	0	0	0	109	F466 L503 L504	F466-A495 HydrophobicContact CD1-CB 3.92Å; F466-A495 HydrophobicContact CD2-CB 4.04Å; F466-A495 HydrophobicContact CE1-CB 4.02Å; F466-A495 HydrophobicContact CE2-CB 4.17Å; F466-A495 HydrophobicContact CG-CB 3.93Å; F466-A495 HydrophobicContact CZ-CB 4.16Å; A495-L503 WeakPolarHBondContact CA-O 3.24Å; A495-L504 HydrophobicContact CB-CD1 4.28Å
496	E	91.4	Very high	84.7	Confident	86 Å²	86	67.8 Å²	67.8	40%	0.402	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	141.6	-176.9	-171.4	176.7	158	0	0	110.8	Q494 T502 L503	Q494-E496 PolarHBondContact NE2-OE2 2.9Å; E496-T502 CarbonylContact O-C 3.55Å; E496-T502 WeakPolarHBondContact O-CA 3.49Å; E496-L503 HydrophobicContact CB-CB 4.38Å; E496-L503 PolarHBondContact N-O 3.49Å; E496-L503 PolarHBondContact O-N 2.71Å
497	R	86.9	Confident	85.8	Confident	76 Å²	76	66 Å²	66	29%	0.287	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129	167.9	175.8	179.8	179.3	-100.2	5.4	108.9	T502 H521 F522	R497-T502 HydrophobicContact CB-CG2 4.34Å; R497-H521 PolarHBondContact NH2-O 3.48Å; R497-F522 PolarHBondContact NH1-O 3.28Å
498	N	83.1	Confident	86.9	Confident	52 Å²	52	70.5 Å²	70.5	28%	0.278	34%	0.34	S	S	.	.			trans	-124	-175.3	170	66.6	49.2	0	0	0	110.2	K500 E501	N498-K500 PolarHBondContact O-N 3.28Å; N498-K500 WeakPolarHBondContact OD1-CA 3.34Å; N498-K500 WeakPolarHBondContact OD1-CB 3.4Å; N498-K500 PolarHBondContact OD1-N 2.83Å; N498-E501 PolarHBondContact N-O 3.1Å; N498-E501 WeakPolarHBondContact ND2-CG 3.38Å; N498-E501 PolarHBondContact OD1-N 3.04Å; N498-E501 PolarHBondContact OD1-O 3.26Å
499	I	81.6	Confident	88.3	Confident	128 Å²	128	67.6 Å²	67.6	66%	0.656	33%	0.325	S	S	*	.	S	Bend	trans	-67.7	-15.8	-178.5	54.5	164.3	0	0	0	114
500	K	82.3	Confident	89.5	Confident	155 Å²	155	68.5 Å²	68.5	67%	0.674	34%	0.339	S	S	*	.	S	Bend	trans	-103.7	-38.9	-177.7	-63.7	-177.1	179.7	180	0	112.2	N498 A516	N498-K500 PolarHBondContact O-N 3.28Å; N498-K500 WeakPolarHBondContact OD1-CA 3.34Å; N498-K500 WeakPolarHBondContact OD1-CB 3.4Å; N498-K500 PolarHBondContact OD1-N 2.83Å; K500-A516 WeakPolarHBondContact O-CB 3.12Å; K500-A516 PolarHBondContact O-N 2.79Å
501	E	88.6	Confident	90.1	Very high	51 Å²	51	69.3 Å²	69.3	24%	0.238	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	159.4	-167.7	64.8	-170.2	-164.5	0	0	112.6	N498 M513 R514	N498-E501 PolarHBondContact N-O 3.1Å; N498-E501 WeakPolarHBondContact ND2-CG 3.38Å; N498-E501 PolarHBondContact OD1-N 3.04Å; N498-E501 PolarHBondContact OD1-O 3.26Å; E501-M513 HydrophobicContact CB-CG 4.17Å; E501-M513 VanDerWaalsContact OE2-CE 3.23Å; E501-M513 WeakPolarHBondContact OE2-CE 3.04Å; E501-R514 WeakPolarHBondContact CA-O 3.38Å
502	T	90.3	Very high	90.4	Very high	5 Å²	5	68.4 Å²	68.4	3%	0.031	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136.9	166.1	-51.9	0	0	0	0	108.1	F466 M475 L477 E496 R497 M513 R514	F466-T502 HydrophobicContact CD1-CG2 3.95Å; F466-T502 HydrophobicContact CE1-CG2 3.56Å; M475-T502 HydrophobicContact CE-CG2 4.17Å; L477-T502 HydrophobicContact CD1-CG2 3.58Å; L477-T502 HydrophobicContact CD2-CG2 4.34Å; L477-T502 WeakPolarHBondContact CD2-O 3.47Å; E496-T502 CarbonylContact O-C 3.55Å; E496-T502 WeakPolarHBondContact O-CA 3.49Å; R497-T502 HydrophobicContact CB-CG2 4.34Å; T502-M513 CarbonylContact O-C 3.59Å; T502-M513 WeakPolarHBondContact O-CA 3.29Å; T502-R514 PolarHBondContact N-O 2.8Å; T502-R514 PolarHBondContact O-N 2.87Å
503	L	93.6	Very high	90.3	Very high	13 Å²	13	66.8 Å²	66.8	7%	0.068	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	136.5	-170.2	-174.5	78.9	0	0	0	110.3	A495 E496 K511 S512 M513	A495-L503 WeakPolarHBondContact CA-O 3.24Å; E496-L503 HydrophobicContact CB-CB 4.38Å; E496-L503 PolarHBondContact N-O 3.49Å; E496-L503 PolarHBondContact O-N 2.71Å; L503-K511 HydrophobicContact CD1-CB 3.82Å; L503-K511 HydrophobicContact CD1-CD 4.08Å; L503-K511 HydrophobicContact CD1-CG 4.47Å; L503-K511 HydrophobicContact CD2-CD 4.36Å; L503-S512 CarbonylContact C-O 3.52Å; L503-S512 WeakPolarHBondContact CA-O 3.03Å; L503-M513 HydrophobicContact CD1-CB 4.1Å; L503-M513 HydrophobicContact CD1-CE 3.88Å; L503-M513 HydrophobicContact CD1-CG 4.4Å
504	L	96.2	Very high	90	Very high	2 Å²	2	68.6 Å²	68.6	1%	0.01	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	130.2	165.6	177.7	62.5	0	0	0	109.4	V464 F466 L477 V479 I493 Q494 A495 S512	V464-L504 HydrophobicContact CG1-CD1 4.31Å; V464-L504 HydrophobicContact CG1-CD2 4.32Å; V464-L504 WeakPolarHBondContact O-CD2 3.49Å; F466-L504 HydrophobicContact CB-CB 4.33Å; F466-L504 HydrophobicContact CB-CD1 4.09Å; F466-L504 HydrophobicContact CB-CD2 3.94Å; F466-L504 HydrophobicContact CB-CG 4.34Å; L477-L504 HydrophobicContact CB-CB 4.07Å; L477-L504 HydrophobicContact CB-CD2 4.39Å; L477-L504 HydrophobicContact CD2-CB 4.38Å; L477-L504 WeakPolarHBondContact O-CD2 3.49Å; V479-L504 HydrophobicContact CB-CD2 4.31Å; V479-L504 HydrophobicContact CG2-CB 4.26Å; V479-L504 HydrophobicContact CG2-CD2 3.87Å; V479-L504 HydrophobicContact CG2-CG 3.76Å; I493-L504 HydrophobicContact CG2-CD1 4.16Å; Q494-L504 WeakPolarHBondContact O-CA 3.43Å; A495-L504 HydrophobicContact CB-CD1 4.28Å; L504-S512 PolarHBondContact N-O 3.01Å; L504-S512 PolarHBondContact O-N 3.24Å
505	H	94.7	Very high	89.6	Confident	24 Å²	24	72.7 Å²	72.7	11%	0.111	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	132.5	178	-178.1	-139.2	0	0	0	109.5	Q494 D507 L509 K511	Q494-H505 HydrophobicContact CB-CB 4.31Å; Q494-H505 PolarHBondContact N-O 3.28Å; Q494-H505 PolarHBondContact O-N 2.78Å; H505-D507 PolarHBondContact CE1-O 2.72Å; H505-D507 PolarHBondContact NE2-O 3.34Å; H505-D507 VanDerWaalsContact NE2-O 3.16Å; H505-L509 PolarHBondContact CD2-O 2.86Å; H505-L509 VanDerWaalsContact CD2-O 3.24Å; H505-L509 PolarHBondContact NE2-O 2.03Å; H505-K511 HydrophobicContact CB-CD 4.44Å; H505-K511 HydrophobicContact CB-CG 3.99Å; H505-K511 VanDerWaalsContact CD2-CG 3.47Å; H505-K511 WeakPolarHBondContact CD2-CG 3.36Å
506	V	94	Very high	88.8	Confident	0 Å²	0	72 Å²	72	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	124.7	179	-175.3	0	0	0	0	107.9	V464 V479 L485 Y492 N508 L509	V464-V506 HydrophobicContact CB-CG2 3.77Å; V464-V506 HydrophobicContact CG1-CG2 4.16Å; V464-V506 HydrophobicContact CG2-CG1 4.18Å; V464-V506 HydrophobicContact CG2-CG2 3.77Å; V479-V506 HydrophobicContact CB-CB 4.45Å; V479-V506 HydrophobicContact CB-CG2 3.85Å; V479-V506 HydrophobicContact CG1-CB 3.91Å; V479-V506 HydrophobicContact CG1-CG2 3.87Å; V479-V506 HydrophobicContact CG2-CG2 4.26Å; L485-V506 HydrophobicContact CD1-CG1 4.44Å; L485-V506 HydrophobicContact CD2-CG1 4.49Å; Y492-V506 CarbonylContact O-C 3.56Å; Y492-V506 VanDerWaalsContact O-CA 3.3Å; Y492-V506 WeakPolarHBondContact O-CA 3.18Å; V506-N508 PolarHBondContact O-N 2.68Å; V506-L509 HydrophobicContact CB-CD1 4.41Å; V506-L509 HydrophobicContact CG1-CD1 4.49Å; V506-L509 VanDerWaalsContact O-CB 3.22Å; V506-L509 WeakPolarHBondContact O-CB 3.47Å; V506-L509 WeakPolarHBondContact O-CG 3.47Å; V506-L509 PolarHBondContact O-N 3.35Å
507	D	90.9	Very high	87.8	Confident	43 Å²	43	70.8 Å²	70.8	23%	0.23	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	-121	-176.7	-61.4	-34.4	0	0	0	113.4	H491 Y492 H505	H491-D507 WeakPolarHBondContact CA-OD1 3.21Å; H491-D507 IonicContact CE1-OD2 3.61Å; H491-D507 IonicContact CG-OD2 3.63Å; H491-D507 IonicContact ND1-OD1 2.72Å; H491-D507 IonicContact ND1-OD2 3.43Å; H491-D507 PolarHBondContact ND1-OD2 2.8Å; Y492-D507 PolarHBondContact N-OD1 3.31Å; Y492-D507 PolarHBondContact O-N 2.83Å; H505-D507 PolarHBondContact CE1-O 2.72Å; H505-D507 PolarHBondContact NE2-O 3.34Å; H505-D507 VanDerWaalsContact NE2-O 3.16Å
508	N	85.2	Confident	86.8	Confident	164 Å²	164	76.1 Å²	76.1	88%	0.877	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	19.2	173.2	-68.1	-31.2	0	0	0	111.2	V506	V506-N508 PolarHBondContact O-N 2.68Å
509	L	89.6	Confident	86	Confident	32 Å²	32	81.8 Å²	81.8	17%	0.168	41%	0.412	C	S	.	.	S	Bend	trans	-74.8	158.5	179.3	-60.3	175.5	0	0	0	111	V479 P482 H505 V506 K511	V479-L509 HydrophobicContact CG1-CB 4.14Å; V479-L509 HydrophobicContact CG1-CD1 3.99Å; P482-L509 HydrophobicContact CG-CD2 4.38Å; H505-L509 PolarHBondContact CD2-O 2.86Å; H505-L509 VanDerWaalsContact CD2-O 3.24Å; H505-L509 PolarHBondContact NE2-O 2.03Å; V506-L509 HydrophobicContact CB-CD1 4.41Å; V506-L509 HydrophobicContact CG1-CD1 4.49Å; V506-L509 VanDerWaalsContact O-CB 3.22Å; V506-L509 WeakPolarHBondContact O-CB 3.47Å; V506-L509 WeakPolarHBondContact O-CG 3.47Å; V506-L509 PolarHBondContact O-N 3.35Å; L509-K511 PolarHBondContact O-N 3.48Å
510	P	92.1	Very high	85	Confident	113 Å²	113	76 Å²	76	73%	0.734	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-53.5	132.8	174.7	-25.3	34.9	0	0	0	111.8
511	K	91.1	Very high	84.5	Confident	123 Å²	123	74.8 Å²	74.8	54%	0.535	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-70.2	132.8	-179.4	-58.1	-177.1	-179.1	-174.9	0	110.4	L503 H505 L509	L503-K511 HydrophobicContact CD1-CB 3.82Å; L503-K511 HydrophobicContact CD1-CD 4.08Å; L503-K511 HydrophobicContact CD1-CG 4.47Å; L503-K511 HydrophobicContact CD2-CD 4.36Å; H505-K511 HydrophobicContact CB-CD 4.44Å; H505-K511 HydrophobicContact CB-CG 3.99Å; H505-K511 VanDerWaalsContact CD2-CG 3.47Å; H505-K511 WeakPolarHBondContact CD2-CG 3.36Å; L509-K511 PolarHBondContact O-N 3.48Å
512	S	93.2	Very high	83.6	Confident	31 Å²	31	79.1 Å²	79.1	22%	0.217	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	127.8	169.4	-168	0	0	0	0	108.6	L477 L478 L503 L504	L477-S512 WeakPolarHBondContact CD2-O 3.12Å; L478-S512 VanDerWaalsContact O-CB 3.24Å; L478-S512 WeakPolarHBondContact O-CB 3.49Å; L478-S512 PolarHBondContact O-OG 3.46Å; L503-S512 CarbonylContact C-O 3.52Å; L503-S512 WeakPolarHBondContact CA-O 3.03Å; L504-S512 PolarHBondContact N-O 3.01Å; L504-S512 PolarHBondContact O-N 3.24Å
513	M	90.4	Very high	82.5	Confident	100 Å²	100	84.9 Å²	84.9	49%	0.493	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	142.3	-173.6	-178	-167.7	-77.2	0	0	110.5	E501 T502 L503	E501-M513 HydrophobicContact CB-CG 4.17Å; E501-M513 VanDerWaalsContact OE2-CE 3.23Å; E501-M513 WeakPolarHBondContact OE2-CE 3.04Å; T502-M513 CarbonylContact O-C 3.59Å; T502-M513 WeakPolarHBondContact O-CA 3.29Å; L503-M513 HydrophobicContact CD1-CB 4.1Å; L503-M513 HydrophobicContact CD1-CE 3.88Å; L503-M513 HydrophobicContact CD1-CG 4.4Å
514	R	86.8	Confident	81.5	Confident	133 Å²	133	87.5 Å²	87.5	50%	0.502	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	132.1	172.9	-178.8	162.4	171.9	-171.5	0.5	110.7	M475 L477 E501 T502	M475-R514 HydrophobicContact CE-CB 3.49Å; M475-R514 VanDerWaalsContact CE-CB 3.49Å; M475-R514 VanDerWaalsContact CE-CD 3.48Å; M475-R514 HydrophobicContact CE-CG 3.51Å; M475-R514 VanDerWaalsContact SD-CD 3.55Å; M475-R514 HydrophobicContact SD-CG 3.99Å; L477-R514 HydrophobicContact CD2-CB 4.45Å; E501-R514 WeakPolarHBondContact CA-O 3.38Å; T502-R514 PolarHBondContact N-O 2.8Å; T502-R514 PolarHBondContact O-N 2.87Å
515	M	85.3	Confident	80.2	Confident	143 Å²	143	94.2 Å²	94.2	70%	0.704	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64	143.5	178.7	-68	-67.9	-129.9	0	0	110.9
516	A	76.7	Confident	79.4	Confident	39 Å²	39	99.3 Å²	99.3	32%	0.322	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-68.8	133.3	174.6	0	0	0	0	0	110.2	K500	K500-A516 WeakPolarHBondContact O-CB 3.12Å; K500-A516 PolarHBondContact O-N 2.79Å
517	S	71	Confident	78.7	Confident	59 Å²	59	106.6 Å²	106.6	41%	0.413	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-75.7	144.1	174.7	174.8	0	0	0	0	110.9	E519 G520	S517-E519 PolarHBondContact O-N 2.8Å; S517-E519 PolarHBondContact OG-N 3.05Å; S517-G520 PolarHBondContact O-N 3.29Å
518	E	66.2	Low	78.1	Confident	188 Å²	188	109 Å²	109	88%	0.879	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-17.6	174.7	-63.1	-167.9	166	0	0	113.1
519	E	65.9	Low	77.9	Confident	171 Å²	171	108.1 Å²	108.1	80%	0.799	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-8.5	-178.3	-62.4	-178.5	172.9	0	0	113.7	S517	S517-E519 PolarHBondContact O-N 2.8Å; S517-E519 PolarHBondContact OG-N 3.05Å
520	G	61.9	Low	77.6	Confident	8 Å²	8	112.1 Å²	112.1	8%	0.082	57%	0.572	C	S	.	*	S	Bend	trans	-88.3	152.3	-178.3	0	0	0	0	0	113.5	S517 F522	S517-G520 PolarHBondContact O-N 3.29Å; G520-F522 PolarHBondContact O-N 2.87Å
521	H	71	Confident	77.3	Confident	129 Å²	129	112 Å²	112	60%	0.597	56%	0.561	S	S	*	*			trans	-67.2	126.5	175.4	-67.7	-65.1	0	0	0	111.5	V470 R497 L523	V470-H521 WeakPolarHBondContact O-CB 3.28Å; V470-H521 PolarHBondContact O-CD2 3.18Å; V470-H521 PolarHBondContact O-N 3.17Å; R497-H521 PolarHBondContact NH2-O 3.48Å; H521-L523 PolarHBondContact O-N 3.32Å
522	F	68.7	Low	77	Confident	142 Å²	142	109.8 Å²	109.8	62%	0.623	56%	0.557	S	S	*	*	S	Bend	trans	-63.3	-41.9	176.5	-60.7	-74.7	0	0	0	112.1	R497 G520	R497-F522 PolarHBondContact NH1-O 3.28Å; G520-F522 PolarHBondContact O-N 2.87Å
523	L	68.3	Low	76.3	Confident	126 Å²	126	110 Å²	110	66%	0.66	56%	0.564	S	S	*	*	S	Bend	trans	-97.7	115.2	-179	-168.5	74.7	0	0	0	110.7	H521 Q525	H521-L523 PolarHBondContact O-N 3.32Å; L523-Q525 HydrophobicContact CD2-CG 3.78Å; L523-Q525 HydrophobicContact CG-CG 4.11Å
524	L	71.3	Confident	75.6	Confident	67 Å²	67	107 Å²	107	35%	0.351	56%	0.559	S	S	.	*			trans	-90.6	102.1	171	-163	81.8	0	0	0	108.9	I468 D469 V470 L526	I468-L524 HydrophobicContact CD1-CD2 4.23Å; I468-L524 HydrophobicContact CG1-CD2 4.5Å; D469-L524 WeakPolarHBondContact O-CD1 3.37Å; V470-L524 HydrophobicContact CG1-CD1 4.16Å; L524-L526 HydrophobicContact CD2-CD1 4.46Å; L524-L526 HydrophobicContact CD2-CD2 3.69Å; L524-L526 HydrophobicContact CD2-CG 4.09Å; L524-L526 HydrophobicContact CG-CD2 4.14Å; L524-L526 HydrophobicContact CG-CG 4.45Å; L524-L526 PolarHBondContact O-N 3.24Å
525	Q	69.6	Low	74.9	Confident	144 Å²	144	104.2 Å²	104.2	67%	0.673	56%	0.557	S	S	*	*			trans	-85.7	103.4	175.1	-72	-175.3	-22	0	0	109.8	L523	L523-Q525 HydrophobicContact CD2-CG 3.78Å; L523-Q525 HydrophobicContact CG-CG 4.11Å
526	L	78.3	Confident	73.5	Confident	131 Å²	131	103.1 Å²	103.1	69%	0.686	56%	0.563	S	S	*	*			trans	-86.9	110.7	175.4	-62	174.9	0	0	0	109.4	L524	L524-L526 HydrophobicContact CD2-CD1 4.46Å; L524-L526 HydrophobicContact CD2-CD2 3.69Å; L524-L526 HydrophobicContact CD2-CG 4.09Å; L524-L526 HydrophobicContact CG-CD2 4.14Å; L524-L526 HydrophobicContact CG-CG 4.45Å; L524-L526 PolarHBondContact O-N 3.24Å
527	N	78.4	Confident	72.5	Confident	152 Å²	152	106.3 Å²	106.3	81%	0.813	58%	0.583	S	S	*	*			trans	-100	-4.3	-178.2	-63.4	-24.5	0	0	0	113.3
528	S	79.1	Confident	71.3	Confident	93 Å²	93	113.6 Å²	113.6	65%	0.65	60%	0.602	S	S	*	*	S	Bend	trans	-94.8	161.5	179.4	64.1	0	0	0	0	112.2
529	Q	81.3	Confident	70.5	Confident	147 Å²	147	111.7 Å²	111.7	69%	0.687	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-62.7	145	167.6	-66.3	-179.7	53.7	0	0	110.3	F531	Q529-F531 HydrophobicContact CB-CE2 4.19Å; Q529-F531 HydrophobicContact CB-CZ 4.27Å; Q529-F531 VanDerWaalsContact O-CD2 3.31Å; Q529-F531 WeakPolarHBondContact O-CD2 3.39Å; Q529-F531 WeakPolarHBondContact O-CE2 3.37Å
530	L	83	Confident	69.9	Low	115 Å²	115	111.1 Å²	111.1	60%	0.602	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-79.5	128	171.5	177.6	68	0	0	0	109.6	V532 L551	L530-V532 HydrophobicContact CD2-CG2 4.26Å; L530-V532 HydrophobicContact CG-CG2 4.24Å; L530-L551 HydrophobicContact CD2-CD1 3.16Å; L530-L551 HydrophobicContact CD2-CD2 3.79Å; L530-L551 HydrophobicContact CD2-CG 4.11Å
531	F	84.8	Confident	69.9	Low	112 Å²	112	113.1 Å²	113.1	49%	0.491	61%	0.608	S	S	.	*			trans	-107	133.6	173.4	-64.6	-84.7	0	0	0	109.8	Q529 G534 T535	Q529-F531 HydrophobicContact CB-CE2 4.19Å; Q529-F531 HydrophobicContact CB-CZ 4.27Å; Q529-F531 VanDerWaalsContact O-CD2 3.31Å; Q529-F531 WeakPolarHBondContact O-CD2 3.39Å; Q529-F531 WeakPolarHBondContact O-CE2 3.37Å; F531-G534 WeakPolarHBondContact CB-O 3.44Å; F531-T535 HydrophobicContact CB-CG2 4.17Å; F531-T535 HydrophobicContact CG-CG2 4.38Å
532	V	85.4	Confident	69.9	Low	75 Å²	75	112.9 Å²	112.9	46%	0.455	61%	0.606	S	S	.	*	S	Bend	trans	-122.2	124.5	177.4	-179	0	0	0	0	107	L530 I546 L549	L530-V532 HydrophobicContact CD2-CG2 4.26Å; L530-V532 HydrophobicContact CG-CG2 4.24Å; V532-I546 HydrophobicContact CG1-CD1 3.67Å; V532-L549 HydrophobicContact CG1-CD2 4.3Å; V532-L549 HydrophobicContact CG2-CD2 3.89Å
533	G	78.3	Confident	69.8	Low	35 Å²	35	114.4 Å²	114.4	36%	0.361	62%	0.62	S	S	.	*	S	Bend	trans	86.2	-6.5	178.5	0	0	0	0	0	116.3	G541 F542	G533-G541 CarbonylContact O-C 3.59Å; G533-G541 WeakPolarHBondContact O-CA 3.33Å; G533-F542 PolarHBondContact O-N 2.68Å
534	G	76.1	Confident	70.1	Confident	38 Å²	38	111 Å²	111	39%	0.392	62%	0.615	S	S	.	*			trans	162.1	163.6	173.8	0	0	0	0	0	113.5	F531	F531-G534 WeakPolarHBondContact CB-O 3.44Å
535	T	71.5	Confident	70.4	Confident	75 Å²	75	110.3 Å²	110.3	46%	0.46	62%	0.615	S	S	.	*			trans	-121.8	165.9	177.1	69.5	0	0	0	0	111.1	F531 R538	F531-T535 HydrophobicContact CB-CG2 4.17Å; F531-T535 HydrophobicContact CG-CG2 4.38Å; T535-R538 PolarHBondContact OG1-N 3.41Å
536	S	57	Low	71.2	Confident	119 Å²	119	107.1 Å²	107.1	83%	0.832	60%	0.602	S	S	*	*	S	Bend	trans	-78.1	-13.2	179.8	52.5	0	0	0	0	115
537	S	56.2	Low	71.6	Confident	106 Å²	106	107.7 Å²	107.7	74%	0.741	60%	0.595	S	S	*	*	S	Bend	trans	-128.1	2.6	-168.1	61.7	0	0	0	0	115.9
538	R	45.8	Very low	71.9	Confident	213 Å²	213	104.4 Å²	104.4	80%	0.804	58%	0.584	S	S	*	*	S	Bend	trans	-133.7	139.7	172.2	-71.7	-166.2	176.8	-165.5	0.6	112.2	T535	T535-R538 PolarHBondContact OG1-N 3.41Å
539	Q	49.5	Very low	72.4	Confident	148 Å²	148	101.8 Å²	101.8	69%	0.692	56%	0.562	S	S	*	*	S	Bend	trans	-61.5	137.7	-170.7	-64.5	-177.2	-19.3	0	0	113.1
540	K	53	Low	72.8	Confident	159 Å²	159	99.9 Å²	99.9	69%	0.691	55%	0.553	S	S	*	*			trans	67	103.5	174.9	-57.6	179.6	-178.3	176.6	0	115.5
541	G	60.5	Low	73.1	Confident	50 Å²	50	97.6 Å²	97.6	52%	0.515	54%	0.541	S	S	.	.			trans	-81.2	164.7	167.6	0	0	0	0	0	112.5	G533 L543	G533-G541 CarbonylContact O-C 3.59Å; G533-G541 WeakPolarHBondContact O-CA 3.33Å; G541-L543 PolarHBondContact O-N 3.46Å
542	F	72.8	Confident	73.2	Confident	123 Å²	123	100.8 Å²	100.8	54%	0.539	56%	0.563	S	S	.	*			trans	-69.2	123.5	172.8	177.7	-96.6	0	0	0	110.7	G533 I546	G533-F542 PolarHBondContact O-N 2.68Å; F542-I546 HydrophobicContact CD1-CD1 3.9Å; F542-I546 HydrophobicContact CD1-CG1 4.04Å; F542-I546 HydrophobicContact CE1-CD1 3.97Å; F542-I546 HydrophobicContact CE1-CG1 3.58Å; F542-I546 HydrophobicContact CZ-CG1 4.34Å
543	L	65.8	Low	73.1	Confident	175 Å²	175	100.7 Å²	100.7	92%	0.916	58%	0.578	S	S	*	*			trans	-108.7	113.3	171	-177	68.6	0	0	0	108.6	G541	G541-L543 PolarHBondContact O-N 3.46Å
544	G	74.2	Confident	73.6	Confident	55 Å²	55	106.3 Å²	106.3	57%	0.567	59%	0.594	S	S	*	*	S	Bend	trans	160.6	-159.9	-176.9	0	0	0	0	0	111.8
545	C	77.8	Confident	74	Confident	51 Å²	51	111.9 Å²	111.9	35%	0.345	61%	0.608	S	S	.	*			trans	-109.7	134.9	-176.9	-57.3	0	0	0	0	112	W490 C572	W490-C545 HydrophobicContact CH2-CB 3.5Å; W490-C545 VanDerWaalsContact CH2-CB 3.5Å; W490-C545 HydrophobicContact CZ2-CB 4.08Å; W490-C545 HydrophobicContact CZ3-CB 4.09Å; W490-C545 WeakPolarHBondContact CZ3-O 3.44Å; C545-C572 HydrophobicContact CB-CB 3.53Å; C545-C572 WeakPolarHBondContact CB-SG 3.14Å; C545-C572 WeakPolarHBondContact SG-CB 3.36Å; C545-C572 CovalentContact SG-SG 2.01Å; C545-C572 PolarHBondContact SG-SG 3.07Å
546	I	86.8	Confident	74.8	Confident	77 Å²	77	110.7 Å²	110.7	40%	0.395	60%	0.6	S	S	.	*			trans	-121.9	131.2	172.3	-58.6	177.1	0	0	0	108	V532 F542 L558	V532-I546 HydrophobicContact CG1-CD1 3.67Å; F542-I546 HydrophobicContact CD1-CD1 3.9Å; F542-I546 HydrophobicContact CD1-CG1 4.04Å; F542-I546 HydrophobicContact CE1-CD1 3.97Å; F542-I546 HydrophobicContact CE1-CG1 3.58Å; F542-I546 HydrophobicContact CZ-CG1 4.34Å; I546-L558 HydrophobicContact CB-CD1 4.49Å; I546-L558 HydrophobicContact CG2-CD1 3.93Å
547	R	85.8	Confident	76.1	Confident	144 Å²	144	109.8 Å²	109.8	54%	0.543	59%	0.586	S	S	.	*			trans	-136.1	164.4	172.2	75.5	-178	174.1	170.7	-0.5	110.5	W490 L549	W490-R547 VanDerWaalsContact CD1-NH2 3.34Å; W490-R547 HydrophobicContact CD2-CG 4.31Å; W490-R547 HydrophobicContact CE3-CG 3.81Å; W490-R547 VanDerWaalsContact CG-CZ 3.46Å; W490-R547 HydrophobicContact CH2-CB 3.74Å; W490-R547 HydrophobicContact CH2-CG 3.59Å; W490-R547 HydrophobicContact CZ2-CB 4.44Å; W490-R547 HydrophobicContact CZ2-CG 4.13Å; W490-R547 HydrophobicContact CZ3-CB 3.94Å; W490-R547 HydrophobicContact CZ3-CG 3.44Å; W490-R547 VanDerWaalsContact CZ3-CG 3.44Å; R547-L549 PolarHBondContact O-N 3.26Å
548	S	84.8	Confident	77.5	Confident	83 Å²	83	107 Å²	107	58%	0.58	56%	0.563	S	S	*	*	S	Bend	trans	55.1	35.9	172.8	-56.7	0	0	0	0	113.9	H550	S548-H550 PolarHBondContact O-CE1 3.4Å; S548-H550 PolarHBondContact O-N 3.01Å; S548-H550 PolarHBondContact O-ND1 2.98Å
549	L	89.4	Confident	79.2	Confident	38 Å²	38	102.5 Å²	102.5	20%	0.199	55%	0.551	C	S	.	*			trans	-67.3	119.8	177	-178.6	66.5	0	0	0	110.2	V532 R547 L551 V556 L558	V532-L549 HydrophobicContact CG1-CD2 4.3Å; V532-L549 HydrophobicContact CG2-CD2 3.89Å; R547-L549 PolarHBondContact O-N 3.26Å; L549-L551 HydrophobicContact CD1-CD2 4.28Å; L549-L551 HydrophobicContact CG-CD2 4.48Å; L549-L551 HydrophobicContact CG-CG 4.39Å; L549-V556 HydrophobicContact CD2-CB 4.3Å; L549-V556 HydrophobicContact CD2-CG2 4.26Å; L549-V556 HydrophobicContact CG-CB 4.46Å; L549-V556 HydrophobicContact CG-CG2 4.33Å; L549-V556 PolarHBondContact O-N 2.95Å; L549-L558 HydrophobicContact CB-CD1 3.83Å; L549-L558 HydrophobicContact CB-CD2 4.22Å; L549-L558 HydrophobicContact CB-CG 4.21Å; L549-L558 HydrophobicContact CD2-CD2 3.88Å
550	H	90.7	Very high	80.8	Confident	107 Å²	107	100.3 Å²	100.3	50%	0.495	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	131.9	172.5	-65.7	76.6	0	0	0	109.2	S548 Q554	S548-H550 PolarHBondContact O-CE1 3.4Å; S548-H550 PolarHBondContact O-N 3.01Å; S548-H550 PolarHBondContact O-ND1 2.98Å; H550-Q554 CarbonylContact C-O 3.57Å; H550-Q554 WeakPolarHBondContact CA-O 3.23Å
551	L	88.7	Confident	82.4	Confident	66 Å²	66	99.9 Å²	99.9	35%	0.346	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	117.7	176.1	-62	172.1	0	0	0	108.1	L530 L549 G553 Q554 V556	L530-L551 HydrophobicContact CD2-CD1 3.16Å; L530-L551 HydrophobicContact CD2-CD2 3.79Å; L530-L551 HydrophobicContact CD2-CG 4.11Å; L549-L551 HydrophobicContact CD1-CD2 4.28Å; L549-L551 HydrophobicContact CG-CD2 4.48Å; L549-L551 HydrophobicContact CG-CG 4.39Å; L551-G553 PolarHBondContact O-N 3.3Å; L551-G553 VanDerWaalsContact O-N 3.15Å; L551-Q554 PolarHBondContact N-O 2.03Å; L551-Q554 WeakPolarHBondContact O-CB 3.35Å; L551-Q554 PolarHBondContact O-N 2.93Å; L551-V556 HydrophobicContact CB-CG2 4.38Å; L551-V556 HydrophobicContact CD1-CG2 3.47Å; L551-V556 VanDerWaalsContact CD1-CG2 3.47Å; L551-V556 HydrophobicContact CG-CG2 3.79Å
552	N	86.4	Confident	83.4	Confident	180 Å²	180	97.9 Å²	97.9	96%	0.963	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	39.6	-176.6	-60.7	-26.1	0	0	0	113.1	Q554	N552-Q554 VanDerWaalsContact C-N 3.28Å; N552-Q554 PolarHBondContact O-N 3.36Å
553	G	84.1	Confident	83.7	Confident	73 Å²	73	97.7 Å²	97.7	75%	0.753	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	-6.9	-178.1	0	0	0	0	0	115.5	L551	L551-G553 PolarHBondContact O-N 3.3Å; L551-G553 VanDerWaalsContact O-N 3.15Å
554	Q	89.9	Confident	84.5	Confident	153 Å²	153	95.3 Å²	95.3	72%	0.715	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	128.1	176.8	-163.1	174.7	34.8	0	0	111.1	H550 L551 N552	H550-Q554 CarbonylContact C-O 3.57Å; H550-Q554 WeakPolarHBondContact CA-O 3.23Å; L551-Q554 PolarHBondContact N-O 2.03Å; L551-Q554 WeakPolarHBondContact O-CB 3.35Å; L551-Q554 PolarHBondContact O-N 2.93Å; N552-Q554 VanDerWaalsContact C-N 3.28Å; N552-Q554 PolarHBondContact O-N 3.36Å
555	K	83.9	Confident	84.6	Confident	155 Å²	155	95.4 Å²	95.4	67%	0.674	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	129.8	175.5	-174.8	-178.6	177.3	-173.5	0	110.3
556	V	88.3	Confident	83.9	Confident	49 Å²	49	98.8 Å²	98.8	30%	0.297	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-93.1	131.7	173.7	-176	0	0	0	0	109.5	L549 L551 L558	L549-V556 HydrophobicContact CD2-CB 4.3Å; L549-V556 HydrophobicContact CD2-CG2 4.26Å; L549-V556 HydrophobicContact CG-CB 4.46Å; L549-V556 HydrophobicContact CG-CG2 4.33Å; L549-V556 PolarHBondContact O-N 2.95Å; L551-V556 HydrophobicContact CB-CG2 4.38Å; L551-V556 HydrophobicContact CD1-CG2 3.47Å; L551-V556 VanDerWaalsContact CD1-CG2 3.47Å; L551-V556 HydrophobicContact CG-CG2 3.79Å; V556-L558 HydrophobicContact CG1-CD2 4.19Å; V556-L558 PolarHBondContact O-N 3.17Å; V556-L558 VanDerWaalsContact O-N 3.14Å
557	D	84.8	Confident	82.8	Confident	101 Å²	101	99.3 Å²	99.3	54%	0.54	54%	0.538	S	S	.	.			trans	-78.9	93.6	171.6	-167.5	-22.4	0	0	0	110.2	E559 E560	D557-E559 VanDerWaalsContact C-N 3.32Å; D557-E559 PolarHBondContact OD1-N 2.86Å; D557-E560 PolarHBondContact OD1-N 2.81Å
558	L	85.3	Confident	82.3	Confident	48 Å²	48	96.2 Å²	96.2	25%	0.251	54%	0.535	S	S	.	.	H	α-helix	trans	-72.6	-24.8	178.9	-65.3	176.6	0	0	0	112.7	I546 L549 V556 A562	I546-L558 HydrophobicContact CB-CD1 4.49Å; I546-L558 HydrophobicContact CG2-CD1 3.93Å; L549-L558 HydrophobicContact CB-CD1 3.83Å; L549-L558 HydrophobicContact CB-CD2 4.22Å; L549-L558 HydrophobicContact CB-CG 4.21Å; L549-L558 HydrophobicContact CD2-CD2 3.88Å; V556-L558 HydrophobicContact CG1-CD2 4.19Å; V556-L558 PolarHBondContact O-N 3.17Å; V556-L558 VanDerWaalsContact O-N 3.14Å; L558-A562 VanDerWaalsContact O-CB 3.25Å; L558-A562 WeakPolarHBondContact O-CB 3.33Å; L558-A562 PolarHBondContact O-N 2.75Å
559	E	80.3	Confident	81.5	Confident	118 Å²	118	102.9 Å²	102.9	55%	0.551	55%	0.547	S	S	*	.	H	α-helix	trans	-73.7	-48.8	-173.5	-174.2	176.1	170.4	0	0	110.9	D557 R561 A562 K563 P570	D557-E559 VanDerWaalsContact C-N 3.32Å; D557-E559 PolarHBondContact OD1-N 2.86Å; E559-R561 VanDerWaalsContact C-N 3.27Å; E559-R561 PolarHBondContact O-N 2.87Å; E559-A562 PolarHBondContact O-N 2.88Å; E559-K563 PolarHBondContact O-N 3.31Å; E559-P570 HydrophobicContact CG-CB 4.08Å
560	E	84.1	Confident	80.9	Confident	102 Å²	102	104.6 Å²	104.6	48%	0.477	56%	0.561	S	S	.	*	H	α-helix	trans	-64.3	-35.6	174.1	-72.9	-57.4	134.3	0	0	111.6	D557 K563	D557-E560 PolarHBondContact OD1-N 2.81Å; E560-K563 PolarHBondContact O-N 2.91Å; E560-K563 IonicContact OE1-NZ 3.41Å; E560-K563 PolarHBondContact OE1-NZ 3.05Å; E560-K563 IonicContact OE2-NZ 3.7Å
561	R	85.9	Confident	79.9	Confident	149 Å²	149	103.2 Å²	103.2	56%	0.562	58%	0.575	S	S	*	*	H	α-helix	trans	-69.8	-35.5	177.6	-165.3	59.5	173.5	-174.1	1.6	112.5	E559 K563 I564 T565	E559-R561 VanDerWaalsContact C-N 3.27Å; E559-R561 PolarHBondContact O-N 2.87Å; R561-K563 VanDerWaalsContact C-N 3.34Å; R561-K563 PolarHBondContact O-N 3.45Å; R561-I564 WeakPolarHBondContact O-CG1 3.47Å; R561-I564 PolarHBondContact O-N 2.87Å; R561-T565 WeakPolarHBondContact O-CB 3.44Å; R561-T565 PolarHBondContact O-N 3.02Å; R561-T565 PolarHBondContact O-OG1 3.48Å
562	A	81.6	Confident	78.8	Confident	8 Å²	8	102.6 Å²	102.6	7%	0.066	58%	0.576	C	S	.	*	H	α-helix	trans	-63.2	-38	176.3	0	0	0	0	0	112.1	L558 E559 I564 T565 V568	L558-A562 VanDerWaalsContact O-CB 3.25Å; L558-A562 WeakPolarHBondContact O-CB 3.33Å; L558-A562 PolarHBondContact O-N 2.75Å; E559-A562 PolarHBondContact O-N 2.88Å; A562-I564 PolarHBondContact O-N 2.83Å; A562-T565 PolarHBondContact O-N 3.2Å; A562-V568 HydrophobicContact CB-CB 4.48Å; A562-V568 HydrophobicContact CB-CG1 3.76Å
563	K	78.6	Confident	77.5	Confident	119 Å²	119	96.6 Å²	96.6	52%	0.517	55%	0.551	S	S	.	*	H	α-helix	trans	-59.2	-30	-179.6	-69.9	173.5	-173.3	170.6	0	113.9	E559 E560 R561	E559-K563 PolarHBondContact O-N 3.31Å; E560-K563 PolarHBondContact O-N 2.91Å; E560-K563 IonicContact OE1-NZ 3.41Å; E560-K563 PolarHBondContact OE1-NZ 3.05Å; E560-K563 IonicContact OE2-NZ 3.7Å; R561-K563 VanDerWaalsContact C-N 3.34Å; R561-K563 PolarHBondContact O-N 3.45Å
564	I	82.3	Confident	76.5	Confident	125 Å²	125	94.4 Å²	94.4	64%	0.641	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-1.1	-176.5	62.6	171.4	0	0	0	113.3	R561 A562	R561-I564 WeakPolarHBondContact O-CG1 3.47Å; R561-I564 PolarHBondContact O-N 2.87Å; A562-I564 PolarHBondContact O-N 2.83Å
565	T	76.8	Confident	75.3	Confident	57 Å²	57	89.5 Å²	89.5	35%	0.35	51%	0.505	S	S	.	.	S	Bend	trans	-106.1	117.9	-176.9	-55.2	0	0	0	0	109.8	R561 A562 G567 V568	R561-T565 WeakPolarHBondContact O-CB 3.44Å; R561-T565 PolarHBondContact O-N 3.02Å; R561-T565 PolarHBondContact O-OG1 3.48Å; A562-T565 PolarHBondContact O-N 3.2Å; T565-G567 PolarHBondContact O-N 2.82Å; T565-V568 HydrophobicContact CG2-CB 4.42Å; T565-V568 HydrophobicContact CG2-CG2 3.87Å; T565-V568 PolarHBondContact O-N 3.11Å
566	S	63.6	Low	74.8	Confident	122 Å²	122	83.8 Å²	83.8	85%	0.853	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	134.4	179.6	-64.1	0	0	0	0	111
567	G	64.3	Low	73.9	Confident	89 Å²	89	87.2 Å²	87.2	92%	0.918	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.8	-0.6	-179.1	0	0	0	0	0	115.5	T565	T565-G567 PolarHBondContact O-N 2.82Å
568	V	74.9	Confident	73	Confident	79 Å²	79	85.2 Å²	85.2	48%	0.479	50%	0.495	S	S	.	.			trans	-117.7	135.9	177.7	-173.3	0	0	0	0	109.4	A562 T565	A562-V568 HydrophobicContact CB-CB 4.48Å; A562-V568 HydrophobicContact CB-CG1 3.76Å; T565-V568 HydrophobicContact CG2-CB 4.42Å; T565-V568 HydrophobicContact CG2-CG2 3.87Å; T565-V568 PolarHBondContact O-N 3.11Å
569	R	68.6	Low	72.4	Confident	222 Å²	222	88 Å²	88	84%	0.838	50%	0.503	S	S	*	.			trans	-122.9	146.1	178.3	-64.6	-177.1	-178.7	178	2.3	110.6
570	P	75.8	Confident	72.1	Confident	75 Å²	75	83 Å²	83	49%	0.487	48%	0.483	S	S	.	.	S	Bend	trans	-71	134.6	173.4	28.6	-33	0	0	0	111.3	E559	E559-P570 HydrophobicContact CG-CB 4.08Å
571	G	69.4	Low	72.1	Confident	77 Å²	77	87.6 Å²	87.6	79%	0.794	50%	0.496	S	S	*	.			trans	104.5	155.2	175.5	0	0	0	0	0	115.7
572	C	66.6	Low	72	Confident	54 Å²	54	83.1 Å²	83.1	37%	0.365	48%	0.483	S	S	.	.			trans	-152.7	136.3	177.2	-175.8	0	0	0	0	111.5	W490 C545	W490-C572 HydrophobicContact CH2-CB 4.43Å; W490-C572 HydrophobicContact CZ2-CB 4.03Å; C545-C572 HydrophobicContact CB-CB 3.53Å; C545-C572 WeakPolarHBondContact CB-SG 3.14Å; C545-C572 WeakPolarHBondContact SG-CB 3.36Å; C545-C572 CovalentContact SG-SG 2.01Å; C545-C572 PolarHBondContact SG-SG 3.07Å
573	A	58.9	Low	72.4	Confident	54 Å²	54	83.5 Å²	83.5	45%	0.446	49%	0.485	S	S	.	.			trans	-133.5	124.8	-170.8	0	0	0	0	0	113.9	N577	A573-N577 WeakPolarHBondContact CA-ND2 3.49Å; A573-N577 HydrophobicContact CB-CB 4.02Å; A573-N577 WeakPolarHBondContact CB-ND2 3.33Å
574	G	62.9	Low	72.9	Confident	27 Å²	27	81.8 Å²	81.8	28%	0.278	48%	0.479	S	S	.	.			trans	-89.1	-177.6	170.5	0	0	0	0	0	114	C576 N577 S578	G574-C576 PolarHBondContact O-N 3.21Å; G574-N577 WeakPolarHBondContact O-CA 3.32Å; G574-N577 WeakPolarHBondContact O-CB 3.46Å; G574-N577 PolarHBondContact O-N 2.99Å; G574-S578 PolarHBondContact O-N 2.99Å; G574-S578 VanDerWaalsContact O-N 3.16Å
575	H	63.9	Low	73.2	Confident	49 Å²	49	78.9 Å²	78.9	23%	0.227	47%	0.465	C	S	.	.	H	α-helix	trans	-64.5	-43.5	-172.8	-66.4	55	0	0	0	111.7	N577 S578 Y579 E591 Y596	H575-N577 PolarHBondContact O-N 2.78Å; H575-S578 PolarHBondContact O-N 2.94Å; H575-S578 VanDerWaalsContact O-N 3.16Å; H575-Y579 HydrophobicContact CB-CD2 4.14Å; H575-Y579 WeakPolarHBondContact O-CA 3.21Å; H575-Y579 WeakPolarHBondContact O-CB 3.35Å; H575-Y579 WeakPolarHBondContact O-CD2 3.44Å; H575-Y579 PolarHBondContact O-N 2.86Å; H575-E591 WeakPolarHBondContact CB-OE1 3.48Å; H575-E591 IonicContact CG-OE1 3.77Å; H575-E591 PolarHBondContact N-OE1 2.83Å; H575-E591 VanDerWaalsContact N-OE1 3.16Å; H575-E591 PolarHBondContact N-OE2 2.01Å; H575-E591 IonicContact ND1-OE1 3.13Å; H575-E591 PolarHBondContact ND1-OE1 2.84Å; H575-E591 VanDerWaalsContact ND1-OE1 3.13Å; H575-Y596 HydrophobicContact CB-CD1 4.46Å
576	C	74.9	Confident	73.6	Confident	36 Å²	36	79.6 Å²	79.6	24%	0.243	48%	0.483	C	S	.	.	H	α-helix	trans	-63.7	-20.8	173.3	-76.3	0	0	0	0	114	G574 G580 C589 E591	G574-C576 PolarHBondContact O-N 3.21Å; C576-G580 WeakPolarHBondContact O-CA 3.3Å; C576-G580 PolarHBondContact O-N 2.65Å; C576-C589 WeakPolarHBondContact CA-SG 3.39Å; C576-C589 HydrophobicContact CB-CB 3.81Å; C576-C589 WeakPolarHBondContact CB-SG 3.29Å; C576-C589 WeakPolarHBondContact SG-CB 3.32Å; C576-C589 CovalentContact SG-SG 2.04Å; C576-C589 PolarHBondContact SG-SG 3.41Å; C576-E591 PolarHBondContact N-OE2 3.01Å; C576-E591 PolarHBondContact SG-OE2 2.94Å
577	N	69.3	Low	74.9	Confident	120 Å²	120	74.4 Å²	74.4	64%	0.642	45%	0.45	S	S	*	.	H	α-helix	trans	-77.1	-37.7	173.5	-162.6	31.2	0	0	0	111.8	A573 G574 H575	A573-N577 WeakPolarHBondContact CA-ND2 3.49Å; A573-N577 HydrophobicContact CB-CB 4.02Å; A573-N577 WeakPolarHBondContact CB-ND2 3.33Å; G574-N577 WeakPolarHBondContact O-CA 3.32Å; G574-N577 WeakPolarHBondContact O-CB 3.46Å; G574-N577 PolarHBondContact O-N 2.99Å; H575-N577 PolarHBondContact O-N 2.78Å
578	S	64.9	Low	76	Confident	59 Å²	59	77.1 Å²	77.1	41%	0.413	44%	0.436	S	S	.	.	H	α-helix	trans	-81.5	-43.9	179.2	-61.7	0	0	0	0	113	G574 H575	G574-S578 PolarHBondContact O-N 2.99Å; G574-S578 VanDerWaalsContact O-N 3.16Å; H575-S578 PolarHBondContact O-N 2.94Å; H575-S578 VanDerWaalsContact O-N 3.16Å
579	Y	72.3	Confident	76.5	Confident	108 Å²	108	74.7 Å²	74.7	42%	0.424	42%	0.422	S	S	.	.	H	α-helix	trans	-112.8	-9.6	-170.8	-53.8	-76.6	0	0	0	113.9	H575 R581 N582 Y596	H575-Y579 HydrophobicContact CB-CD2 4.14Å; H575-Y579 WeakPolarHBondContact O-CA 3.21Å; H575-Y579 WeakPolarHBondContact O-CB 3.35Å; H575-Y579 WeakPolarHBondContact O-CD2 3.44Å; H575-Y579 PolarHBondContact O-N 2.86Å; Y579-R581 PolarHBondContact O-N 3Å; Y579-R581 VanDerWaalsContact O-N 3.07Å; Y579-N582 WeakPolarHBondContact O-CB 3.13Å; Y579-N582 VanDerWaalsContact O-CG 3.31Å; Y579-N582 PolarHBondContact O-N 2.92Å; Y579-N582 PolarHBondContact O-ND2 2.78Å; Y579-Y596 VanDerWaalsContact CB-CZ 3.5Å; Y579-Y596 HydrophobicContact CD1-CE1 4.47Å; Y579-Y596 HydrophobicContact CD2-CD1 4.32Å; Y579-Y596 HydrophobicContact CD2-CE1 4.2Å; Y579-Y596 HydrophobicContact CG-CD1 4.31Å; Y579-Y596 AromaticContact CG-CE1 3.78Å; Y579-Y596 HydrophobicContact CG-CE1 3.78Å
580	G	75.6	Confident	77.2	Confident	13 Å²	13	66.8 Å²	66.8	13%	0.134	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-60.7	-24	-177.9	0	0	0	0	0	113.9	C576 N582 C583	C576-G580 WeakPolarHBondContact O-CA 3.3Å; C576-G580 PolarHBondContact O-N 2.65Å; G580-N582 PolarHBondContact O-N 2.72Å; G580-N582 VanDerWaalsContact O-N 3.11Å; G580-C583 WeakPolarHBondContact O-CB 3.07Å; G580-C583 PolarHBondContact O-N 2.8Å
581	R	83	Confident	76.9	Confident	198 Å²	198	65.8 Å²	65.8	75%	0.747	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-59.4	-18	169.6	69	178.4	-179.6	178.5	-1.3	114	Y579 C583 Q584	Y579-R581 PolarHBondContact O-N 3Å; Y579-R581 VanDerWaalsContact O-N 3.07Å; R581-C583 VanDerWaalsContact C-N 3.29Å; R581-Q584 PolarHBondContact O-NE2 3.39Å
582	N	83.9	Confident	76.2	Confident	54 Å²	54	65.4 Å²	65.4	29%	0.289	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-72.9	-25.7	175.4	-64.7	-19.9	0	0	0	111.3	Y579 G580 Q584 Y596 F609	Y579-N582 WeakPolarHBondContact O-CB 3.13Å; Y579-N582 VanDerWaalsContact O-CG 3.31Å; Y579-N582 PolarHBondContact O-N 2.92Å; Y579-N582 PolarHBondContact O-ND2 2.78Å; G580-N582 PolarHBondContact O-N 2.72Å; G580-N582 VanDerWaalsContact O-N 3.11Å; N582-Q584 PolarHBondContact O-N 3.46Å; N582-Y596 PolarHBondContact ND2-OH 2.6Å; N582-F609 HydrophobicContact CB-CD1 3.93Å; N582-F609 HydrophobicContact CB-CE1 4.14Å; N582-F609 WeakPolarHBondContact O-CB 3.44Å
583	C	89.3	Confident	75.5	Confident	16 Å²	16	70.7 Å²	70.7	11%	0.108	38%	0.383	C	S	.	.	S	Bend	trans	-74.1	110.6	170.8	-53.8	0	0	0	0	109.5	G580 R581 C598	G580-C583 WeakPolarHBondContact O-CB 3.07Å; G580-C583 PolarHBondContact O-N 2.8Å; R581-C583 VanDerWaalsContact C-N 3.29Å; C583-C598 WeakPolarHBondContact CA-SG 3.17Å; C583-C598 HydrophobicContact CB-CB 3.74Å; C583-C598 WeakPolarHBondContact CB-SG 3.33Å; C583-C598 WeakPolarHBondContact SG-CA 3.05Å; C583-C598 WeakPolarHBondContact SG-CB 3.39Å; C583-C598 CovalentContact SG-SG 2.03Å; C583-C598 PolarHBondContact SG-SG 3.37Å
584	Q	90	Very high	75.2	Confident	84 Å²	84	68.8 Å²	68.8	39%	0.393	37%	0.365	S	S	.	.			trans	-101.8	172.2	-175.3	-66	-67.7	-24.1	0	0	111.7	R581 N582 G586 G587 F609 C610 K611	R581-Q584 PolarHBondContact O-NE2 3.39Å; N582-Q584 PolarHBondContact O-N 3.46Å; Q584-G586 VanDerWaalsContact C-N 3.32Å; Q584-G586 PolarHBondContact O-N 2.93Å; Q584-G587 PolarHBondContact O-N 3.18Å; Q584-F609 PolarHBondContact N-O 2.78Å; Q584-C610 VanDerWaalsContact O-CB 3.28Å; Q584-C610 WeakPolarHBondContact O-CB 3.45Å; Q584-K611 HydrophobicContact CB-CG 3.95Å; Q584-K611 HydrophobicContact CG-CD 4.41Å; Q584-K611 HydrophobicContact CG-CG 4.03Å
585	N	89.7	Confident	75.4	Confident	64 Å²	64	67.6 Å²	67.6	34%	0.342	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	44.5	168.1	-52.6	-46.7	0	0	0	115.2	G587 S603 Y605 C610	N585-G587 VanDerWaalsContact C-N 3.25Å; N585-G587 PolarHBondContact O-N 2.72Å; N585-S603 PolarHBondContact O-OG 2.79Å; N585-Y605 HydrophobicContact CB-CD1 4.18Å; N585-Y605 HydrophobicContact CB-CD2 3.26Å; N585-Y605 HydrophobicContact CB-CE1 4.33Å; N585-Y605 HydrophobicContact CB-CE2 3.47Å; N585-Y605 VanDerWaalsContact CB-CE2 3.47Å; N585-Y605 HydrophobicContact CB-CG 3.67Å; N585-Y605 VanDerWaalsContact ND2-CD1 3.33Å; N585-Y605 WeakPolarHBondContact ND2-CD1 3.39Å; N585-Y605 WeakPolarHBondContact ND2-CE1 3.16Å; N585-C610 PolarHBondContact ND2-O 2.87Å
586	G	84.8	Confident	75.8	Confident	71 Å²	71	65.9 Å²	65.9	73%	0.732	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	9.7	179.2	0	0	0	0	0	114.8	Q584	Q584-G586 VanDerWaalsContact C-N 3.32Å; Q584-G586 PolarHBondContact O-N 2.93Å
587	G	89.4	Confident	76.2	Confident	14 Å²	14	66.7 Å²	66.7	14%	0.144	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-62.8	133.9	169.1	0	0	0	0	0	111.7	Q584 N585 D599 C610	Q584-G587 PolarHBondContact O-N 3.18Å; N585-G587 VanDerWaalsContact C-N 3.25Å; N585-G587 PolarHBondContact O-N 2.72Å; G587-D599 WeakPolarHBondContact CA-O 3.49Å; G587-C610 VanDerWaalsContact CA-SG 3.57Å
588	K	89	Confident	77.1	Confident	145 Å²	145	61.8 Å²	61.8	63%	0.63	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	123.5	179.1	-177.2	-178.7	177.3	-173.5	0	109.6	V590 D599	K588-V590 PolarHBondContact O-N 2.79Å; K588-D599 HydrophobicContact CB-CB 4.38Å; K588-D599 PolarHBondContact N-O 2.86Å; K588-D599 PolarHBondContact O-N 3.4Å
589	C	85.5	Confident	78.3	Confident	28 Å²	28	61.8 Å²	61.8	19%	0.189	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	129.2	169.9	-171.2	0	0	0	0	109.9	C576	C576-C589 WeakPolarHBondContact CA-SG 3.39Å; C576-C589 HydrophobicContact CB-CB 3.81Å; C576-C589 WeakPolarHBondContact CB-SG 3.29Å; C576-C589 WeakPolarHBondContact SG-CB 3.32Å; C576-C589 CovalentContact SG-SG 2.04Å; C576-C589 PolarHBondContact SG-SG 3.41Å
590	V	82.6	Confident	79.3	Confident	57 Å²	57	57.3 Å²	57.3	35%	0.345	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	118.6	178.4	-178.2	0	0	0	0	107.9	K588 Y596 T597 D599	K588-V590 PolarHBondContact O-N 2.79Å; V590-Y596 WeakPolarHBondContact O-CA 3.06Å; V590-T597 PolarHBondContact N-O 2.93Å; V590-T597 PolarHBondContact O-N 2.98Å; V590-D599 HydrophobicContact CG2-CB 3.81Å
591	E	69.9	Low	79.8	Confident	54 Å²	54	61.3 Å²	61.3	25%	0.252	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	141.1	175.7	-159.5	77.4	-171.9	0	0	109.7	H575 C576	H575-E591 WeakPolarHBondContact CB-OE1 3.48Å; H575-E591 IonicContact CG-OE1 3.77Å; H575-E591 PolarHBondContact N-OE1 2.83Å; H575-E591 VanDerWaalsContact N-OE1 3.16Å; H575-E591 PolarHBondContact N-OE2 2.01Å; H575-E591 IonicContact ND1-OE1 3.13Å; H575-E591 PolarHBondContact ND1-OE1 2.84Å; H575-E591 VanDerWaalsContact ND1-OE1 3.13Å; C576-E591 PolarHBondContact N-OE2 3.01Å; C576-E591 PolarHBondContact SG-OE2 2.94Å
592	K	54.7	Low	79.8	Confident	69 Å²	69	56.6 Å²	56.6	30%	0.3	32%	0.315	S	S	.	.			trans	-116	163.2	171.9	-74.9	-179.9	168.4	175.9	0	109.5	D270 I594 G595 T597	D270-K592 IonicContact OD1-NZ 3.62Å; D270-K592 PolarHBondContact OD1-NZ 2.9Å; D270-K592 IonicContact OD2-NZ 3.85Å; D270-K592 PolarHBondContact OD2-NZ 2.81Å; K592-I594 WeakPolarHBondContact CB-O 3.32Å; K592-I594 PolarHBondContact O-N 2.88Å; K592-G595 PolarHBondContact N-O 2.92Å; K592-T597 HydrophobicContact CD-CG2 3.98Å; K592-T597 VanDerWaalsContact NZ-CG2 3.27Å
593	H	51.3	Low	80.1	Confident	164 Å²	164	54.1 Å²	54.1	76%	0.759	30%	0.301	S	S	*	.	S	Bend	trans	-54.3	-33.7	169.3	70.6	-67.7	0	0	0	112.3
594	I	52.9	Low	80.2	Confident	14 Å²	14	53.5 Å²	53.5	7%	0.072	30%	0.297	C	S	.	.	S	Bend	trans	-128.9	101.5	173.1	-64.6	167.6	0	0	0	106.1	Q275 S297 K592	Q275-I594 HydrophobicContact CG-CD1 4.44Å; S297-I594 VanDerWaalsContact OG-CG2 3.23Å; S297-I594 WeakPolarHBondContact OG-CG2 3.28Å; K592-I594 WeakPolarHBondContact CB-O 3.32Å; K592-I594 PolarHBondContact O-N 2.88Å
595	G	65.9	Low	80.3	Confident	3 Å²	3	51.3 Å²	51.3	3%	0.031	29%	0.286	C	S	.	.	S	Bend	trans	87.1	-151.6	173.6	0	0	0	0	0	116.9	H269 K592	H269-G595 VanDerWaalsContact NE2-CA 3.33Å; H269-G595 WeakPolarHBondContact NE2-CA 3.39Å; K592-G595 PolarHBondContact N-O 2.92Å
596	Y	74.1	Confident	80.3	Confident	13 Å²	13	49.9 Å²	49.9	5%	0.051	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	162.3	178.7	78.6	-79.7	0	0	0	112.6	H269 H575 Y579 N582 V590	H269-Y596 AromaticContact NE2-CD1 3.67Å; H269-Y596 PolarHBondContact NE2-N 3.39Å; H575-Y596 HydrophobicContact CB-CD1 4.46Å; Y579-Y596 VanDerWaalsContact CB-CZ 3.5Å; Y579-Y596 HydrophobicContact CD1-CE1 4.47Å; Y579-Y596 HydrophobicContact CD2-CD1 4.32Å; Y579-Y596 HydrophobicContact CD2-CE1 4.2Å; Y579-Y596 HydrophobicContact CG-CD1 4.31Å; Y579-Y596 AromaticContact CG-CE1 3.78Å; Y579-Y596 HydrophobicContact CG-CE1 3.78Å; N582-Y596 PolarHBondContact ND2-OH 2.6Å; V590-Y596 WeakPolarHBondContact O-CA 3.06Å
597	T	81.9	Confident	80.4	Confident	52 Å²	52	48.1 Å²	48.1	32%	0.319	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	156.8	170.5	46.9	0	0	0	0	112	V590 K592	V590-T597 PolarHBondContact N-O 2.93Å; V590-T597 PolarHBondContact O-N 2.98Å; K592-T597 HydrophobicContact CD-CG2 3.98Å; K592-T597 VanDerWaalsContact NZ-CG2 3.27Å
598	C	89.3	Confident	80.2	Confident	17 Å²	17	49.4 Å²	49.4	12%	0.115	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	113.1	171.8	-56.6	0	0	0	0	110.2	C583 C600 P608	C583-C598 WeakPolarHBondContact CA-SG 3.17Å; C583-C598 HydrophobicContact CB-CB 3.74Å; C583-C598 WeakPolarHBondContact CB-SG 3.33Å; C583-C598 WeakPolarHBondContact SG-CA 3.05Å; C583-C598 WeakPolarHBondContact SG-CB 3.39Å; C583-C598 CovalentContact SG-SG 2.03Å; C583-C598 PolarHBondContact SG-SG 3.37Å; C598-C600 PolarHBondContact O-N 2.87Å; C598-P608 VanDerWaalsContact CB-O 3.31Å; C598-P608 WeakPolarHBondContact CB-O 3.49Å; C598-P608 PolarHBondContact SG-O 2.88Å; C598-P608 VanDerWaalsContact SG-O 3.34Å
599	D	89.9	Confident	80.2	Confident	60 Å²	60	43.1 Å²	43.1	32%	0.321	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	107.3	169.3	177.9	10.6	0	0	0	109.7	G587 K588 V590 T601	G587-D599 WeakPolarHBondContact CA-O 3.49Å; K588-D599 HydrophobicContact CB-CB 4.38Å; K588-D599 PolarHBondContact N-O 2.86Å; K588-D599 PolarHBondContact O-N 3.4Å; V590-D599 HydrophobicContact CG2-CB 3.81Å; D599-T601 WeakPolarHBondContact OD1-CB 3.42Å; D599-T601 PolarHBondContact OD1-N 3.22Å; D599-T601 PolarHBondContact OD1-OG1 2.94Å
600	C	92	Very high	80.5	Confident	13 Å²	13	41.8 Å²	41.8	9%	0.088	23%	0.229	C	C	.	.			trans	-96.3	8.1	177.5	-42.7	0	0	0	0	112.9	C598 N602 S603 Y605 G607 C610 K792	C598-C600 PolarHBondContact O-N 2.87Å; C600-N602 VanDerWaalsContact C-N 3.29Å; C600-N602 PolarHBondContact O-N 2.81Å; C600-S603 WeakPolarHBondContact O-CB 3.37Å; C600-S603 PolarHBondContact O-N 2.82Å; C600-Y605 WeakPolarHBondContact CB-O 3.48Å; C600-G607 PolarHBondContact SG-O 3.33Å; C600-C610 WeakPolarHBondContact CA-SG 3.07Å; C600-C610 HydrophobicContact CB-CB 3.85Å; C600-C610 WeakPolarHBondContact CB-SG 3.29Å; C600-C610 WeakPolarHBondContact SG-CA 3.13Å; C600-C610 WeakPolarHBondContact SG-CB 3.5Å; C600-C610 PolarHBondContact SG-N 3.11Å; C600-C610 CovalentContact SG-SG 2.03Å; C600-C610 PolarHBondContact SG-SG 3Å; C600-K792 PolarHBondContact O-NZ 3.14Å
601	T	86.6	Confident	80.6	Confident	97 Å²	97	43.7 Å²	43.7	60%	0.595	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-45.9	-170.7	-58.7	0	0	0	0	112.2	D599 S603	D599-T601 WeakPolarHBondContact OD1-CB 3.42Å; D599-T601 PolarHBondContact OD1-N 3.22Å; D599-T601 PolarHBondContact OD1-OG1 2.94Å; T601-S603 VanDerWaalsContact C-N 3.35Å
602	N	82.6	Confident	81.3	Confident	99 Å²	99	44 Å²	44	53%	0.529	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	9.6	-178.5	-66.9	-24.1	0	0	0	113.7	C600 H787	C600-N602 VanDerWaalsContact C-N 3.29Å; C600-N602 PolarHBondContact O-N 2.81Å; N602-H787 VanDerWaalsContact CB-O 3.25Å; N602-H787 WeakPolarHBondContact CB-O 3.1Å
603	S	90.8	Very high	82.8	Confident	2 Å²	2	44 Å²	44	1%	0.014	23%	0.233	C	C	.	.	S	Bend	trans	-102.5	144.1	176.6	173.8	0	0	0	0	109.9	N585 C600 T601 Y605 K792	N585-S603 PolarHBondContact O-OG 2.79Å; C600-S603 WeakPolarHBondContact O-CB 3.37Å; C600-S603 PolarHBondContact O-N 2.82Å; T601-S603 VanDerWaalsContact C-N 3.35Å; S603-Y605 PolarHBondContact O-N 3.26Å; S603-Y605 PolarHBondContact OG-N 3Å; S603-K792 VanDerWaalsContact O-CD 3.24Å; S603-K792 WeakPolarHBondContact O-CD 3.39Å; S603-K792 PolarHBondContact O-NZ 2.9Å
604	P	92.2	Very high	84.7	Confident	3 Å²	3	36.2 Å²	36.2	2%	0.019	20%	0.198	C	C	.	.	S	Bend	trans	-75.3	14.7	171.7	36.1	-38.2	0	0	0	112.6	I614 Q784 A789	P604-I614 VanDerWaalsContact O-CB 3.26Å; P604-I614 WeakPolarHBondContact O-CB 3.27Å; P604-I614 VanDerWaalsContact O-CG1 3.26Å; P604-I614 WeakPolarHBondContact O-CG1 3.32Å; P604-I614 PolarHBondContact O-N 2.89Å; P604-I614 VanDerWaalsContact O-N 3.14Å; P604-Q784 HydrophobicContact CB-CB 4.34Å; P604-Q784 HydrophobicContact CG-CB 3.97Å; P604-A789 HydrophobicContact CB-CB 4.09Å
605	Y	92.1	Very high	86.6	Confident	39 Å²	39	35.9 Å²	35.9	15%	0.153	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	164.5	175.9	-60.5	-103.2	0	0	0	110.9	N585 C600 S603 C610 K612 E613 S782 K792	N585-Y605 HydrophobicContact CB-CD1 4.18Å; N585-Y605 HydrophobicContact CB-CD2 3.26Å; N585-Y605 HydrophobicContact CB-CE1 4.33Å; N585-Y605 HydrophobicContact CB-CE2 3.47Å; N585-Y605 VanDerWaalsContact CB-CE2 3.47Å; N585-Y605 HydrophobicContact CB-CG 3.67Å; N585-Y605 VanDerWaalsContact ND2-CD1 3.33Å; N585-Y605 WeakPolarHBondContact ND2-CD1 3.39Å; N585-Y605 WeakPolarHBondContact ND2-CE1 3.16Å; C600-Y605 WeakPolarHBondContact CB-O 3.48Å; S603-Y605 PolarHBondContact O-N 3.26Å; S603-Y605 PolarHBondContact OG-N 3Å; Y605-C610 WeakPolarHBondContact CB-O 3.33Å; Y605-K612 CarbonylContact C-O 3.53Å; Y605-K612 WeakPolarHBondContact CA-O 3.44Å; Y605-E613 HydrophobicContact CD1-CB 3.96Å; Y605-E613 HydrophobicContact CE1-CB 3.84Å; Y605-E613 HydrophobicContact CE1-CG 4.27Å; Y605-S782 PolarHBondContact OH-OG 3.17Å; Y605-S782 VanDerWaalsContact OH-OG 3.09Å; Y605-K792 PolarHBondContact O-NZ 3.02Å
606	E	89.8	Confident	87.7	Confident	33 Å²	33	35.7 Å²	35.7	15%	0.154	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	-173.6	176.6	71.3	177.9	-168.9	0	0	112.3	C610 K611 K612 I614 R796	E606-C610 CarbonylContact O-C 3.47Å; E606-C610 WeakPolarHBondContact O-CA 3.47Å; E606-K611 PolarHBondContact O-N 3.23Å; E606-K611 VanDerWaalsContact O-N 3.14Å; E606-K612 HydrophobicContact CG-CB 3.86Å; E606-K612 HydrophobicContact CG-CD 3.84Å; E606-K612 HydrophobicContact CG-CG 3.98Å; E606-K612 PolarHBondContact N-O 3.09Å; E606-K612 WeakPolarHBondContact O-CB 3.38Å; E606-K612 PolarHBondContact O-N 3.24Å; E606-K612 VanDerWaalsContact OE1-CD 3.31Å; E606-K612 WeakPolarHBondContact OE1-CD 3.26Å; E606-K612 WeakPolarHBondContact OE1-CE 3.36Å; E606-K612 IonicContact OE1-NZ 3.64Å; E606-K612 PolarHBondContact OE1-NZ 2.96Å; E606-I614 HydrophobicContact CB-CD1 4.13Å; E606-I614 VanDerWaalsContact CD-CD1 3.42Å; E606-I614 HydrophobicContact CG-CD1 3.67Å; E606-I614 WeakPolarHBondContact OE2-CD1 3.29Å; E606-R796 IonicContact OE1-NH2 2.71Å; E606-R796 PolarHBondContact OE1-NH2 3.04Å; E606-R796 IonicContact OE2-CZ 2.77Å; E606-R796 IonicContact OE2-NE 3.83Å; E606-R796 PolarHBondContact OE2-NE 3.07Å; E606-R796 VanDerWaalsContact OE2-NE 3.08Å; E606-R796 IonicContact OE2-NH2 2.91Å; E606-R796 PolarHBondContact OE2-NH2 3.24Å
607	G	85.3	Confident	88.4	Confident	34 Å²	34	35.9 Å²	35.9	35%	0.351	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.2	175	-175.7	0	0	0	0	0	112.9	C600 F609 C610	C600-G607 PolarHBondContact SG-O 3.33Å; G607-F609 PolarHBondContact O-N 2.92Å; G607-C610 PolarHBondContact O-N 2.8Å; G607-C610 VanDerWaalsContact O-N 3.16Å
608	P	85.5	Confident	88.8	Confident	42 Å²	42	33.6 Å²	33.6	27%	0.273	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-20.4	-171	23.7	-34	0	0	0	114.2	F254 A266 T267 C598	F254-P608 HydrophobicContact CZ-CG 4.12Å; A266-P608 HydrophobicContact CB-CB 4Å; A266-P608 HydrophobicContact CB-CG 4.26Å; T267-P608 HydrophobicContact CG2-CB 4.15Å; T267-P608 HydrophobicContact CG2-CG 4.2Å; C598-P608 VanDerWaalsContact CB-O 3.31Å; C598-P608 WeakPolarHBondContact CB-O 3.49Å; C598-P608 PolarHBondContact SG-O 2.88Å; C598-P608 VanDerWaalsContact SG-O 3.34Å
609	F	88.8	Confident	88.7	Confident	13 Å²	13	36 Å²	36	6%	0.057	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.8	11	-177	-58.6	-53.8	0	0	0	113	Y240 F254 T267 N582 Q584 G607 K611	Y240-F609 AromaticContact CD1-CE2 3.82Å; Y240-F609 HydrophobicContact CD1-CE2 3.82Å; Y240-F609 HydrophobicContact CD1-CZ 4.31Å; Y240-F609 HydrophobicContact CE1-CE2 4.46Å; Y240-F609 AromaticContact CG-CE2 3.95Å; Y240-F609 HydrophobicContact CG-CE2 3.95Å; F254-F609 HydrophobicContact CZ-CE2 4.27Å; T267-F609 HydrophobicContact CG2-CE2 3.89Å; T267-F609 HydrophobicContact CG2-CZ 3.74Å; N582-F609 HydrophobicContact CB-CD1 3.93Å; N582-F609 HydrophobicContact CB-CE1 4.14Å; N582-F609 WeakPolarHBondContact O-CB 3.44Å; Q584-F609 PolarHBondContact N-O 2.78Å; G607-F609 PolarHBondContact O-N 2.92Å; F609-K611 VanDerWaalsContact C-N 3.29Å; F609-K611 HydrophobicContact CB-CD 4.14Å; F609-K611 HydrophobicContact CB-CG 4.12Å; F609-K611 PolarHBondContact O-N 2.93Å
610	C	91.9	Very high	88.5	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	42.2	-175.6	-44.5	0	0	0	0	113.3	Q584 N585 G587 C600 Y605 E606 G607	Q584-C610 VanDerWaalsContact O-CB 3.28Å; Q584-C610 WeakPolarHBondContact O-CB 3.45Å; N585-C610 PolarHBondContact ND2-O 2.87Å; G587-C610 VanDerWaalsContact CA-SG 3.57Å; C600-C610 WeakPolarHBondContact CA-SG 3.07Å; C600-C610 HydrophobicContact CB-CB 3.85Å; C600-C610 WeakPolarHBondContact CB-SG 3.29Å; C600-C610 WeakPolarHBondContact SG-CA 3.13Å; C600-C610 WeakPolarHBondContact SG-CB 3.5Å; C600-C610 PolarHBondContact SG-N 3.11Å; C600-C610 CovalentContact SG-SG 2.03Å; C600-C610 PolarHBondContact SG-SG 3Å; Y605-C610 WeakPolarHBondContact CB-O 3.33Å; E606-C610 CarbonylContact O-C 3.47Å; E606-C610 WeakPolarHBondContact O-CA 3.47Å; G607-C610 PolarHBondContact O-N 2.8Å; G607-C610 VanDerWaalsContact O-N 3.16Å
611	K	86.1	Confident	88.3	Confident	96 Å²	96	36.9 Å²	36.9	42%	0.417	21%	0.205	S	C	.	.			trans	-106.4	-21.8	-178.4	-73.4	-179.8	179.2	171.8	0	113.8	Q584 E606 F609 E613	Q584-K611 HydrophobicContact CB-CG 3.95Å; Q584-K611 HydrophobicContact CG-CD 4.41Å; Q584-K611 HydrophobicContact CG-CG 4.03Å; E606-K611 PolarHBondContact O-N 3.23Å; E606-K611 VanDerWaalsContact O-N 3.14Å; F609-K611 VanDerWaalsContact C-N 3.29Å; F609-K611 HydrophobicContact CB-CD 4.14Å; F609-K611 HydrophobicContact CB-CG 4.12Å; F609-K611 PolarHBondContact O-N 2.93Å; K611-E613 PolarHBondContact O-N 2.94Å
612	K	84	Confident	88.5	Confident	60 Å²	60	32.3 Å²	32.3	26%	0.261	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	108.9	-179.2	-178.3	179.6	171	-152.7	0	108.2	Y605 E606	Y605-K612 CarbonylContact C-O 3.53Å; Y605-K612 WeakPolarHBondContact CA-O 3.44Å; E606-K612 HydrophobicContact CG-CB 3.86Å; E606-K612 HydrophobicContact CG-CD 3.84Å; E606-K612 HydrophobicContact CG-CG 3.98Å; E606-K612 PolarHBondContact N-O 3.09Å; E606-K612 WeakPolarHBondContact O-CB 3.38Å; E606-K612 PolarHBondContact O-N 3.24Å; E606-K612 VanDerWaalsContact OE1-CD 3.31Å; E606-K612 WeakPolarHBondContact OE1-CD 3.26Å; E606-K612 WeakPolarHBondContact OE1-CE 3.36Å; E606-K612 IonicContact OE1-NZ 3.64Å; E606-K612 PolarHBondContact OE1-NZ 2.96Å
613	E	86.8	Confident	89	Confident	69 Å²	69	27.6 Å²	27.6	32%	0.322	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	141	178.6	178.3	168.3	-159.9	0	0	111.3	Y605 K611 S781 S782	Y605-E613 HydrophobicContact CD1-CB 3.96Å; Y605-E613 HydrophobicContact CE1-CB 3.84Å; Y605-E613 HydrophobicContact CE1-CG 4.27Å; K611-E613 PolarHBondContact O-N 2.94Å; E613-S781 WeakPolarHBondContact OE1-CB 3.14Å; E613-S781 PolarHBondContact OE1-OG 3.03Å; E613-S782 WeakPolarHBondContact CG-OG 3.25Å; E613-S782 WeakPolarHBondContact OE1-CB 3.44Å; E613-S782 PolarHBondContact OE1-N 2.94Å; E613-S782 PolarHBondContact OE1-OG 2.93Å
614	I	91	Very high	89.2	Confident	2 Å²	2	27.6 Å²	27.6	1%	0.01	15%	0.152	C	C	.	.			trans	-92.8	125.6	170.7	-59	-63.8	0	0	0	109.4	P604 E606 S781 S782 L791 K792 L795	P604-I614 VanDerWaalsContact O-CB 3.26Å; P604-I614 WeakPolarHBondContact O-CB 3.27Å; P604-I614 VanDerWaalsContact O-CG1 3.26Å; P604-I614 WeakPolarHBondContact O-CG1 3.32Å; P604-I614 PolarHBondContact O-N 2.89Å; P604-I614 VanDerWaalsContact O-N 3.14Å; E606-I614 HydrophobicContact CB-CD1 4.13Å; E606-I614 VanDerWaalsContact CD-CD1 3.42Å; E606-I614 HydrophobicContact CG-CD1 3.67Å; E606-I614 WeakPolarHBondContact OE2-CD1 3.29Å; I614-S781 WeakPolarHBondContact O-CA 3.02Å; I614-S782 PolarHBondContact O-N 2.91Å; I614-L791 HydrophobicContact CG2-CG 4.39Å; I614-K792 HydrophobicContact CB-CB 4.47Å; I614-K792 HydrophobicContact CD1-CG 4.44Å; I614-K792 HydrophobicContact CG1-CB 4.17Å; I614-K792 HydrophobicContact CG1-CD 4.14Å; I614-K792 HydrophobicContact CG1-CG 4.03Å; I614-K792 HydrophobicContact CG2-CB 4.16Å; I614-L795 HydrophobicContact CG2-CD1 3.58Å
615	S	91.1	Very high	89.2	Confident	6 Å²	6	28.1 Å²	28.1	4%	0.042	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	148.6	-176.2	9.7	0	0	0	0	111.7	L780 E811 S812 C814	S615-L780 CarbonylContact C-O 3.43Å; S615-L780 WeakPolarHBondContact CA-O 3.35Å; S615-E811 WeakPolarHBondContact O-CA 3.4Å; S615-S812 CarbonylContact C-O 3.5Å; S615-S812 WeakPolarHBondContact CB-O 3.18Å; S615-S812 PolarHBondContact O-N 2.98Å; S615-S812 PolarHBondContact OG-O 3.04Å; S615-C814 WeakPolarHBondContact CB-SG 3.47Å
616	A	90.5	Very high	89.2	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	149.4	176	0	0	0	0	0	112.9	F618 C779 L780 L791 L795 L809 T810	A616-F618 HydrophobicContact CB-CE2 4.36Å; A616-C779 WeakPolarHBondContact O-CA 3.34Å; A616-C779 PolarHBondContact O-SG 2.87Å; A616-C779 VanDerWaalsContact O-SG 3.41Å; A616-L780 PolarHBondContact N-O 2.81Å; A616-L780 PolarHBondContact O-N 2.74Å; A616-L791 HydrophobicContact CB-CD1 3.93Å; A616-L791 HydrophobicContact CB-CD2 4.46Å; A616-L795 HydrophobicContact CB-CD1 4.24Å; A616-L795 HydrophobicContact CB-CD2 4.31Å; A616-L809 HydrophobicContact CB-CD1 3.63Å; A616-L809 HydrophobicContact CB-CG 4.06Å; A616-T810 CarbonylContact C-O 3.11Å; A616-T810 VanDerWaalsContact CA-O 3.24Å; A616-T810 WeakPolarHBondContact CA-O 2.86Å
617	L	87.6	Confident	89.2	Confident	17 Å²	17	31 Å²	31	9%	0.089	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	134.4	168	-69.2	163.6	0	0	0	110.7	Y619 G778 C779 T810 I818	L617-Y619 HydrophobicContact CB-CE2 4.42Å; L617-G778 CarbonylContact C-O 3.57Å; L617-G778 WeakPolarHBondContact CA-O 3.2Å; L617-C779 HydrophobicContact CD2-CB 3.83Å; L617-T810 PolarHBondContact N-O 3.44Å; L617-T810 PolarHBondContact O-N 3.12Å; L617-I818 HydrophobicContact CD1-CD1 4.45Å
618	F	91.3	Very high	89.3	Confident	3 Å²	3	31.6 Å²	31.6	1%	0.013	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128.6	173.8	-74.9	-109.8	0	0	0	108.7	A616 T622 V624 L755 F776 V777 G778 L780 L791 L809	A616-F618 HydrophobicContact CB-CE2 4.36Å; F618-T622 HydrophobicContact CD1-CG2 3.8Å; F618-T622 HydrophobicContact CE1-CG2 4.32Å; F618-T622 HydrophobicContact CG-CG2 4.41Å; F618-V624 HydrophobicContact CE1-CB 4.33Å; F618-V624 HydrophobicContact CE1-CG2 3.76Å; F618-V624 HydrophobicContact CZ-CB 4.48Å; F618-V624 HydrophobicContact CZ-CG2 3.87Å; F618-L755 HydrophobicContact CE1-CB 3.91Å; F618-L755 HydrophobicContact CZ-CB 3.92Å; F618-L755 HydrophobicContact CZ-CD1 4.41Å; F618-F776 HydrophobicContact CB-CD1 3.74Å; F618-F776 HydrophobicContact CB-CE1 4.44Å; F618-F776 WeakPolarHBondContact CB-O 3.22Å; F618-F776 HydrophobicContact CD2-CD1 4.17Å; F618-F776 AromaticContact CG-CD1 3.93Å; F618-F776 HydrophobicContact CG-CD1 3.93Å; F618-V777 WeakPolarHBondContact O-CA 3.47Å; F618-G778 PolarHBondContact N-O 2.88Å; F618-G778 PolarHBondContact O-N 2.86Å; F618-L780 HydrophobicContact CD2-CB 4.27Å; F618-L780 HydrophobicContact CD2-CD1 4.2Å; F618-L780 HydrophobicContact CD2-CG 4.14Å; F618-L780 HydrophobicContact CE1-CD1 4.44Å; F618-L780 HydrophobicContact CE2-CB 3.86Å; F618-L780 HydrophobicContact CE2-CD1 3.75Å; F618-L780 HydrophobicContact CE2-CG 3.98Å; F618-L780 HydrophobicContact CZ-CD1 3.89Å; F618-L791 HydrophobicContact CE2-CD1 3.94Å; F618-L791 HydrophobicContact CZ-CD1 3.97Å; F618-L809 HydrophobicContact CD1-CD1 4.36Å; F618-L809 HydrophobicContact CD2-CD1 3.94Å; F618-L809 HydrophobicContact CE1-CD1 4.06Å; F618-L809 HydrophobicContact CE2-CD1 3.59Å; F618-L809 HydrophobicContact CG-CD1 4.3Å; F618-L809 HydrophobicContact CZ-CD1 3.66Å
619	Y	87.4	Confident	88.4	Confident	68 Å²	68	36.4 Å²	36.4	27%	0.267	18%	0.182	S	C	.	.			trans	-99.8	168.4	173.1	-59.6	-91.2	0	0	0	110.4	L617 G621 T622 T808 T810	L617-Y619 HydrophobicContact CB-CE2 4.42Å; Y619-G621 PolarHBondContact O-N 2.87Å; Y619-T622 PolarHBondContact N-OG1 2.95Å; Y619-T622 VanDerWaalsContact N-OG1 3.07Å; Y619-T622 WeakPolarHBondContact O-CB 3.15Å; Y619-T622 PolarHBondContact O-N 3.4Å; Y619-T622 PolarHBondContact O-OG1 2.78Å; Y619-T808 HydrophobicContact CD2-CG2 3.9Å; Y619-T808 WeakPolarHBondContact CD2-O 2.95Å; Y619-T808 HydrophobicContact CE2-CG2 3.87Å; Y619-T810 HydrophobicContact CE2-CG2 4.29Å
620	S	85.7	Confident	86.8	Confident	60 Å²	60	42.4 Å²	42.4	42%	0.42	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	129.8	175.4	-172.5	0	0	0	0	111.1	T622	S620-T622 VanDerWaalsContact C-N 3.29Å; S620-T622 PolarHBondContact O-N 2.7Å
621	G	86.9	Confident	84.3	Confident	31 Å²	31	47.4 Å²	47.4	32%	0.32	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	-6.9	-178	0	0	0	0	0	116	Y619 S623 L774	Y619-G621 PolarHBondContact O-N 2.87Å; G621-S623 PolarHBondContact O-N 3.22Å; G621-L774 PolarHBondContact N-O 3.39Å
622	T	91.6	Very high	81.6	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.006	26%	0.259	C	S	.	.			trans	-68.1	131.9	178	-51.7	0	0	0	0	110.2	F618 Y619 S620 G756 K757 Q806 T808 L809	F618-T622 HydrophobicContact CD1-CG2 3.8Å; F618-T622 HydrophobicContact CE1-CG2 4.32Å; F618-T622 HydrophobicContact CG-CG2 4.41Å; Y619-T622 PolarHBondContact N-OG1 2.95Å; Y619-T622 VanDerWaalsContact N-OG1 3.07Å; Y619-T622 WeakPolarHBondContact O-CB 3.15Å; Y619-T622 PolarHBondContact O-N 3.4Å; Y619-T622 PolarHBondContact O-OG1 2.78Å; S620-T622 VanDerWaalsContact C-N 3.29Å; S620-T622 PolarHBondContact O-N 2.7Å; T622-G756 CarbonylContact O-C 3.42Å; T622-G756 WeakPolarHBondContact O-CA 3.4Å; T622-K757 PolarHBondContact O-N 3.1Å; T622-Q806 CarbonylContact C-O 3.53Å; T622-Q806 WeakPolarHBondContact CA-O 2.88Å; T622-T808 VanDerWaalsContact CG2-O 3.23Å; T622-T808 WeakPolarHBondContact CG2-O 3.19Å; T622-T808 PolarHBondContact OG1-O 3.26Å; T622-L809 HydrophobicContact CG2-CB 4.34Å; T622-L809 HydrophobicContact CG2-CD1 4.38Å
623	S	93.7	Very high	79.4	Confident	1 Å²	1	55 Å²	55	1%	0.007	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	131	179.5	-173.8	0	0	0	0	110.4	G621 L755 K757 V805 Q806	G621-S623 PolarHBondContact O-N 3.22Å; S623-L755 WeakPolarHBondContact CA-O 3.39Å; S623-K757 WeakPolarHBondContact CB-O 3.25Å; S623-K757 PolarHBondContact OG-O 2.84Å; S623-V805 WeakPolarHBondContact O-CA 3.43Å; S623-Q806 PolarHBondContact N-O 2.82Å; S623-Q806 PolarHBondContact O-N 2.73Å
624	V	94.4	Very high	76.9	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.006	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	117.6	170.2	174.9	0	0	0	0	107.4	F618 I754 L755 A794 V803 V805 L809	F618-V624 HydrophobicContact CE1-CB 4.33Å; F618-V624 HydrophobicContact CE1-CG2 3.76Å; F618-V624 HydrophobicContact CZ-CB 4.48Å; F618-V624 HydrophobicContact CZ-CG2 3.87Å; V624-I754 CarbonylContact O-C 3.51Å; V624-I754 VanDerWaalsContact O-CA 3.31Å; V624-I754 WeakPolarHBondContact O-CA 3.5Å; V624-L755 HydrophobicContact CB-CB 4.22Å; V624-L755 PolarHBondContact N-O 3.45Å; V624-L755 PolarHBondContact O-N 2.93Å; V624-A794 HydrophobicContact CG1-CB 3.52Å; V624-A794 HydrophobicContact CG2-CB 4.27Å; V624-V803 HydrophobicContact CG1-CG1 4.13Å; V624-V805 HydrophobicContact CG2-CG1 4.34Å; V624-V805 HydrophobicContact CG2-CG2 4.35Å; V624-L809 HydrophobicContact CG2-CD1 4.18Å; V624-L809 HydrophobicContact CG2-CD2 3.84Å
625	T	92.8	Very high	74.2	Confident	15 Å²	15	63.7 Å²	63.7	9%	0.092	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	123.1	-178.9	-61.6	0	0	0	0	110.3	M627 L753 I754 V803 T804	T625-M627 HydrophobicContact CG2-CG 4.47Å; T625-M627 HydrophobicContact CG2-SD 3.92Å; T625-L753 CarbonylContact C-O 3.59Å; T625-L753 WeakPolarHBondContact CA-O 3.48Å; T625-I754 HydrophobicContact CG2-CG1 4.05Å; T625-V803 WeakPolarHBondContact O-CA 3.49Å; T625-T804 WeakPolarHBondContact CB-OG1 3.46Å; T625-T804 PolarHBondContact N-O 3.24Å; T625-T804 PolarHBondContact O-N 2.82Å; T625-T804 PolarHBondContact O-OG1 2.87Å
626	Y	92.1	Very high	71.4	Confident	37 Å²	37	73.1 Å²	73.1	15%	0.145	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	124	172.8	-170.1	-73.4	0	0	0	109.3	F628 S752 L753 I788 P790 A793 P802 V803	Y626-F628 HydrophobicContact CD1-CD2 4.34Å; Y626-F628 HydrophobicContact CD1-CE2 4.24Å; Y626-F628 HydrophobicContact CD1-CZ 4.41Å; Y626-F628 HydrophobicContact CE1-CD1 4.46Å; Y626-S752 CarbonylContact O-C 3.5Å; Y626-S752 VanDerWaalsContact O-CA 3.26Å; Y626-S752 WeakPolarHBondContact O-CA 3.48Å; Y626-S752 WeakPolarHBondContact O-CB 3.22Å; Y626-L753 PolarHBondContact N-O 3.13Å; Y626-L753 PolarHBondContact O-N 3.38Å; Y626-I788 HydrophobicContact CD1-CG2 4.42Å; Y626-I788 HydrophobicContact CD2-CG2 4Å; Y626-I788 HydrophobicContact CE1-CD1 3.93Å; Y626-I788 HydrophobicContact CE1-CG2 3.95Å; Y626-I788 HydrophobicContact CE2-CG2 3.49Å; Y626-I788 VanDerWaalsContact CE2-CG2 3.49Å; Y626-I788 HydrophobicContact CG-CG2 4.47Å; Y626-I788 VanDerWaalsContact CZ-CG2 3.46Å; Y626-P790 HydrophobicContact CD2-CB 3.95Å; Y626-P790 HydrophobicContact CG-CB 4.23Å; Y626-A793 HydrophobicContact CE2-CB 4.31Å; Y626-P802 HydrophobicContact CD2-CG 4.43Å; Y626-P802 HydrophobicContact CE1-CB 4.25Å; Y626-P802 HydrophobicContact CE1-CG 4Å; Y626-P802 HydrophobicContact CE2-CG 3.69Å; Y626-P802 VanDerWaalsContact CZ-CG 3.42Å; Y626-P802 WeakPolarHBondContact OH-CG 3.32Å; Y626-V803 HydrophobicContact CD2-CG2 3.29Å; Y626-V803 HydrophobicContact CE2-CG2 3.74Å; Y626-V803 HydrophobicContact CG-CG2 4.14Å
627	M	89.4	Confident	68.6	Low	94 Å²	94	80.3 Å²	80.3	46%	0.463	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	124	179.9	-62.7	-63	-68	0	0	110.7	T625 P802	T625-M627 HydrophobicContact CG2-CG 4.47Å; T625-M627 HydrophobicContact CG2-SD 3.92Å; M627-P802 PolarHBondContact N-O 3.09Å; M627-P802 WeakPolarHBondContact O-CB 3.31Å
628	F	85.8	Confident	66.3	Low	48 Å²	48	85.4 Å²	85.4	21%	0.211	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-79	124.6	173.1	-64.4	-99.1	0	0	0	108.3	Y626 E630 V750 R751 L753 Y785 I788	Y626-F628 HydrophobicContact CD1-CD2 4.34Å; Y626-F628 HydrophobicContact CD1-CE2 4.24Å; Y626-F628 HydrophobicContact CD1-CZ 4.41Å; Y626-F628 HydrophobicContact CE1-CD1 4.46Å; F628-E630 PolarHBondContact O-N 2.04Å; F628-V750 HydrophobicContact CD2-CB 4.4Å; F628-V750 HydrophobicContact CD2-CG1 3.79Å; F628-V750 HydrophobicContact CE2-CB 4.22Å; F628-V750 HydrophobicContact CE2-CG1 3.43Å; F628-V750 VanDerWaalsContact CE2-CG1 3.43Å; F628-V750 HydrophobicContact CZ-CG1 4.09Å; F628-R751 WeakPolarHBondContact CD2-O 3.29Å; F628-R751 PolarHBondContact N-O 3.46Å; F628-L753 HydrophobicContact CE2-CB 3.95Å; F628-L753 HydrophobicContact CZ-CB 4.45Å; F628-Y785 AromaticContact CE1-CD1 3.9Å; F628-Y785 HydrophobicContact CE1-CD1 3.9Å; F628-Y785 AromaticContact CE1-CE1 3.85Å; F628-Y785 HydrophobicContact CE1-CE1 3.85Å; F628-Y785 AromaticContact CZ-CD1 3.56Å; F628-Y785 HydrophobicContact CZ-CD1 3.56Å; F628-Y785 AromaticContact CZ-CE1 3.67Å; F628-Y785 HydrophobicContact CZ-CE1 3.67Å; F628-I788 HydrophobicContact CD1-CD1 3.9Å; F628-I788 HydrophobicContact CE1-CD1 3.34Å; F628-I788 HydrophobicContact CZ-CD1 4.17Å
629	Q	68.3	Low	64	Low	143 Å²	143	90.2 Å²	90.2	67%	0.668	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-65.1	123	178.6	-73.7	-176.5	-19	0	0	109.8
630	E	54.3	Low	61.5	Low	139 Å²	139	94.4 Å²	94.4	65%	0.65	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-64.4	137.5	166.3	-71.2	-176.7	171.7	0	0	108.8	F628 Y632	F628-E630 PolarHBondContact O-N 2.04Å; E630-Y632 PolarHBondContact O-N 3.49Å
631	P	39.2	Very low	59.5	Low	105 Å²	105	97.8 Å²	97.8	68%	0.682	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-60.2	117.3	170.8	23.7	-29.6	0	0	0	108.4
632	Y	30.8	Very low	56.8	Low	198 Å²	198	101.6 Å²	101.6	78%	0.776	56%	0.557	S	S	*	*			trans	-44.3	126.7	-180	-76.5	-93.3	0	0	0	111.5	E630 V634	E630-Y632 PolarHBondContact O-N 3.49Å; Y632-V634 PolarHBondContact O-N 2.81Å
633	P	36.9	Very low	54	Low	116 Å²	116	105.9 Å²	105.9	75%	0.753	59%	0.587	S	S	*	*			trans	-70.5	103.8	166.2	27.8	-28.9	0	0	0	107.2	T635	P633-T635 PolarHBondContact O-N 3.47Å
634	V	33.2	Very low	51.1	Low	125 Å²	125	111 Å²	111	76%	0.758	63%	0.63	S	S	*	*			trans	-54.3	117.6	164.5	-179.1	0	0	0	0	106.5	Y632 K636	Y632-V634 PolarHBondContact O-N 2.81Å; V634-K636 PolarHBondContact O-N 2.8Å
635	T	35.3	Very low	48.3	Very low	130 Å²	130	117 Å²	117	80%	0.798	66%	0.661	S	S	*	*			trans	-45.8	100.3	178.1	43.7	0	0	0	0	110.8	P633	P633-T635 PolarHBondContact O-N 3.47Å
636	K	32.8	Very low	45.6	Very low	203 Å²	203	126.8 Å²	126.8	88%	0.883	70%	0.697	S	S	*	*			trans	-97.9	111.1	164.2	-100.2	-173	176.8	179.7	0	108.5	V634 T638	V634-K636 PolarHBondContact O-N 2.8Å; K636-T638 PolarHBondContact O-N 2.84Å
637	N	30.4	Very low	43	Very low	151 Å²	151	132.9 Å²	132.9	81%	0.807	73%	0.725	S	S	*	*			trans	-55.8	132.5	166.9	-79.6	-25.7	0	0	0	110.6
638	T	40.5	Very low	41.1	Very low	124 Å²	124	133.8 Å²	133.8	76%	0.761	73%	0.731	S	S	*	*	S	Bend	trans	21.4	132.7	149.9	-12	0	0	0	0	120.6	K636	K636-T638 PolarHBondContact O-N 2.84Å
639	S	42.1	Very low	39.7	Very low	104 Å²	104	137.5 Å²	137.5	73%	0.727	76%	0.758	S	S	*	*			trans	69.5	94.7	155.2	66.4	0	0	0	0	117.5
640	L	34.6	Very low	39.5	Very low	157 Å²	157	131.5 Å²	131.5	82%	0.822	73%	0.733	S	S	*	*	S	Bend		178	138.2	126.8	-92	149.9	0	0	0	107.5	S642	L640-S642 PolarHBondContact O-N 2.8Å; L640-S642 PolarHBondContact O-OG 3.22Å
641	S	44.3	Very low	40.1	Very low	131 Å²	131	127.4 Å²	127.4	92%	0.916	72%	0.718	S	S	*	*			trans	-38.2	104.8	175.3	-166.9	0	0	0	0	111
642	S	30.5	Very low	41.6	Very low	111 Å²	111	126.6 Å²	126.6	78%	0.776	72%	0.716	S	S	*	*			trans	-108.2	106.4	-173.4	-63	0	0	0	0	109.4	L640	L640-S642 PolarHBondContact O-N 2.8Å; L640-S642 PolarHBondContact O-OG 3.22Å
643	S	32	Very low	44.1	Very low	90 Å²	90	123 Å²	123	63%	0.629	70%	0.704	S	S	*	*			trans	-35.2	148.1	167.3	22.4	0	0	0	0	116.2	I645	S643-I645 PolarHBondContact O-N 2.96Å
644	A	33.6	Very low	46.6	Very low	110 Å²	110	117.7 Å²	117.7	91%	0.909	67%	0.669	S	S	*	*	S	Bend	trans	-57.2	82.7	172.1	0	0	0	0	0	113.9
645	I	36.3	Very low	49.3	Very low	126 Å²	126	113.5 Å²	113.5	65%	0.646	65%	0.648	S	S	*	*			trans	-121.8	-7.6	-179.6	-60.3	-178.8	0	0	0	114	S643	S643-I645 PolarHBondContact O-N 2.96Å
646	Y	34.8	Very low	52.2	Low	221 Å²	221	107.4 Å²	107.4	87%	0.867	61%	0.61	S	S	*	*			trans	-130.2	80.6	167.3	-73.3	-87.8	0	0	0	110
647	K	37.8	Very low	55.1	Low	164 Å²	164	99.1 Å²	99.1	71%	0.713	58%	0.576	S	S	*	*			trans	-76.7	117.7	153	-100.3	-169.9	171.7	-165.7	0	105.5	T649	K647-T649 PolarHBondContact O-N 2.91Å; K647-T649 PolarHBondContact O-OG1 2.95Å
648	D	49.3	Very low	58.2	Low	114 Å²	114	92 Å²	92	61%	0.61	54%	0.538	S	S	*	.			trans	-62.5	86.8	167.7	-94.3	-27.7	0	0	0	108.6	A650 T749	D648-A650 PolarHBondContact O-N 2.87Å; D648-T749 HydrophobicContact CB-CG2 4.05Å
649	T	56.3	Low	60.7	Low	125 Å²	125	86.3 Å²	86.3	77%	0.767	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-73.3	121.3	176.8	-12.3	0	0	0	0	108.4	K647	K647-T649 PolarHBondContact O-N 2.91Å; K647-T649 PolarHBondContact O-OG1 2.95Å
650	A	63.2	Low	63.1	Low	18 Å²	18	81.5 Å²	81.5	15%	0.149	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-54.7	151.5	173.9	0	0	0	0	0	111.6	D648 S652 F747	D648-A650 PolarHBondContact O-N 2.87Å; A650-S652 PolarHBondContact O-N 2.75Å; A650-F747 HydrophobicContact CB-CB 3.71Å; A650-F747 WeakPolarHBondContact CB-O 3.42Å
651	P	67.3	Low	65.8	Low	52 Å²	52	74.4 Å²	74.4	34%	0.338	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-58.1	136.7	178.9	24.1	-33.3	0	0	0	110.8	K653 E654 R723	P651-K653 PolarHBondContact O-N 3.2Å; P651-E654 HydrophobicContact CG-CG 3.77Å; P651-R723 PolarHBondContact O-NH2 2.86Å
652	S	70.6	Confident	67.9	Low	89 Å²	89	68.1 Å²	68.1	62%	0.622	39%	0.389	S	S	*	.	S	Bend	trans	-64	-24	177	52.8	0	0	0	0	112.3	A650 G725	A650-S652 PolarHBondContact O-N 2.75Å; S652-G725 PolarHBondContact O-N 3.16Å
653	K	84.3	Confident	70.6	Confident	121 Å²	121	64.9 Å²	64.9	53%	0.526	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	135.6	176.5	-55.6	-165.9	-171.6	-146	0	112	P651 R723 D724	P651-K653 PolarHBondContact O-N 3.2Å; K653-R723 CarbonylContact C-O 3.42Å; K653-R723 VanDerWaalsContact CA-O 3.22Å; K653-R723 WeakPolarHBondContact CA-O 3.32Å; K653-D724 VanDerWaalsContact CE-CG 3.48Å; K653-D724 WeakPolarHBondContact CE-OD1 3.26Å; K653-D724 VanDerWaalsContact CE-OD2 3.22Å; K653-D724 WeakPolarHBondContact CE-OD2 3.43Å; K653-D724 HydrophobicContact CG-CB 4.43Å; K653-D724 WeakPolarHBondContact CG-OD1 3.2Å; K653-D724 IonicContact NZ-OD1 3.62Å; K653-D724 IonicContact NZ-OD2 3.47Å; K653-D724 PolarHBondContact NZ-OD2 2.82Å
654	E	88.3	Confident	73.3	Confident	5 Å²	5	63 Å²	63	2%	0.023	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	138.6	174.4	-67.2	177.5	126.7	0	0	110.1	P651 S722 R723 Y785 N786	P651-E654 HydrophobicContact CG-CG 3.77Å; E654-S722 CarbonylContact O-C 3.59Å; E654-S722 VanDerWaalsContact O-CA 3.29Å; E654-S722 WeakPolarHBondContact O-CA 3.04Å; E654-R723 HydrophobicContact CB-CB 4.42Å; E654-R723 VanDerWaalsContact CD-NH2 3.3Å; E654-R723 PolarHBondContact N-O 2.92Å; E654-R723 PolarHBondContact O-N 3.16Å; E654-R723 IonicContact OE2-CZ 2.87Å; E654-R723 VanDerWaalsContact OE2-CZ 3.29Å; E654-R723 IonicContact OE2-NE 3.71Å; E654-R723 PolarHBondContact OE2-NE 3.21Å; E654-R723 IonicContact OE2-NH2 3.92Å; E654-R723 PolarHBondContact OE2-NH2 2.98Å; E654-Y785 PolarHBondContact OE1-OH 3.26Å; E654-N786 WeakPolarHBondContact CA-OD1 3.27Å
655	A	91.9	Very high	76	Confident	38 Å²	38	59.6 Å²	59.6	31%	0.314	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	130.5	176.5	0	0	0	0	0	110.5	M721 Y785 N786	A655-M721 CarbonylContact C-O 3.48Å; A655-M721 WeakPolarHBondContact CA-O 3.41Å; A655-Y785 WeakPolarHBondContact O-CA 3.38Å; A655-N786 PolarHBondContact N-OD1 2.82Å; A655-N786 PolarHBondContact O-N 3.36Å; A655-N786 PolarHBondContact O-OD1 2.06Å
656	I	94.4	Very high	78.7	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	130.8	176.5	-44.7	-170	0	0	0	107.6	L670 L672 L680 I682 K720 M721 Q784 Y785	I656-L670 HydrophobicContact CG2-CD1 3.91Å; I656-L672 HydrophobicContact CD1-CD1 3.81Å; I656-L680 HydrophobicContact CD1-CD1 4.15Å; I656-L680 HydrophobicContact CD1-CD2 4.3Å; I656-I682 HydrophobicContact CG2-CD1 4.26Å; I656-K720 CarbonylContact O-C 3.54Å; I656-K720 WeakPolarHBondContact O-CA 3.22Å; I656-M721 HydrophobicContact CB-CB 4.31Å; I656-M721 HydrophobicContact CD1-CE 4.35Å; I656-M721 HydrophobicContact CD1-SD 4.13Å; I656-M721 HydrophobicContact CG1-SD 4.44Å; I656-M721 PolarHBondContact N-O 3.43Å; I656-M721 PolarHBondContact O-N 3.32Å; I656-Q784 CarbonylContact C-O 3.52Å; I656-Q784 WeakPolarHBondContact CA-O 3.28Å; I656-Y785 HydrophobicContact CD1-CD2 4.02Å; I656-Y785 HydrophobicContact CD1-CE2 4.23Å; I656-Y785 HydrophobicContact CG1-CD2 3.82Å; I656-Y785 HydrophobicContact CG1-CE2 4.21Å
657	T	94.7	Very high	81.5	Confident	28 Å²	28	45.2 Å²	45.2	17%	0.172	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	133.2	171.4	-56.8	0	0	0	0	108.3	V719 K720 V783 Q784	T657-V719 WeakPolarHBondContact CA-O 3.45Å; T657-K720 HydrophobicContact CG2-CB 4.45Å; T657-V783 CarbonylContact O-C 3.58Å; T657-V783 WeakPolarHBondContact O-CA 3.32Å; T657-Q784 PolarHBondContact N-O 3.09Å; T657-Q784 PolarHBondContact O-N 2.82Å
658	L	94.9	Very high	84.2	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	146	171.5	65.9	95.8	0	0	0	109.2	F660 L669 L670 I682 V719 L780 V783	L658-F660 HydrophobicContact CD1-CB 4.21Å; L658-F660 HydrophobicContact CD1-CD1 3.78Å; L658-F660 HydrophobicContact CD1-CG 4.43Å; L658-L669 HydrophobicContact CD1-CD1 4.41Å; L658-L670 HydrophobicContact CD2-CB 4.05Å; L658-L670 HydrophobicContact CD2-CD1 3.93Å; L658-I682 HydrophobicContact CD2-CD1 4.16Å; L658-V719 HydrophobicContact CG-CB 4.45Å; L658-V719 PolarHBondContact N-O 2.78Å; L658-V719 PolarHBondContact O-N 2.91Å; L658-L780 HydrophobicContact CD1-CD2 4.49Å; L658-V783 HydrophobicContact CB-CG1 4.36Å; L658-V783 HydrophobicContact CB-CG2 4.12Å
659	S	93.6	Very high	86.4	Confident	5 Å²	5	32.1 Å²	32.1	4%	0.035	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	141.8	167.3	-75.3	0	0	0	0	108.5	H717 Q718 L780 S781	S659-H717 CarbonylContact C-O 3.58Å; S659-H717 VanDerWaalsContact CA-O 3.23Å; S659-H717 WeakPolarHBondContact CA-O 3.19Å; S659-Q718 PolarHBondContact OG-NE2 3.43Å; S659-L780 WeakPolarHBondContact O-CA 3.17Å; S659-S781 WeakPolarHBondContact CB-OG 3.06Å; S659-S781 PolarHBondContact N-O 3.33Å; S659-S781 PolarHBondContact O-N 3.4Å
660	F	93.1	Very high	88.2	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.009	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	152.8	-178.9	74.1	-87.8	0	0	0	111.5	L658 T662 L669 L684 L711 V716 H717 V719 F776 C779 L780	L658-F660 HydrophobicContact CD1-CB 4.21Å; L658-F660 HydrophobicContact CD1-CD1 3.78Å; L658-F660 HydrophobicContact CD1-CG 4.43Å; F660-T662 HydrophobicContact CD2-CG2 4.19Å; F660-T662 HydrophobicContact CE2-CG2 4.25Å; F660-L669 HydrophobicContact CB-CD2 4.32Å; F660-L669 HydrophobicContact CD1-CD1 3.77Å; F660-L669 HydrophobicContact CD2-CD1 4.35Å; F660-L669 HydrophobicContact CD2-CD2 4.14Å; F660-L669 HydrophobicContact CE1-CD1 3.8Å; F660-L669 HydrophobicContact CE2-CD1 4.41Å; F660-L669 HydrophobicContact CG-CD1 4.05Å; F660-L669 HydrophobicContact CG-CD2 4.12Å; F660-L669 HydrophobicContact CZ-CD1 4.13Å; F660-L684 HydrophobicContact CE2-CD1 3.97Å; F660-L684 HydrophobicContact CE2-CD2 4.38Å; F660-L684 HydrophobicContact CZ-CD2 4.1Å; F660-L711 HydrophobicContact CE2-CB 4.38Å; F660-L711 HydrophobicContact CZ-CB 4.15Å; F660-L711 HydrophobicContact CZ-CD1 4.28Å; F660-V716 CarbonylContact O-C 3.52Å; F660-V716 WeakPolarHBondContact O-CA 3.04Å; F660-H717 HydrophobicContact CD1-CB 4.35Å; F660-H717 HydrophobicContact CE1-CB 3.84Å; F660-H717 HydrophobicContact CE2-CB 4.31Å; F660-H717 HydrophobicContact CZ-CB 3.82Å; F660-H717 PolarHBondContact N-O 3.45Å; F660-H717 PolarHBondContact O-N 3.25Å; F660-V719 HydrophobicContact CD1-CG2 4.27Å; F660-V719 HydrophobicContact CE1-CG2 3.73Å; F660-F776 HydrophobicContact CB-CZ 4.2Å; F660-C779 CarbonylContact C-O 3.52Å; F660-C779 VanDerWaalsContact CA-O 3.24Å; F660-C779 WeakPolarHBondContact CA-O 3.42Å; F660-L780 HydrophobicContact CB-CD2 3.65Å
661	M	90.4	Very high	89.8	Confident	8 Å²	8	26.3 Å²	26.3	4%	0.039	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	140.3	164.2	-177.7	-172.8	-75	0	0	106.2	R715 V716 F776 C779 C814 M817	M661-R715 WeakPolarHBondContact CA-O 3.4Å; M661-V716 HydrophobicContact CE-CG2 3.46Å; M661-V716 VanDerWaalsContact CE-CG2 3.46Å; M661-F776 VanDerWaalsContact O-CZ 3.32Å; M661-F776 WeakPolarHBondContact O-CZ 3.4Å; M661-C779 HydrophobicContact CB-CB 4.37Å; M661-C779 PolarHBondContact N-O 3.44Å; M661-C779 PolarHBondContact O-N 3.47Å; M661-C779 VanDerWaalsContact O-N 3.15Å; M661-C814 WeakPolarHBondContact CE-O 3.07Å; M661-M817 HydrophobicContact CB-CE 3.99Å; M661-M817 HydrophobicContact CG-CE 3.91Å; M661-M817 HydrophobicContact CG-CG 4.11Å; M661-M817 WeakPolarHBondContact O-CE 3.49Å; M661-M817 HydrophobicContact SD-CG 3.76Å
662	T	89.3	Confident	91	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.146	C	C	.	.			trans	-158.1	157.2	170.7	-168	0	0	0	0	113.2	F660 Q664 T667 L684 A712 N713 R714 F776 V777	F660-T662 HydrophobicContact CD2-CG2 4.19Å; F660-T662 HydrophobicContact CE2-CG2 4.25Å; T662-Q664 PolarHBondContact OG1-N 3.24Å; T662-T667 HydrophobicContact CG2-CG2 4.25Å; T662-L684 HydrophobicContact CG2-CD1 3.51Å; T662-A712 HydrophobicContact CG2-CB 4.21Å; T662-A712 CarbonylContact O-C 3.52Å; T662-A712 VanDerWaalsContact O-CA 3.22Å; T662-A712 WeakPolarHBondContact O-CA 3.41Å; T662-N713 PolarHBondContact O-N 2.77Å; T662-R714 PolarHBondContact O-N 3.15Å; T662-F776 HydrophobicContact CG2-CE2 4.27Å; T662-V777 PolarHBondContact OG1-O 3.21Å
663	A	86.5	Confident	92	Very high	43 Å²	43	20.9 Å²	20.9	36%	0.355	12%	0.123	S	C	.	.	S	Bend	trans	-108.4	-2.7	167.3	0	0	0	0	0	112.1	R714	A663-R714 HydrophobicContact CB-CG 3.73Å
664	Q	87.8	Confident	92.1	Very high	49 Å²	49	15.3 Å²	15.3	23%	0.229	10%	0.099	C	C	.	.			trans	-104.7	134.6	-173.6	-64.7	-168.5	3.7	0	0	111.7	T662 T667 V777	T662-Q664 PolarHBondContact OG1-N 3.24Å; Q664-T667 VanDerWaalsContact O-CG2 3.28Å; Q664-T667 WeakPolarHBondContact O-CG2 3.3Å; Q664-V777 HydrophobicContact CG-CB 4.47Å
665	A	90.9	Very high	91.7	Very high	40 Å²	40	16.3 Å²	16.3	33%	0.331	11%	0.107	S	C	.	.	S	Bend	trans	-146.6	133	171.3	0	0	0	0	0	108.6	S685 A712	A665-S685 WeakPolarHBondContact CB-O 3.5Å; A665-A712 HydrophobicContact CB-CB 3.91Å
666	P	92.9	Very high	90.7	Very high	45 Å²	45	19.6 Å²	19.6	29%	0.292	13%	0.127	S	C	.	.	S	Bend	cis	-77.8	150.9	0.1	33.9	-33.7	0	0	0	112.2	L684 R686 A771	P666-L684 CarbonylContact C-O 3.56Å; P666-L684 WeakPolarHBondContact CA-O 3.28Å; P666-L684 VanDerWaalsContact CB-O 3.27Å; P666-L684 WeakPolarHBondContact CB-O 3.5Å; P666-R686 HydrophobicContact CB-CG 4.33Å; P666-R686 HydrophobicContact CG-CG 4.04Å; P666-A771 HydrophobicContact CB-CB 4.37Å
667	T	94.8	Very high	89.9	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	144.4	177.2	-175.4	0	0	0	0	111.7	T662 Q664 L669 L683 L684 G775 F776	T662-T667 HydrophobicContact CG2-CG2 4.25Å; Q664-T667 VanDerWaalsContact O-CG2 3.28Å; Q664-T667 WeakPolarHBondContact O-CG2 3.3Å; T667-L669 HydrophobicContact CG2-CD2 4.35Å; T667-L683 CarbonylContact O-C 3.57Å; T667-L683 VanDerWaalsContact O-CA 3.27Å; T667-L683 WeakPolarHBondContact O-CA 3.31Å; T667-L683 WeakPolarHBondContact O-CB 3.39Å; T667-L684 HydrophobicContact CG2-CB 4.05Å; T667-L684 HydrophobicContact CG2-CD1 4.02Å; T667-L684 HydrophobicContact CG2-CG 4.13Å; T667-L684 PolarHBondContact N-O 2.74Å; T667-L684 VanDerWaalsContact N-O 3.1Å; T667-L684 PolarHBondContact O-N 3.12Å; T667-G775 PolarHBondContact OG1-O 3.19Å; T667-F776 HydrophobicContact CG2-CD2 4.21Å; T667-F776 WeakPolarHBondContact OG1-CA 3.15Å
668	L	94.3	Very high	89.5	Confident	1 Å²	1	22.4 Å²	22.4	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	125.8	174.6	-176.3	62.7	0	0	0	110	A681 L683 V758 V768 A771 N772 F776	L668-A681 HydrophobicContact CD1-CB 4.01Å; L668-L683 HydrophobicContact CD1-CB 4.17Å; L668-V758 HydrophobicContact CD2-CG2 3.54Å; L668-V768 HydrophobicContact CD1-CG1 4.27Å; L668-V768 HydrophobicContact CD2-CG1 4.27Å; L668-A771 HydrophobicContact CB-CB 4.32Å; L668-A771 PolarHBondContact N-O 3.03Å; L668-N772 HydrophobicContact CD2-CB 4.16Å; L668-F776 VanDerWaalsContact O-CB 3.32Å; L668-F776 WeakPolarHBondContact O-CB 3.47Å
669	L	93.9	Very high	89.3	Confident	1 Å²	1	22.5 Å²	22.5	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	-49.4	179.2	-60.2	178.5	0	0	0	111.4	L658 F660 T667 I682 L690 F776	L658-L669 HydrophobicContact CD1-CD1 4.41Å; F660-L669 HydrophobicContact CB-CD2 4.32Å; F660-L669 HydrophobicContact CD1-CD1 3.77Å; F660-L669 HydrophobicContact CD2-CD1 4.35Å; F660-L669 HydrophobicContact CD2-CD2 4.14Å; F660-L669 HydrophobicContact CE1-CD1 3.8Å; F660-L669 HydrophobicContact CE2-CD1 4.41Å; F660-L669 HydrophobicContact CG-CD1 4.05Å; F660-L669 HydrophobicContact CG-CD2 4.12Å; F660-L669 HydrophobicContact CZ-CD1 4.13Å; T667-L669 HydrophobicContact CG2-CD2 4.35Å; L669-I682 WeakPolarHBondContact CA-O 3.23Å; L669-I682 HydrophobicContact CB-CG2 4.44Å; L669-I682 WeakPolarHBondContact CB-O 3.33Å; L669-I682 HydrophobicContact CD1-CG2 4.2Å; L669-I682 PolarHBondContact N-O 2.84Å; L669-L690 HydrophobicContact CD1-CD1 4.06Å; L669-F776 HydrophobicContact CD2-CD2 3.43Å; L669-F776 VanDerWaalsContact CD2-CD2 3.43Å; L669-F776 HydrophobicContact CD2-CE2 3.23Å; L669-F776 HydrophobicContact CD2-CG 4.43Å; L669-F776 HydrophobicContact CD2-CZ 4.13Å
670	L	96.2	Very high	89.3	Confident	1 Å²	1	22.3 Å²	22.3	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	140.2	-176.1	-178.6	151.5	0	0	0	110	I656 L658 L672 L680 I682 L753 L755 V783	I656-L670 HydrophobicContact CG2-CD1 3.91Å; L658-L670 HydrophobicContact CD2-CB 4.05Å; L658-L670 HydrophobicContact CD2-CD1 3.93Å; L670-L672 HydrophobicContact CD2-CD2 3.87Å; L670-L672 HydrophobicContact CD2-CG 3.75Å; L670-L680 HydrophobicContact CD2-CD2 4.19Å; L670-I682 HydrophobicContact CB-CB 4.32Å; L670-I682 HydrophobicContact CB-CD1 4.38Å; L670-I682 HydrophobicContact CB-CG1 4.46Å; L670-I682 HydrophobicContact CD2-CD1 4.23Å; L670-I682 HydrophobicContact CD2-CG1 4.4Å; L670-I682 PolarHBondContact N-O 3.04Å; L670-I682 PolarHBondContact O-N 3.37Å; L670-L753 HydrophobicContact CD1-CD1 4.38Å; L670-L755 HydrophobicContact CB-CD2 4.13Å; L670-L755 HydrophobicContact CD1-CD2 3.84Å; L670-L755 HydrophobicContact CG-CD2 3.96Å; L670-V783 HydrophobicContact CD1-CG1 4.5Å
671	Y	95.3	Very high	89.4	Confident	20 Å²	20	22.2 Å²	22.2	8%	0.078	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	121.7	176.9	-175.2	-92.3	0	0	0	110.6	N673 F679 L680 A681 I754 V758 L764 V768	Y671-N673 HydrophobicContact CD1-CB 4.5Å; Y671-N673 HydrophobicContact CE1-CB 4.01Å; Y671-F679 HydrophobicContact CD2-CB 4.49Å; Y671-F679 HydrophobicContact CD2-CD2 4.33Å; Y671-F679 HydrophobicContact CE1-CB 4.24Å; Y671-F679 HydrophobicContact CE2-CB 3.6Å; Y671-F679 HydrophobicContact CE2-CD1 4.33Å; Y671-F679 AromaticContact CE2-CD2 3.65Å; Y671-F679 HydrophobicContact CE2-CD2 3.65Å; Y671-F679 HydrophobicContact CE2-CE2 4.44Å; Y671-F679 AromaticContact CE2-CG 3.6Å; Y671-F679 HydrophobicContact CE2-CG 3.6Å; Y671-F679 VanDerWaalsContact CZ-CB 3.44Å; Y671-F679 AromaticContact CZ-CG 3.86Å; Y671-F679 VanDerWaalsContact OH-CB 3.26Å; Y671-F679 WeakPolarHBondContact OH-CB 3.18Å; Y671-L680 CarbonylContact C-O 3.09Å; Y671-L680 WeakPolarHBondContact CA-O 3.23Å; Y671-A681 HydrophobicContact CD2-CB 4.1Å; Y671-I754 HydrophobicContact CD1-CD1 4.13Å; Y671-I754 PolarHBondContact N-O 2.95Å; Y671-I754 PolarHBondContact O-N 2.73Å; Y671-V758 HydrophobicContact CD1-CG2 3.89Å; Y671-V758 HydrophobicContact CD2-CG2 4.25Å; Y671-V758 HydrophobicContact CG-CG2 3.69Å; Y671-L764 HydrophobicContact CE2-CD2 3.86Å; Y671-V768 HydrophobicContact CD2-CG1 4.19Å; Y671-V768 HydrophobicContact CE2-CG1 4.16Å
672	L	93.4	Very high	89.6	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	128.7	169.4	-54.1	178.5	0	0	0	109.3	I656 L670 F679 L680 V750 S752 L753 Y785	I656-L672 HydrophobicContact CD1-CD1 3.81Å; L670-L672 HydrophobicContact CD2-CD2 3.87Å; L670-L672 HydrophobicContact CD2-CG 3.75Å; L672-F679 CarbonylContact O-C 3.53Å; L672-F679 WeakPolarHBondContact O-CA 3.37Å; L672-F679 WeakPolarHBondContact O-CB 2.96Å; L672-L680 HydrophobicContact CB-CB 4.12Å; L672-L680 HydrophobicContact CD1-CB 4.31Å; L672-L680 HydrophobicContact CD1-CD1 4.09Å; L672-L680 HydrophobicContact CD1-CD2 4.25Å; L672-L680 HydrophobicContact CD1-CG 4.48Å; L672-L680 HydrophobicContact CG-CB 4.43Å; L672-L680 HydrophobicContact CG-CD2 4.31Å; L672-L680 PolarHBondContact N-O 3.32Å; L672-L680 PolarHBondContact O-N 3.35Å; L672-V750 HydrophobicContact CB-CG1 4.2Å; L672-V750 HydrophobicContact CB-CG2 4.4Å; L672-V750 HydrophobicContact CD1-CG2 4.17Å; L672-V750 HydrophobicContact CD2-CG1 4.22Å; L672-S752 WeakPolarHBondContact CA-O 3.41Å; L672-L753 HydrophobicContact CD2-CB 3.6Å; L672-L753 HydrophobicContact CD2-CD1 3.63Å; L672-L753 HydrophobicContact CD2-CG 3.5Å; L672-Y785 HydrophobicContact CD1-CD2 3.96Å; L672-Y785 HydrophobicContact CD1-CE2 3.53Å; L672-Y785 HydrophobicContact CD2-CD2 4.26Å; L672-Y785 HydrophobicContact CD2-CE2 4.44Å
673	N	90.6	Very high	89.8	Confident	28 Å²	28	22.1 Å²	22.1	15%	0.15	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	119.8	175.5	-172.1	9.2	0	0	0	109.6	Y671 S675 R751 S752	Y671-N673 HydrophobicContact CD1-CB 4.5Å; Y671-N673 HydrophobicContact CE1-CB 4.01Å; N673-S675 PolarHBondContact OD1-N 2.82Å; N673-S675 PolarHBondContact OD1-O 2.81Å; N673-R751 PolarHBondContact O-N 3.33Å; N673-S752 WeakPolarHBondContact CB-OG 3.48Å; N673-S752 PolarHBondContact N-O 3.01Å; N673-S752 PolarHBondContact O-N 3.31Å
674	F	87.9	Confident	90.2	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.018	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-42.4	173.8	-51.5	-63	0	0	0	111.1	N678 F679 L680 Y694 L696 Q748 V750 R751	F674-N678 HydrophobicContact CB-CB 4.01Å; F674-N678 WeakPolarHBondContact CB-O 3.1Å; F674-N678 HydrophobicContact CD2-CB 4.17Å; F674-N678 PolarHBondContact N-O 2.82Å; F674-F679 WeakPolarHBondContact CE2-O 3.07Å; F674-L680 HydrophobicContact CE2-CB 3.97Å; F674-L680 HydrophobicContact CZ-CB 3.82Å; F674-Y694 HydrophobicContact CZ-CE1 4.4Å; F674-L696 HydrophobicContact CD2-CD2 4.3Å; F674-L696 HydrophobicContact CE2-CD2 4Å; F674-Q748 HydrophobicContact CB-CB 3.99Å; F674-Q748 HydrophobicContact CG-CB 4.41Å; F674-V750 HydrophobicContact CD1-CB 4.39Å; F674-V750 HydrophobicContact CD1-CG2 3.69Å; F674-V750 HydrophobicContact CE1-CG2 3.43Å; F674-V750 VanDerWaalsContact CE1-CG2 3.43Å; F674-R751 VanDerWaalsContact O-CD 3.22Å; F674-R751 WeakPolarHBondContact O-CD 3.33Å; F674-R751 WeakPolarHBondContact O-CG 3.02Å; F674-R751 PolarHBondContact O-NE 2.91Å; F674-R751 VanDerWaalsContact O-NE 3.09Å
675	S	79.8	Confident	90.4	Very high	26 Å²	26	18.6 Å²	18.6	18%	0.182	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	177.3	175.4	69.9	0	0	0	0	109.6	N673 Q677 N678	N673-S675 PolarHBondContact OD1-N 2.82Å; N673-S675 PolarHBondContact OD1-O 2.81Å; S675-Q677 PolarHBondContact O-N 3.28Å; S675-N678 PolarHBondContact N-O 2.78Å; S675-N678 PolarHBondContact O-N 3.14Å; S675-N678 VanDerWaalsContact O-N 3.11Å; S675-N678 WeakPolarHBondContact OG-CB 3.35Å
676	S	70.6	Confident	90.4	Very high	106 Å²	106	25.7 Å²	25.7	74%	0.741	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-14.8	-174.5	57.5	0	0	0	0	116.1
677	Q	76.1	Confident	90.2	Very high	78 Å²	78	28.9 Å²	28.9	36%	0.364	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.7	-6.8	176.9	-56.7	-165.7	-3.8	0	0	114.2	S675 R695	S675-Q677 PolarHBondContact O-N 3.28Å; Q677-R695 WeakPolarHBondContact O-CD 3.42Å
678	N	87.3	Confident	89.9	Confident	12 Å²	12	28.9 Å²	28.9	6%	0.064	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	129.6	-175.2	-67.8	-8.5	0	0	0	110.3	F674 S675 R695 L696 Q748	F674-N678 HydrophobicContact CB-CB 4.01Å; F674-N678 WeakPolarHBondContact CB-O 3.1Å; F674-N678 HydrophobicContact CD2-CB 4.17Å; F674-N678 PolarHBondContact N-O 2.82Å; S675-N678 PolarHBondContact N-O 2.78Å; S675-N678 PolarHBondContact O-N 3.14Å; S675-N678 VanDerWaalsContact O-N 3.11Å; S675-N678 WeakPolarHBondContact OG-CB 3.35Å; N678-R695 CarbonylContact C-O 3.5Å; N678-R695 WeakPolarHBondContact CA-O 3.41Å; N678-R695 WeakPolarHBondContact CB-O 3.4Å; N678-L696 PolarHBondContact ND2-O 3.13Å; N678-L696 PolarHBondContact OD1-O 2.63Å; N678-Q748 PolarHBondContact ND2-NE2 3.26Å; N678-Q748 PolarHBondContact ND2-OE1 2.9Å
679	F	91	Very high	89.8	Confident	4 Å²	4	29.1 Å²	29.1	2%	0.018	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	166.2	-173.9	67.4	-95.8	0	0	0	113.4	Y671 L672 F674 A681 Q693 R695 D765 V768	Y671-F679 HydrophobicContact CD2-CB 4.49Å; Y671-F679 HydrophobicContact CD2-CD2 4.33Å; Y671-F679 HydrophobicContact CE1-CB 4.24Å; Y671-F679 HydrophobicContact CE2-CB 3.6Å; Y671-F679 HydrophobicContact CE2-CD1 4.33Å; Y671-F679 AromaticContact CE2-CD2 3.65Å; Y671-F679 HydrophobicContact CE2-CD2 3.65Å; Y671-F679 HydrophobicContact CE2-CE2 4.44Å; Y671-F679 AromaticContact CE2-CG 3.6Å; Y671-F679 HydrophobicContact CE2-CG 3.6Å; Y671-F679 VanDerWaalsContact CZ-CB 3.44Å; Y671-F679 AromaticContact CZ-CG 3.86Å; Y671-F679 VanDerWaalsContact OH-CB 3.26Å; Y671-F679 WeakPolarHBondContact OH-CB 3.18Å; L672-F679 CarbonylContact O-C 3.53Å; L672-F679 WeakPolarHBondContact O-CA 3.37Å; L672-F679 WeakPolarHBondContact O-CB 2.96Å; F674-F679 WeakPolarHBondContact CE2-O 3.07Å; F679-A681 HydrophobicContact CD2-CB 3.92Å; F679-A681 HydrophobicContact CE2-CB 3.87Å; F679-Q693 HydrophobicContact CE2-CG 4.01Å; F679-Q693 HydrophobicContact CZ-CG 4.34Å; F679-R695 HydrophobicContact CD1-CB 3.84Å; F679-R695 HydrophobicContact CE1-CB 3.62Å; F679-R695 VanDerWaalsContact CE1-CD 3.44Å; F679-R695 HydrophobicContact CE1-CG 4.16Å; F679-R695 HydrophobicContact CE2-CB 4.34Å; F679-R695 HydrophobicContact CG-CB 4.31Å; F679-R695 HydrophobicContact CZ-CB 3.88Å; F679-R695 PolarHBondContact N-O 3.35Å; F679-R695 PolarHBondContact O-N 3.42Å; F679-D765 HydrophobicContact CE1-CB 3.94Å; F679-D765 HydrophobicContact CZ-CB 3.66Å; F679-V768 HydrophobicContact CE2-CG2 3.72Å; F679-V768 HydrophobicContact CZ-CG2 3.86Å
680	L	93.3	Very high	89.8	Confident	1 Å²	1	29 Å²	29	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	127.9	161.2	175.7	166.1	0	0	0	108.3	I656 L670 Y671 L672 F674 I682 Q693 Y694 M721	I656-L680 HydrophobicContact CD1-CD1 4.15Å; I656-L680 HydrophobicContact CD1-CD2 4.3Å; L670-L680 HydrophobicContact CD2-CD2 4.19Å; Y671-L680 CarbonylContact C-O 3.09Å; Y671-L680 WeakPolarHBondContact CA-O 3.23Å; L672-L680 HydrophobicContact CB-CB 4.12Å; L672-L680 HydrophobicContact CD1-CB 4.31Å; L672-L680 HydrophobicContact CD1-CD1 4.09Å; L672-L680 HydrophobicContact CD1-CD2 4.25Å; L672-L680 HydrophobicContact CD1-CG 4.48Å; L672-L680 HydrophobicContact CG-CB 4.43Å; L672-L680 HydrophobicContact CG-CD2 4.31Å; L672-L680 PolarHBondContact N-O 3.32Å; L672-L680 PolarHBondContact O-N 3.35Å; F674-L680 HydrophobicContact CE2-CB 3.97Å; F674-L680 HydrophobicContact CZ-CB 3.82Å; L680-I682 HydrophobicContact CD2-CD1 4.31Å; L680-I682 HydrophobicContact CD2-CG1 3.74Å; L680-Q693 CarbonylContact C-O 3.57Å; L680-Q693 WeakPolarHBondContact CA-O 3.29Å; L680-Y694 HydrophobicContact CB-CD1 4.46Å; L680-Y694 HydrophobicContact CB-CE1 4.42Å; L680-Y694 HydrophobicContact CD1-CD1 4.31Å; L680-Y694 HydrophobicContact CD1-CD2 4.2Å; L680-Y694 HydrophobicContact CD1-CE1 3.62Å; L680-Y694 HydrophobicContact CD1-CE2 3.48Å; L680-Y694 VanDerWaalsContact CD1-CE2 3.48Å; L680-Y694 VanDerWaalsContact CD1-OH 3.28Å; L680-Y694 WeakPolarHBondContact CD1-OH 2.86Å; L680-Y694 HydrophobicContact CG-CD2 4.33Å; L680-Y694 HydrophobicContact CG-CE1 4.35Å; L680-Y694 HydrophobicContact CG-CE2 4.07Å; L680-M721 HydrophobicContact CD1-CE 3.82Å; L680-M721 HydrophobicContact CD1-SD 4.49Å
681	A	94.3	Very high	89.6	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	132.9	175.3	0	0	0	0	0	110.6	L668 Y671 F679 L683 I692 Q693 V768	L668-A681 HydrophobicContact CD1-CB 4.01Å; Y671-A681 HydrophobicContact CD2-CB 4.1Å; F679-A681 HydrophobicContact CD2-CB 3.92Å; F679-A681 HydrophobicContact CE2-CB 3.87Å; A681-L683 HydrophobicContact CB-CD2 4.44Å; A681-I692 WeakPolarHBondContact O-CA 3.42Å; A681-Q693 PolarHBondContact N-O 2.81Å; A681-Q693 PolarHBondContact O-N 2.82Å; A681-V768 HydrophobicContact CB-CG1 4.37Å; A681-V768 HydrophobicContact CB-CG2 3.93Å
682	I	94.9	Very high	89.6	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	118.1	168.3	-51.6	-177.5	0	0	0	106.8	I656 L658 L669 L670 L680 L690 I692	I656-I682 HydrophobicContact CG2-CD1 4.26Å; L658-I682 HydrophobicContact CD2-CD1 4.16Å; L669-I682 WeakPolarHBondContact CA-O 3.23Å; L669-I682 HydrophobicContact CB-CG2 4.44Å; L669-I682 WeakPolarHBondContact CB-O 3.33Å; L669-I682 HydrophobicContact CD1-CG2 4.2Å; L669-I682 PolarHBondContact N-O 2.84Å; L670-I682 HydrophobicContact CB-CB 4.32Å; L670-I682 HydrophobicContact CB-CD1 4.38Å; L670-I682 HydrophobicContact CB-CG1 4.46Å; L670-I682 HydrophobicContact CD2-CD1 4.23Å; L670-I682 HydrophobicContact CD2-CG1 4.4Å; L670-I682 PolarHBondContact N-O 3.04Å; L670-I682 PolarHBondContact O-N 3.37Å; L680-I682 HydrophobicContact CD2-CD1 4.31Å; L680-I682 HydrophobicContact CD2-CG1 3.74Å; I682-L690 HydrophobicContact CG2-CD1 3.79Å; I682-I692 HydrophobicContact CG1-CG1 4.37Å; I682-I692 HydrophobicContact CG2-CG1 4.35Å
683	L	94.8	Very high	89.5	Confident	5 Å²	5	29.8 Å²	29.8	3%	0.026	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	158.5	-174.1	64.9	87.7	0	0	0	112.1	T667 L668 A681 Q691 V768 A771	T667-L683 CarbonylContact O-C 3.57Å; T667-L683 VanDerWaalsContact O-CA 3.27Å; T667-L683 WeakPolarHBondContact O-CA 3.31Å; T667-L683 WeakPolarHBondContact O-CB 3.39Å; L668-L683 HydrophobicContact CD1-CB 4.17Å; A681-L683 HydrophobicContact CB-CD2 4.44Å; L683-Q691 HydrophobicContact CD1-CB 3.88Å; L683-Q691 HydrophobicContact CG-CB 4.23Å; L683-Q691 PolarHBondContact N-O 3.11Å; L683-Q691 PolarHBondContact O-N 3.17Å; L683-V768 HydrophobicContact CD2-CG2 4.19Å; L683-A771 HydrophobicContact CB-CB 4.32Å; L683-A771 HydrophobicContact CD2-CB 4.4Å
684	L	94.1	Very high	89.5	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	130.7	163.4	-61	-176.2	0	0	0	109.3	F660 T662 P666 T667 S689 L690 L711 A712	F660-L684 HydrophobicContact CE2-CD1 3.97Å; F660-L684 HydrophobicContact CE2-CD2 4.38Å; F660-L684 HydrophobicContact CZ-CD2 4.1Å; T662-L684 HydrophobicContact CG2-CD1 3.51Å; P666-L684 CarbonylContact C-O 3.56Å; P666-L684 WeakPolarHBondContact CA-O 3.28Å; P666-L684 VanDerWaalsContact CB-O 3.27Å; P666-L684 WeakPolarHBondContact CB-O 3.5Å; T667-L684 HydrophobicContact CG2-CB 4.05Å; T667-L684 HydrophobicContact CG2-CD1 4.02Å; T667-L684 HydrophobicContact CG2-CG 4.13Å; T667-L684 PolarHBondContact N-O 2.74Å; T667-L684 VanDerWaalsContact N-O 3.1Å; T667-L684 PolarHBondContact O-N 3.12Å; L684-S689 CarbonylContact C-O 3.58Å; L684-S689 WeakPolarHBondContact CA-O 3.34Å; L684-L690 HydrophobicContact CD2-CB 4.33Å; L684-L690 HydrophobicContact CD2-CD1 4.03Å; L684-L711 HydrophobicContact CD1-CB 4.43Å; L684-L711 HydrophobicContact CD2-CB 4.06Å; L684-L711 HydrophobicContact CD2-CD1 4.05Å; L684-A712 HydrophobicContact CD1-CB 4.27Å
685	S	92.6	Very high	89.6	Confident	17 Å²	17	30.6 Å²	30.6	12%	0.119	15%	0.154	C	C	.	.			trans	-77.4	175.8	175.2	90.5	0	0	0	0	110.8	A665 N687 G688 S689	A665-S685 WeakPolarHBondContact CB-O 3.5Å; S685-N687 PolarHBondContact O-N 2.92Å; S685-N687 VanDerWaalsContact O-N 3.16Å; S685-N687 PolarHBondContact OG-OD1 3.18Å; S685-G688 PolarHBondContact O-N 3.27Å; S685-S689 PolarHBondContact N-O 3.09Å; S685-S689 PolarHBondContact OG-OG 2.89Å
686	R	89.5	Confident	89.8	Confident	190 Å²	190	30.2 Å²	30.2	72%	0.717	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-27.5	-176.1	-71.2	-177	175.8	-168.8	-4.4	114.6	P666 G688	P666-R686 HydrophobicContact CB-CG 4.33Å; P666-R686 HydrophobicContact CG-CG 4.04Å; R686-G688 VanDerWaalsContact C-N 3.29Å
687	N	89.3	Confident	90.2	Very high	111 Å²	111	27.3 Å²	27.3	59%	0.594	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	3.7	178.2	68.4	6.8	0	0	0	112.5	S685 S689	S685-N687 PolarHBondContact O-N 2.92Å; S685-N687 VanDerWaalsContact O-N 3.16Å; S685-N687 PolarHBondContact OG-OD1 3.18Å; N687-S689 WeakPolarHBondContact OD1-CB 3.27Å; N687-S689 PolarHBondContact OD1-N 3.45Å; N687-S689 PolarHBondContact OD1-OG 3.37Å
688	G	89.3	Confident	89.9	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	84.3	5.3	-178.5	0	0	0	0	0	115.2	S685 R686 N710 L711	S685-G688 PolarHBondContact O-N 3.27Å; R686-G688 VanDerWaalsContact C-N 3.29Å; G688-N710 WeakPolarHBondContact CA-OD1 3.1Å; G688-L711 WeakPolarHBondContact O-CB 3.35Å; G688-L711 PolarHBondContact O-N 3.09Å
689	S	91.9	Very high	89.1	Confident	6 Å²	6	38.9 Å²	38.9	4%	0.042	18%	0.181	C	C	.	.			trans	-73.4	146.7	174.4	69.8	0	0	0	0	111.9	L684 S685 N687	L684-S689 CarbonylContact C-O 3.58Å; L684-S689 WeakPolarHBondContact CA-O 3.34Å; S685-S689 PolarHBondContact N-O 3.09Å; S685-S689 PolarHBondContact OG-OG 2.89Å; N687-S689 WeakPolarHBondContact OD1-CB 3.27Å; N687-S689 PolarHBondContact OD1-N 3.45Å; N687-S689 PolarHBondContact OD1-OG 3.37Å
690	L	93.1	Very high	88.4	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	130.6	174.6	-175.1	67.4	0	0	0	110.4	L669 I682 L684 I706 L711 V719 M732	L669-L690 HydrophobicContact CD1-CD1 4.06Å; I682-L690 HydrophobicContact CG2-CD1 3.79Å; L684-L690 HydrophobicContact CD2-CB 4.33Å; L684-L690 HydrophobicContact CD2-CD1 4.03Å; L690-I706 HydrophobicContact CB-CB 4.39Å; L690-I706 HydrophobicContact CB-CD1 4.45Å; L690-I706 HydrophobicContact CD2-CD1 4.11Å; L690-I706 HydrophobicContact CG-CD1 4.27Å; L690-I706 PolarHBondContact O-N 3.48Å; L690-L711 HydrophobicContact CB-CD1 3.73Å; L690-V719 HydrophobicContact CD1-CG2 4.42Å; L690-V719 HydrophobicContact CD2-CB 4.46Å; L690-V719 HydrophobicContact CD2-CG1 3.98Å; L690-V719 HydrophobicContact CD2-CG2 3.58Å; L690-M732 HydrophobicContact CD2-CG 4.26Å
691	Q	93.4	Very high	88	Confident	30 Å²	30	45.5 Å²	45.5	14%	0.14	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	134.7	174.5	-71	-172.8	-38.9	0	0	111.1	L683 F704 T705	L683-Q691 HydrophobicContact CD1-CB 3.88Å; L683-Q691 HydrophobicContact CG-CB 4.23Å; L683-Q691 PolarHBondContact N-O 3.11Å; L683-Q691 PolarHBondContact O-N 3.17Å; Q691-F704 WeakPolarHBondContact CA-O 3.37Å; Q691-T705 HydrophobicContact CG-CG2 4.01Å; Q691-T705 PolarHBondContact NE2-OG1 3.34Å; Q691-T705 VanDerWaalsContact NE2-OG1 3.11Å
692	I	93.8	Very high	87.8	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	115.4	172.9	-63.9	161.4	0	0	0	107.1	A681 I682 Y694 V703 F704 I706 M721 I730	A681-I692 WeakPolarHBondContact O-CA 3.42Å; I682-I692 HydrophobicContact CG1-CG1 4.37Å; I682-I692 HydrophobicContact CG2-CG1 4.35Å; I692-Y694 HydrophobicContact CG2-CD2 4.12Å; I692-Y694 HydrophobicContact CG2-CE2 4.08Å; I692-V703 WeakPolarHBondContact O-CA 3.32Å; I692-F704 HydrophobicContact CB-CB 4.45Å; I692-F704 HydrophobicContact CG2-CD2 4.48Å; I692-F704 PolarHBondContact N-O 2.87Å; I692-F704 PolarHBondContact O-N 2.85Å; I692-I706 HydrophobicContact CD1-CD1 4.1Å; I692-M721 HydrophobicContact CD1-SD 4.44Å; I692-M721 HydrophobicContact CG2-SD 4.29Å; I692-I730 HydrophobicContact CD1-CB 4.46Å; I692-I730 HydrophobicContact CD1-CD1 3.39Å; I692-I730 HydrophobicContact CD1-CG1 3.65Å; I692-I730 HydrophobicContact CD1-CG2 3.94Å
693	Q	92.5	Very high	87.6	Confident	7 Å²	7	49.8 Å²	49.8	3%	0.033	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	117.4	-176.5	-179.9	173.9	13.5	0	0	110.1	F679 L680 A681 H702 V703	F679-Q693 HydrophobicContact CE2-CG 4.01Å; F679-Q693 HydrophobicContact CZ-CG 4.34Å; L680-Q693 CarbonylContact C-O 3.57Å; L680-Q693 WeakPolarHBondContact CA-O 3.29Å; A681-Q693 PolarHBondContact N-O 2.81Å; A681-Q693 PolarHBondContact O-N 2.82Å; Q693-H702 WeakPolarHBondContact CA-O 3.43Å; Q693-V703 HydrophobicContact CB-CG2 4.35Å; Q693-V703 HydrophobicContact CG-CG2 3.98Å
694	Y	91.1	Very high	87.4	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	124	170.4	-89.5	-95.9	0	0	0	110	F674 L680 I692 L696 S701 H702 F704 M721 L728 F741 F747	F674-Y694 HydrophobicContact CZ-CE1 4.4Å; L680-Y694 HydrophobicContact CB-CD1 4.46Å; L680-Y694 HydrophobicContact CB-CE1 4.42Å; L680-Y694 HydrophobicContact CD1-CD1 4.31Å; L680-Y694 HydrophobicContact CD1-CD2 4.2Å; L680-Y694 HydrophobicContact CD1-CE1 3.62Å; L680-Y694 HydrophobicContact CD1-CE2 3.48Å; L680-Y694 VanDerWaalsContact CD1-CE2 3.48Å; L680-Y694 VanDerWaalsContact CD1-OH 3.28Å; L680-Y694 WeakPolarHBondContact CD1-OH 2.86Å; L680-Y694 HydrophobicContact CG-CD2 4.33Å; L680-Y694 HydrophobicContact CG-CE1 4.35Å; L680-Y694 HydrophobicContact CG-CE2 4.07Å; I692-Y694 HydrophobicContact CG2-CD2 4.12Å; I692-Y694 HydrophobicContact CG2-CE2 4.08Å; Y694-L696 HydrophobicContact CD1-CD1 4.18Å; Y694-L696 HydrophobicContact CD1-CD2 4.11Å; Y694-L696 HydrophobicContact CD1-CG 4.23Å; Y694-S701 CarbonylContact O-C 3.55Å; Y694-S701 VanDerWaalsContact O-CA 3.31Å; Y694-S701 WeakPolarHBondContact O-CA 3.46Å; Y694-H702 PolarHBondContact N-O 3.26Å; Y694-H702 PolarHBondContact O-N 3.2Å; Y694-F704 HydrophobicContact CD2-CE2 4.27Å; Y694-M721 HydrophobicContact CE2-CE 3.68Å; Y694-M721 WeakPolarHBondContact OH-CE 3.44Å; Y694-L728 HydrophobicContact CE2-CD2 4.36Å; Y694-F741 HydrophobicContact CD1-CZ 4.29Å; Y694-F741 HydrophobicContact CD2-CE1 4.28Å; Y694-F741 AromaticContact CD2-CZ 3.71Å; Y694-F741 HydrophobicContact CD2-CZ 3.71Å; Y694-F741 HydrophobicContact CE1-CZ 4.38Å; Y694-F741 AromaticContact CE2-CZ 3.8Å; Y694-F741 HydrophobicContact CE2-CZ 3.8Å; Y694-F741 HydrophobicContact CG-CE1 4.16Å; Y694-F741 AromaticContact CG-CZ 3.93Å; Y694-F741 HydrophobicContact CG-CZ 3.93Å; Y694-F747 HydrophobicContact CD1-CE1 4.47Å; Y694-F747 HydrophobicContact CE1-CD1 4.38Å; Y694-F747 HydrophobicContact CE1-CE1 4.13Å
695	R	88.9	Confident	87.2	Confident	48 Å²	48	53 Å²	53	18%	0.181	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	105.5	167.9	-171.3	173	-171.8	163.9	0.8	109	Q677 N678 F679 S697 K698 D765	Q677-R695 WeakPolarHBondContact O-CD 3.42Å; N678-R695 CarbonylContact C-O 3.5Å; N678-R695 WeakPolarHBondContact CA-O 3.41Å; N678-R695 WeakPolarHBondContact CB-O 3.4Å; F679-R695 HydrophobicContact CD1-CB 3.84Å; F679-R695 HydrophobicContact CE1-CB 3.62Å; F679-R695 VanDerWaalsContact CE1-CD 3.44Å; F679-R695 HydrophobicContact CE1-CG 4.16Å; F679-R695 HydrophobicContact CE2-CB 4.34Å; F679-R695 HydrophobicContact CG-CB 4.31Å; F679-R695 HydrophobicContact CZ-CB 3.88Å; F679-R695 PolarHBondContact N-O 3.35Å; F679-R695 PolarHBondContact O-N 3.42Å; R695-S697 WeakPolarHBondContact CG-O 3.32Å; R695-K698 PolarHBondContact NH2-O 3.18Å; R695-D765 IonicContact NH1-OD2 3.84Å
696	L	84.1	Confident	86.9	Confident	18 Å²	18	52.2 Å²	52.2	9%	0.094	25%	0.254	C	S	.	.			trans	-107.2	-17	-174.7	-62.5	171	0	0	0	112.1	F674 N678 Y694 V745 F747	F674-L696 HydrophobicContact CD2-CD2 4.3Å; F674-L696 HydrophobicContact CE2-CD2 4Å; N678-L696 PolarHBondContact ND2-O 3.13Å; N678-L696 PolarHBondContact OD1-O 2.63Å; Y694-L696 HydrophobicContact CD1-CD1 4.18Å; Y694-L696 HydrophobicContact CD1-CD2 4.11Å; Y694-L696 HydrophobicContact CD1-CG 4.23Å; L696-V745 HydrophobicContact CD1-CG1 3.17Å; L696-V745 HydrophobicContact CG-CG1 4.49Å; L696-F747 HydrophobicContact CD1-CD1 3.89Å; L696-F747 HydrophobicContact CD1-CE1 3.72Å; L696-F747 HydrophobicContact CD1-CZ 4.48Å; L696-F747 HydrophobicContact CD2-CD1 4.23Å
697	S	78.4	Confident	86	Confident	46 Å²	46	48.4 Å²	48.4	32%	0.322	26%	0.257	S	S	.	.	S	Bend	trans	-138.9	168.8	173.8	79.2	0	0	0	0	110.8	R695 E699 E700	R695-S697 WeakPolarHBondContact CG-O 3.32Å; S697-E699 PolarHBondContact O-N 3.36Å; S697-E700 WeakPolarHBondContact OG-CB 3.45Å; S697-E700 PolarHBondContact OG-N 3.3Å
698	K	70.6	Confident	84.7	Confident	141 Å²	141	44.6 Å²	44.6	61%	0.613	24%	0.238	S	C	*	.	S	Bend	trans	-63.4	-29.6	-180	-64.5	-161	-177.7	-167.7	0	113.1	R695	R695-K698 PolarHBondContact NH2-O 3.18Å
699	E	71.3	Confident	84.2	Confident	192 Å²	192	52.9 Å²	52.9	90%	0.897	28%	0.276	S	S	*	.	S	Bend	trans	-105.4	-13.8	-169.6	-63.3	-172.5	176.1	0	0	113.5	S697	S697-E699 PolarHBondContact O-N 3.36Å
700	E	75.8	Confident	84	Confident	94 Å²	94	56.5 Å²	56.5	44%	0.439	30%	0.295	S	S	.	.			trans	-126.5	124.3	-171.3	-161.1	175.1	-166.4	0	0	112.8	S697 H702	S697-E700 WeakPolarHBondContact OG-CB 3.45Å; S697-E700 PolarHBondContact OG-N 3.3Å; E700-H702 VanDerWaalsContact CD-CE1 3.43Å; E700-H702 IonicContact OE1-CE1 3.81Å; E700-H702 PolarHBondContact OE1-CE1 2.73Å; E700-H702 IonicContact OE1-NE2 3.42Å; E700-H702 IonicContact OE2-CE1 3.08Å
701	S	84.8	Confident	83.8	Confident	49 Å²	49	56.7 Å²	56.7	34%	0.343	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	124.5	173.9	-66.5	0	0	0	0	110.1	Y694	Y694-S701 CarbonylContact O-C 3.55Å; Y694-S701 VanDerWaalsContact O-CA 3.31Å; Y694-S701 WeakPolarHBondContact O-CA 3.46Å
702	H	89.2	Confident	83.6	Confident	28 Å²	28	56 Å²	56	13%	0.13	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	113.1	176.8	-64.1	80.6	0	0	0	108.7	Q693 Y694 E700 F704 F741 P742	Q693-H702 WeakPolarHBondContact CA-O 3.43Å; Y694-H702 PolarHBondContact N-O 3.26Å; Y694-H702 PolarHBondContact O-N 3.2Å; E700-H702 VanDerWaalsContact CD-CE1 3.43Å; E700-H702 IonicContact OE1-CE1 3.81Å; E700-H702 PolarHBondContact OE1-CE1 2.73Å; E700-H702 IonicContact OE1-NE2 3.42Å; E700-H702 IonicContact OE2-CE1 3.08Å; H702-F704 HydrophobicContact CB-CE2 4.04Å; H702-F704 HydrophobicContact CB-CZ 4.14Å; H702-F741 HydrophobicContact CB-CD1 4.46Å; H702-F741 HydrophobicContact CB-CE1 3.94Å; H702-F741 AromaticContact CD2-CD1 3.99Å; H702-P742 WeakPolarHBondContact NE2-CD 3.4Å
703	V	91	Very high	83.2	Confident	63 Å²	63	58.7 Å²	58.7	38%	0.382	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	119.4	-177.3	-176.1	0	0	0	0	109.8	I692 Q693	I692-V703 WeakPolarHBondContact O-CA 3.32Å; Q693-V703 HydrophobicContact CB-CG2 4.35Å; Q693-V703 HydrophobicContact CG-CG2 3.98Å
704	F	91	Very high	82.6	Confident	21 Å²	21	64.5 Å²	64.5	9%	0.092	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	114.4	175.1	-52.2	-79	0	0	0	108.5	Q691 I692 Y694 H702 L728 I730 Y739 F741	Q691-F704 WeakPolarHBondContact CA-O 3.37Å; I692-F704 HydrophobicContact CB-CB 4.45Å; I692-F704 HydrophobicContact CG2-CD2 4.48Å; I692-F704 PolarHBondContact N-O 2.87Å; I692-F704 PolarHBondContact O-N 2.85Å; Y694-F704 HydrophobicContact CD2-CE2 4.27Å; H702-F704 HydrophobicContact CB-CE2 4.04Å; H702-F704 HydrophobicContact CB-CZ 4.14Å; F704-L728 HydrophobicContact CD2-CD2 3.64Å; F704-L728 HydrophobicContact CE2-CD2 3.56Å; F704-L728 HydrophobicContact CG-CD2 4.17Å; F704-L728 HydrophobicContact CZ-CD2 4.02Å; F704-I730 HydrophobicContact CB-CD1 4.34Å; F704-Y739 HydrophobicContact CB-CE2 4.36Å; F704-Y739 AromaticContact CD1-CD1 3.53Å; F704-Y739 HydrophobicContact CD1-CD1 3.53Å; F704-Y739 AromaticContact CD1-CD2 3.95Å; F704-Y739 HydrophobicContact CD1-CD2 3.95Å; F704-Y739 HydrophobicContact CD1-CE1 4.04Å; F704-Y739 HydrophobicContact CD1-CE2 4.4Å; F704-Y739 AromaticContact CD1-CG 3.48Å; F704-Y739 HydrophobicContact CD1-CG 3.48Å; F704-Y739 VanDerWaalsContact CD1-CG 3.48Å; F704-Y739 AromaticContact CE1-CD1 3.98Å; F704-Y739 HydrophobicContact CE1-CD1 3.98Å; F704-Y739 AromaticContact CE1-CG 3.81Å; F704-Y739 HydrophobicContact CE1-CG 3.81Å; F704-Y739 HydrophobicContact CG-CD2 4.42Å; F704-Y739 HydrophobicContact CG-CG 4.36Å; F704-F741 AromaticContact CE2-CE1 3.73Å; F704-F741 HydrophobicContact CE2-CE1 3.73Å; F704-F741 AromaticContact CE2-CZ 3.63Å; F704-F741 HydrophobicContact CE2-CZ 3.63Å; F704-F741 HydrophobicContact CZ-CD1 4.26Å; F704-F741 AromaticContact CZ-CE1 3.71Å; F704-F741 HydrophobicContact CZ-CE1 3.71Å; F704-F741 HydrophobicContact CZ-CE2 4.48Å; F704-F741 AromaticContact CZ-CZ 3.83Å; F704-F741 HydrophobicContact CZ-CZ 3.83Å
705	T	89.8	Confident	82	Confident	52 Å²	52	72.9 Å²	72.9	32%	0.319	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	124.7	178.4	-56.9	0	0	0	0	109.6	Q691	Q691-T705 HydrophobicContact CG-CG2 4.01Å; Q691-T705 PolarHBondContact NE2-OG1 3.34Å; Q691-T705 VanDerWaalsContact NE2-OG1 3.11Å
706	I	87.1	Confident	81.9	Confident	1 Å²	1	74 Å²	74	1%	0.005	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	102.8	173.9	-59.5	98.9	0	0	0	107.9	L690 I692 T708 I730 F737	L690-I706 HydrophobicContact CB-CB 4.39Å; L690-I706 HydrophobicContact CB-CD1 4.45Å; L690-I706 HydrophobicContact CD2-CD1 4.11Å; L690-I706 HydrophobicContact CG-CD1 4.27Å; L690-I706 PolarHBondContact O-N 3.48Å; I692-I706 HydrophobicContact CD1-CD1 4.1Å; I706-T708 VanDerWaalsContact C-N 3.26Å; I706-T708 HydrophobicContact CG2-CG2 3.99Å; I706-T708 PolarHBondContact O-N 2.88Å; I706-I730 HydrophobicContact CD1-CD1 4.33Å; I706-I730 HydrophobicContact CD1-CG2 3.97Å; I706-I730 HydrophobicContact CG1-CG2 4.37Å; I706-F737 HydrophobicContact CG1-CD2 4.27Å; I706-F737 HydrophobicContact CG2-CD2 4.03Å; I706-F737 HydrophobicContact CG2-CE1 4.34Å; I706-F737 HydrophobicContact CG2-CE2 3.49Å; I706-F737 VanDerWaalsContact CG2-CE2 3.49Å; I706-F737 HydrophobicContact CG2-CZ 3.68Å
707	S	69.1	Low	82.1	Confident	110 Å²	110	73.9 Å²	73.9	77%	0.769	37%	0.374	S	S	*	.			trans	-79	75.3	179	-58.1	0	0	0	0	110.5
708	T	63.7	Low	82.7	Confident	31 Å²	31	75.3 Å²	75.3	19%	0.19	38%	0.376	C	S	.	.			trans	-101.3	164.7	162.4	50.8	0	0	0	0	108.6	I706 M732	I706-T708 VanDerWaalsContact C-N 3.26Å; I706-T708 HydrophobicContact CG2-CG2 3.99Å; I706-T708 PolarHBondContact O-N 2.88Å; T708-M732 VanDerWaalsContact CB-CE 3.42Å; T708-M732 HydrophobicContact CG2-CE 3.05Å; T708-M732 WeakPolarHBondContact OG1-CE 2.86Å
709	E	77.9	Confident	83.7	Confident	173 Å²	173	68.7 Å²	68.7	81%	0.808	35%	0.347	S	S	*	.	S	Bend	trans	-48.2	163.2	177.1	-60.6	-179.4	164	0	0	111.6	L711	E709-L711 WeakPolarHBondContact O-CG 3.46Å; E709-L711 PolarHBondContact O-N 3.22Å
710	N	87.8	Confident	84.8	Confident	83 Å²	83	64.5 Å²	64.5	44%	0.444	33%	0.326	S	S	.	.			trans	-51.4	111.5	-179.4	179	0.3	0	0	0	111.1	G688 A712 N713	G688-N710 WeakPolarHBondContact CA-OD1 3.1Å; N710-A712 VanDerWaalsContact C-N 3.29Å; N710-A712 PolarHBondContact O-N 3.32Å; N710-A712 WeakPolarHBondContact OD1-CA 3.23Å; N710-A712 WeakPolarHBondContact OD1-CB 3.31Å; N710-A712 PolarHBondContact OD1-N 2.57Å; N710-N713 WeakPolarHBondContact O-CB 3.42Å; N710-N713 PolarHBondContact O-ND2 2.04Å; N710-N713 VanDerWaalsContact O-ND2 3.15Å
711	L	89.4	Confident	85.6	Confident	4 Å²	4	60 Å²	60	2%	0.021	31%	0.305	C	S	.	.	S	Bend	trans	-81.1	-9.3	-177.1	-60.3	175.1	0	0	0	112.7	F660 L684 G688 L690 E709 N713 M732	F660-L711 HydrophobicContact CE2-CB 4.38Å; F660-L711 HydrophobicContact CZ-CB 4.15Å; F660-L711 HydrophobicContact CZ-CD1 4.28Å; L684-L711 HydrophobicContact CD1-CB 4.43Å; L684-L711 HydrophobicContact CD2-CB 4.06Å; L684-L711 HydrophobicContact CD2-CD1 4.05Å; G688-L711 WeakPolarHBondContact O-CB 3.35Å; G688-L711 PolarHBondContact O-N 3.09Å; L690-L711 HydrophobicContact CB-CD1 3.73Å; E709-L711 WeakPolarHBondContact O-CG 3.46Å; E709-L711 PolarHBondContact O-N 3.22Å; L711-N713 PolarHBondContact O-N 2.92Å; L711-M732 HydrophobicContact CD2-SD 4.27Å
712	A	89.2	Confident	86	Confident	14 Å²	14	59.9 Å²	59.9	12%	0.116	30%	0.304	C	S	.	.			trans	-83.2	50.2	170.6	0	0	0	0	0	111	T662 A665 L684 N710	T662-A712 HydrophobicContact CG2-CB 4.21Å; T662-A712 CarbonylContact O-C 3.52Å; T662-A712 VanDerWaalsContact O-CA 3.22Å; T662-A712 WeakPolarHBondContact O-CA 3.41Å; A665-A712 HydrophobicContact CB-CB 3.91Å; L684-A712 HydrophobicContact CD1-CB 4.27Å; N710-A712 VanDerWaalsContact C-N 3.29Å; N710-A712 PolarHBondContact O-N 3.32Å; N710-A712 WeakPolarHBondContact OD1-CA 3.23Å; N710-A712 WeakPolarHBondContact OD1-CB 3.31Å; N710-A712 PolarHBondContact OD1-N 2.57Å
713	N	83.9	Confident	86.1	Confident	58 Å²	58	58.8 Å²	58.8	31%	0.31	30%	0.299	S	S	.	.	S	Bend	trans	-107.9	12.6	-170.6	61.5	23.4	0	0	0	113.9	T662 N710 L711 R715 H717	T662-N713 PolarHBondContact O-N 2.77Å; N710-N713 WeakPolarHBondContact O-CB 3.42Å; N710-N713 PolarHBondContact O-ND2 2.04Å; N710-N713 VanDerWaalsContact O-ND2 3.15Å; L711-N713 PolarHBondContact O-N 2.92Å; N713-R715 VanDerWaalsContact C-N 3.25Å; N713-R715 PolarHBondContact O-N 2.69Å; N713-R715 VanDerWaalsContact OD1-CB 3.23Å; N713-R715 WeakPolarHBondContact OD1-CB 3.5Å; N713-R715 PolarHBondContact OD1-N 3.18Å; N713-H717 PolarHBondContact ND2-NE2 2.85Å; N713-H717 PolarHBondContact OD1-NE2 2.79Å; N713-H717 VanDerWaalsContact OD1-NE2 3.14Å
714	R	79.6	Confident	86	Confident	128 Å²	128	59.3 Å²	59.3	48%	0.483	30%	0.299	S	S	.	.	S	Bend	trans	63	22.9	-176.6	-56.2	175.8	175.5	-164.5	-7.4	114.5	T662 A663 D819	T662-R714 PolarHBondContact O-N 3.15Å; A663-R714 HydrophobicContact CB-CG 3.73Å; R714-D819 IonicContact CZ-OD2 3.38Å; R714-D819 IonicContact NH1-OD2 2.73Å; R714-D819 IonicContact NH2-OD1 3.56Å; R714-D819 PolarHBondContact NH2-OD1 3.48Å; R714-D819 VanDerWaalsContact NH2-OD1 3.13Å; R714-D819 IonicContact NH2-OD2 3.53Å; R714-D819 PolarHBondContact NH2-OD2 3.01Å
715	R	80.6	Confident	85.8	Confident	177 Å²	177	59.5 Å²	59.5	67%	0.668	31%	0.307	S	S	*	.	S	Bend	trans	-109.2	158	170.6	-57.5	-179.5	177.3	-176.1	-0.5	110.9	M661 N713 H717	M661-R715 WeakPolarHBondContact CA-O 3.4Å; N713-R715 VanDerWaalsContact C-N 3.25Å; N713-R715 PolarHBondContact O-N 2.69Å; N713-R715 VanDerWaalsContact OD1-CB 3.23Å; N713-R715 WeakPolarHBondContact OD1-CB 3.5Å; N713-R715 PolarHBondContact OD1-N 3.18Å; R715-H717 PolarHBondContact O-CD2 3.13Å
716	V	84.9	Confident	85.6	Confident	71 Å²	71	60.3 Å²	60.3	43%	0.43	31%	0.313	S	S	.	.			trans	-76.2	126.6	173.4	-176.9	0	0	0	0	108.9	F660 M661 C814	F660-V716 CarbonylContact O-C 3.52Å; F660-V716 WeakPolarHBondContact O-CA 3.04Å; M661-V716 HydrophobicContact CE-CG2 3.46Å; M661-V716 VanDerWaalsContact CE-CG2 3.46Å; V716-C814 WeakPolarHBondContact CG2-O 3.48Å
717	H	88.8	Confident	85.7	Confident	16 Å²	16	64.9 Å²	64.9	7%	0.074	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	144.4	172.5	-69	-71	0	0	0	109.9	S659 F660 N713 R715 D733	S659-H717 CarbonylContact C-O 3.58Å; S659-H717 VanDerWaalsContact CA-O 3.23Å; S659-H717 WeakPolarHBondContact CA-O 3.19Å; F660-H717 HydrophobicContact CD1-CB 4.35Å; F660-H717 HydrophobicContact CE1-CB 3.84Å; F660-H717 HydrophobicContact CE2-CB 4.31Å; F660-H717 HydrophobicContact CZ-CB 3.82Å; F660-H717 PolarHBondContact N-O 3.45Å; F660-H717 PolarHBondContact O-N 3.25Å; N713-H717 PolarHBondContact ND2-NE2 2.85Å; N713-H717 PolarHBondContact OD1-NE2 2.79Å; N713-H717 VanDerWaalsContact OD1-NE2 3.14Å; R715-H717 PolarHBondContact O-CD2 3.13Å; H717-D733 WeakPolarHBondContact CA-OD1 3.37Å; H717-D733 IonicContact CE1-OD2 3.3Å; H717-D733 IonicContact ND1-OD1 3.24Å; H717-D733 IonicContact ND1-OD2 2.85Å; H717-D733 PolarHBondContact ND1-OD2 3.43Å
718	Q	90.6	Very high	86.8	Confident	76 Å²	76	59.6 Å²	59.6	36%	0.355	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129.3	177.5	-176.2	169.6	69	0	0	111.1	S659 M732 D733	S659-Q718 PolarHBondContact OG-NE2 3.43Å; Q718-M732 WeakPolarHBondContact O-CA 3.11Å; Q718-D733 PolarHBondContact N-OD1 3.41Å; Q718-D733 PolarHBondContact O-N 3.06Å
719	V	92.8	Very high	88.2	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.012	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	120.1	174.7	-177.2	0	0	0	0	108.5	T657 L658 F660 L690	T657-V719 WeakPolarHBondContact CA-O 3.45Å; L658-V719 HydrophobicContact CG-CB 4.45Å; L658-V719 PolarHBondContact N-O 2.78Å; L658-V719 PolarHBondContact O-N 2.91Å; F660-V719 HydrophobicContact CD1-CG2 4.27Å; F660-V719 HydrophobicContact CE1-CG2 3.73Å; L690-V719 HydrophobicContact CD1-CG2 4.42Å; L690-V719 HydrophobicContact CD2-CB 4.46Å; L690-V719 HydrophobicContact CD2-CG1 3.98Å; L690-V719 HydrophobicContact CD2-CG2 3.58Å
720	K	93.3	Very high	88.9	Confident	103 Å²	103	51.6 Å²	51.6	45%	0.448	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	120.7	172.3	178.3	176.7	-176.7	-176.3	0	109.1	I656 T657 I730 Q731	I656-K720 CarbonylContact O-C 3.54Å; I656-K720 WeakPolarHBondContact O-CA 3.22Å; T657-K720 HydrophobicContact CG2-CB 4.45Å; K720-I730 CarbonylContact O-C 3.51Å; K720-Q731 HydrophobicContact CB-CB 4.24Å; K720-Q731 PolarHBondContact N-O 3.04Å; K720-Q731 PolarHBondContact O-N 3.16Å
721	M	93.1	Very high	89	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	135.6	-178.1	175.6	-170	149.4	0	0	108.7	A655 I656 L680 I692 Y694 L728 S729 I730	A655-M721 CarbonylContact C-O 3.48Å; A655-M721 WeakPolarHBondContact CA-O 3.41Å; I656-M721 HydrophobicContact CB-CB 4.31Å; I656-M721 HydrophobicContact CD1-CE 4.35Å; I656-M721 HydrophobicContact CD1-SD 4.13Å; I656-M721 HydrophobicContact CG1-SD 4.44Å; I656-M721 PolarHBondContact N-O 3.43Å; I656-M721 PolarHBondContact O-N 3.32Å; L680-M721 HydrophobicContact CD1-CE 3.82Å; L680-M721 HydrophobicContact CD1-SD 4.49Å; I692-M721 HydrophobicContact CD1-SD 4.44Å; I692-M721 HydrophobicContact CG2-SD 4.29Å; Y694-M721 HydrophobicContact CE2-CE 3.68Å; Y694-M721 WeakPolarHBondContact OH-CE 3.44Å; M721-L728 HydrophobicContact CE-CD1 3.45Å; M721-L728 VanDerWaalsContact CE-CD1 3.45Å; M721-L728 HydrophobicContact CG-CD1 3.61Å; M721-L728 HydrophobicContact SD-CD1 4.12Å; M721-S729 CarbonylContact C-O 3.51Å; M721-S729 VanDerWaalsContact CA-O 3.32Å; M721-S729 WeakPolarHBondContact CA-O 3.37Å; M721-I730 HydrophobicContact CG-CG1 4.18Å
722	S	92.6	Very high	89	Confident	46 Å²	46	51 Å²	51	32%	0.322	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	125.2	174.7	179	0	0	0	0	110	E654 S729	E654-S722 CarbonylContact O-C 3.59Å; E654-S722 VanDerWaalsContact O-CA 3.29Å; E654-S722 WeakPolarHBondContact O-CA 3.04Å; S722-S729 WeakPolarHBondContact CB-OG 3.39Å; S722-S729 PolarHBondContact N-O 3.13Å; S722-S729 PolarHBondContact O-N 3.39Å; S722-S729 PolarHBondContact O-OG 2.94Å
723	R	91.1	Very high	88.4	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.015	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	128.7	174.1	-171.9	-174.1	63.8	73.8	-0.5	109.6	P651 K653 E654 G725 E727 L728	P651-R723 PolarHBondContact O-NH2 2.86Å; K653-R723 CarbonylContact C-O 3.42Å; K653-R723 VanDerWaalsContact CA-O 3.22Å; K653-R723 WeakPolarHBondContact CA-O 3.32Å; E654-R723 HydrophobicContact CB-CB 4.42Å; E654-R723 VanDerWaalsContact CD-NH2 3.3Å; E654-R723 PolarHBondContact N-O 2.92Å; E654-R723 PolarHBondContact O-N 3.16Å; E654-R723 IonicContact OE2-CZ 2.87Å; E654-R723 VanDerWaalsContact OE2-CZ 3.29Å; E654-R723 IonicContact OE2-NE 3.71Å; E654-R723 PolarHBondContact OE2-NE 3.21Å; E654-R723 IonicContact OE2-NH2 3.92Å; E654-R723 PolarHBondContact OE2-NH2 2.98Å; R723-G725 WeakPolarHBondContact CG-O 3.35Å; R723-G725 PolarHBondContact NH1-O 3.04Å; R723-E727 CarbonylContact C-O 3.33Å; R723-E727 VanDerWaalsContact CA-O 3.23Å; R723-E727 WeakPolarHBondContact CA-O 3.06Å; R723-E727 WeakPolarHBondContact CG-O 3.16Å; R723-L728 HydrophobicContact CB-CD1 4.29Å
724	D	89.6	Confident	88	Confident	75 Å²	75	59.5 Å²	59.5	40%	0.401	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	102.5	172.9	-166.3	-3.5	0	0	0	108.7	K653 E727	K653-D724 VanDerWaalsContact CE-CG 3.48Å; K653-D724 WeakPolarHBondContact CE-OD1 3.26Å; K653-D724 VanDerWaalsContact CE-OD2 3.22Å; K653-D724 WeakPolarHBondContact CE-OD2 3.43Å; K653-D724 HydrophobicContact CG-CB 4.43Å; K653-D724 WeakPolarHBondContact CG-OD1 3.2Å; K653-D724 IonicContact NZ-OD1 3.62Å; K653-D724 IonicContact NZ-OD2 3.47Å; K653-D724 PolarHBondContact NZ-OD2 2.82Å; D724-E727 PolarHBondContact N-O 2.83Å; D724-E727 PolarHBondContact O-N 2.84Å; D724-E727 VanDerWaalsContact O-N 3.09Å
725	G	86.1	Confident	88	Confident	25 Å²	25	58.4 Å²	58.4	26%	0.258	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	-123	-169.3	0	0	0	0	0	111.8	S652 R723	S652-G725 PolarHBondContact O-N 3.16Å; R723-G725 WeakPolarHBondContact CG-O 3.35Å; R723-G725 PolarHBondContact NH1-O 3.04Å
726	P	86.9	Confident	88.3	Confident	68 Å²	68	55.9 Å²	55.9	44%	0.442	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-10.6	177.7	35.2	-35.2	0	0	0	113.6	N740 F741	P726-N740 CarbonylContact O-C 3.53Å; P726-N740 WeakPolarHBondContact O-CA 3.46Å; P726-F741 HydrophobicContact CB-CB 4.35Å; P726-F741 WeakPolarHBondContact O-CD2 3.36Å; P726-F741 PolarHBondContact O-N 3.19Å
727	E	89.7	Confident	88.5	Confident	97 Å²	97	55.1 Å²	55.1	45%	0.453	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	128.6	-178.3	-171.6	176	-175.2	0	0	110.5	R723 D724 S738 N740	R723-E727 CarbonylContact C-O 3.33Å; R723-E727 VanDerWaalsContact CA-O 3.23Å; R723-E727 WeakPolarHBondContact CA-O 3.06Å; R723-E727 WeakPolarHBondContact CG-O 3.16Å; D724-E727 PolarHBondContact N-O 2.83Å; D724-E727 PolarHBondContact O-N 2.84Å; D724-E727 VanDerWaalsContact O-N 3.09Å; E727-S738 PolarHBondContact OE1-OG 2.83Å; E727-N740 WeakPolarHBondContact CA-OD1 3.37Å
728	L	91.9	Very high	88.5	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	114	176.6	176.5	62	0	0	0	109.8	Y694 F704 M721 R723 I730 S738 Y739 F741	Y694-L728 HydrophobicContact CE2-CD2 4.36Å; F704-L728 HydrophobicContact CD2-CD2 3.64Å; F704-L728 HydrophobicContact CE2-CD2 3.56Å; F704-L728 HydrophobicContact CG-CD2 4.17Å; F704-L728 HydrophobicContact CZ-CD2 4.02Å; M721-L728 HydrophobicContact CE-CD1 3.45Å; M721-L728 VanDerWaalsContact CE-CD1 3.45Å; M721-L728 HydrophobicContact CG-CD1 3.61Å; M721-L728 HydrophobicContact SD-CD1 4.12Å; R723-L728 HydrophobicContact CB-CD1 4.29Å; L728-I730 HydrophobicContact CD1-CG1 4.29Å; L728-I730 HydrophobicContact CD2-CD1 3.85Å; L728-I730 HydrophobicContact CD2-CG1 4.44Å; L728-I730 HydrophobicContact CG-CD1 4Å; L728-I730 HydrophobicContact CG-CG1 4.11Å; L728-S738 CarbonylContact O-C 3.59Å; L728-S738 WeakPolarHBondContact O-CA 3.34Å; L728-Y739 PolarHBondContact N-O 2.9Å; L728-Y739 PolarHBondContact O-N 2.76Å; L728-F741 HydrophobicContact CB-CD2 4.39Å; L728-F741 HydrophobicContact CB-CE2 3.84Å; L728-F741 HydrophobicContact CD2-CE2 4.04Å; L728-F741 HydrophobicContact CD2-CZ 4.07Å; L728-F741 HydrophobicContact CG-CE2 4.44Å
729	S	92.8	Very high	88.5	Confident	35 Å²	35	57 Å²	57	25%	0.245	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	130.9	172.1	62.5	0	0	0	0	110.5	M721 S722 F737	M721-S729 CarbonylContact C-O 3.51Å; M721-S729 VanDerWaalsContact CA-O 3.32Å; M721-S729 WeakPolarHBondContact CA-O 3.37Å; S722-S729 WeakPolarHBondContact CB-OG 3.39Å; S722-S729 PolarHBondContact N-O 3.13Å; S722-S729 PolarHBondContact O-N 3.39Å; S722-S729 PolarHBondContact O-OG 2.94Å; S729-F737 CarbonylContact C-O 3.54Å; S729-F737 WeakPolarHBondContact CA-O 3.44Å
730	I	92.4	Very high	88.3	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	115.6	177.8	-63.2	152.4	0	0	0	107.6	I692 F704 I706 K720 M721 L728 F737 Y739	I692-I730 HydrophobicContact CD1-CB 4.46Å; I692-I730 HydrophobicContact CD1-CD1 3.39Å; I692-I730 HydrophobicContact CD1-CG1 3.65Å; I692-I730 HydrophobicContact CD1-CG2 3.94Å; F704-I730 HydrophobicContact CB-CD1 4.34Å; I706-I730 HydrophobicContact CD1-CD1 4.33Å; I706-I730 HydrophobicContact CD1-CG2 3.97Å; I706-I730 HydrophobicContact CG1-CG2 4.37Å; K720-I730 CarbonylContact O-C 3.51Å; M721-I730 HydrophobicContact CG-CG1 4.18Å; L728-I730 HydrophobicContact CD1-CG1 4.29Å; L728-I730 HydrophobicContact CD2-CD1 3.85Å; L728-I730 HydrophobicContact CD2-CG1 4.44Å; L728-I730 HydrophobicContact CG-CD1 4Å; L728-I730 HydrophobicContact CG-CG1 4.11Å; I730-F737 PolarHBondContact N-O 3.5Å; I730-F737 PolarHBondContact O-N 2.94Å; I730-Y739 HydrophobicContact CD1-CD2 3.9Å; I730-Y739 HydrophobicContact CD1-CE2 3.86Å
731	Q	90.7	Very high	88	Confident	68 Å²	68	57.8 Å²	57.8	32%	0.318	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	120.4	171	-176.9	-177.7	-7.6	0	0	108.6	K720 D733 Q735 L736	K720-Q731 HydrophobicContact CB-CB 4.24Å; K720-Q731 PolarHBondContact N-O 3.04Å; K720-Q731 PolarHBondContact O-N 3.16Å; Q731-D733 PolarHBondContact NE2-O 2.88Å; Q731-Q735 CarbonylContact C-O 3.53Å; Q731-Q735 VanDerWaalsContact CA-O 3.28Å; Q731-Q735 WeakPolarHBondContact CA-O 3.39Å; Q731-L736 HydrophobicContact CB-CD1 3.92Å
732	M	87.6	Confident	87.6	Confident	8 Å²	8	60 Å²	60	4%	0.039	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	115	173.7	-165.5	-74.9	-62.7	0	0	108	L690 T708 L711 Q718 Q734 Q735 F737	L690-M732 HydrophobicContact CD2-CG 4.26Å; T708-M732 VanDerWaalsContact CB-CE 3.42Å; T708-M732 HydrophobicContact CG2-CE 3.05Å; T708-M732 WeakPolarHBondContact OG1-CE 2.86Å; L711-M732 HydrophobicContact CD2-SD 4.27Å; Q718-M732 WeakPolarHBondContact O-CA 3.11Å; M732-Q734 PolarHBondContact O-N 3.3Å; M732-Q735 PolarHBondContact N-O 2.81Å; M732-Q735 PolarHBondContact O-N 3.46Å; M732-F737 HydrophobicContact CB-CE2 4.49Å
733	D	78.6	Confident	86.8	Confident	62 Å²	62	63.6 Å²	63.6	33%	0.332	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	-103.4	-169.2	-59.7	-28.3	0	0	0	111.7	H717 Q718 Q731	H717-D733 WeakPolarHBondContact CA-OD1 3.37Å; H717-D733 IonicContact CE1-OD2 3.3Å; H717-D733 IonicContact ND1-OD1 3.24Å; H717-D733 IonicContact ND1-OD2 2.85Å; H717-D733 PolarHBondContact ND1-OD2 3.43Å; Q718-D733 PolarHBondContact N-OD1 3.41Å; Q718-D733 PolarHBondContact O-N 3.06Å; Q731-D733 PolarHBondContact NE2-O 2.88Å
734	Q	75	Confident	86.2	Confident	188 Å²	188	71.1 Å²	71.1	88%	0.879	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-1.1	179.1	-64.7	-176.3	-6.4	0	0	114.1	M732	M732-Q734 PolarHBondContact O-N 3.3Å
735	Q	79.7	Confident	85.8	Confident	105 Å²	105	68.7 Å²	68.7	49%	0.491	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	134.4	-176.8	-65.9	-178.2	0.1	0	0	111	Q731 M732 F737	Q731-Q735 CarbonylContact C-O 3.53Å; Q731-Q735 VanDerWaalsContact CA-O 3.28Å; Q731-Q735 WeakPolarHBondContact CA-O 3.39Å; M732-Q735 PolarHBondContact N-O 2.81Å; M732-Q735 PolarHBondContact O-N 3.46Å; Q735-F737 HydrophobicContact CB-CE2 3.75Å; Q735-F737 HydrophobicContact CB-CZ 4.03Å
736	L	86.8	Confident	85.5	Confident	124 Å²	124	74.3 Å²	74.3	65%	0.649	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.1	179.8	-174.7	70.5	0	0	0	110.2	Q731	Q731-L736 HydrophobicContact CB-CD1 3.92Å
737	F	88.6	Confident	85.2	Confident	55 Å²	55	72.9 Å²	72.9	24%	0.241	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	136.3	175.7	-55.5	-89.4	0	0	0	108.5	I706 S729 I730 M732 Q735 Y739	I706-F737 HydrophobicContact CG1-CD2 4.27Å; I706-F737 HydrophobicContact CG2-CD2 4.03Å; I706-F737 HydrophobicContact CG2-CE1 4.34Å; I706-F737 HydrophobicContact CG2-CE2 3.49Å; I706-F737 VanDerWaalsContact CG2-CE2 3.49Å; I706-F737 HydrophobicContact CG2-CZ 3.68Å; S729-F737 CarbonylContact C-O 3.54Å; S729-F737 WeakPolarHBondContact CA-O 3.44Å; I730-F737 PolarHBondContact N-O 3.5Å; I730-F737 PolarHBondContact O-N 2.94Å; M732-F737 HydrophobicContact CB-CE2 4.49Å; Q735-F737 HydrophobicContact CB-CE2 3.75Å; Q735-F737 HydrophobicContact CB-CZ 4.03Å; F737-Y739 HydrophobicContact CB-CE2 3.68Å
738	S	89.4	Confident	84.8	Confident	66 Å²	66	71.7 Å²	71.7	46%	0.462	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	136.4	175.3	-175.6	0	0	0	0	110	E727 L728	E727-S738 PolarHBondContact OE1-OG 2.83Å; L728-S738 CarbonylContact O-C 3.59Å; L728-S738 WeakPolarHBondContact O-CA 3.34Å
739	Y	90.3	Very high	84.4	Confident	65 Å²	65	74 Å²	74	26%	0.255	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	155.6	-179.7	-58.2	-87	0	0	0	109.3	F704 L728 I730 F737	F704-Y739 HydrophobicContact CB-CE2 4.36Å; F704-Y739 AromaticContact CD1-CD1 3.53Å; F704-Y739 HydrophobicContact CD1-CD1 3.53Å; F704-Y739 AromaticContact CD1-CD2 3.95Å; F704-Y739 HydrophobicContact CD1-CD2 3.95Å; F704-Y739 HydrophobicContact CD1-CE1 4.04Å; F704-Y739 HydrophobicContact CD1-CE2 4.4Å; F704-Y739 AromaticContact CD1-CG 3.48Å; F704-Y739 HydrophobicContact CD1-CG 3.48Å; F704-Y739 VanDerWaalsContact CD1-CG 3.48Å; F704-Y739 AromaticContact CE1-CD1 3.98Å; F704-Y739 HydrophobicContact CE1-CD1 3.98Å; F704-Y739 AromaticContact CE1-CG 3.81Å; F704-Y739 HydrophobicContact CE1-CG 3.81Å; F704-Y739 HydrophobicContact CG-CD2 4.42Å; F704-Y739 HydrophobicContact CG-CG 4.36Å; L728-Y739 PolarHBondContact N-O 2.9Å; L728-Y739 PolarHBondContact O-N 2.76Å; I730-Y739 HydrophobicContact CD1-CD2 3.9Å; I730-Y739 HydrophobicContact CD1-CE2 3.86Å; F737-Y739 HydrophobicContact CB-CE2 3.68Å
740	N	87.5	Confident	84.1	Confident	112 Å²	112	73 Å²	73	60%	0.599	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.4	175.5	-75.6	-54.9	0	0	0	110.3	P726 E727	P726-N740 CarbonylContact O-C 3.53Å; P726-N740 WeakPolarHBondContact O-CA 3.46Å; E727-N740 WeakPolarHBondContact CA-OD1 3.37Å
741	F	86.9	Confident	83.9	Confident	10 Å²	10	79.2 Å²	79.2	4%	0.044	40%	0.398	C	S	.	.			trans	-76.5	149.2	169.4	-71.6	-80.8	0	0	0	110.7	Y694 H702 F704 P726 L728 V745 F747	Y694-F741 HydrophobicContact CD1-CZ 4.29Å; Y694-F741 HydrophobicContact CD2-CE1 4.28Å; Y694-F741 AromaticContact CD2-CZ 3.71Å; Y694-F741 HydrophobicContact CD2-CZ 3.71Å; Y694-F741 HydrophobicContact CE1-CZ 4.38Å; Y694-F741 AromaticContact CE2-CZ 3.8Å; Y694-F741 HydrophobicContact CE2-CZ 3.8Å; Y694-F741 HydrophobicContact CG-CE1 4.16Å; Y694-F741 AromaticContact CG-CZ 3.93Å; Y694-F741 HydrophobicContact CG-CZ 3.93Å; H702-F741 HydrophobicContact CB-CD1 4.46Å; H702-F741 HydrophobicContact CB-CE1 3.94Å; H702-F741 AromaticContact CD2-CD1 3.99Å; F704-F741 AromaticContact CE2-CE1 3.73Å; F704-F741 HydrophobicContact CE2-CE1 3.73Å; F704-F741 AromaticContact CE2-CZ 3.63Å; F704-F741 HydrophobicContact CE2-CZ 3.63Å; F704-F741 HydrophobicContact CZ-CD1 4.26Å; F704-F741 AromaticContact CZ-CE1 3.71Å; F704-F741 HydrophobicContact CZ-CE1 3.71Å; F704-F741 HydrophobicContact CZ-CE2 4.48Å; F704-F741 AromaticContact CZ-CZ 3.83Å; F704-F741 HydrophobicContact CZ-CZ 3.83Å; P726-F741 HydrophobicContact CB-CB 4.35Å; P726-F741 WeakPolarHBondContact O-CD2 3.36Å; P726-F741 PolarHBondContact O-N 3.19Å; L728-F741 HydrophobicContact CB-CD2 4.39Å; L728-F741 HydrophobicContact CB-CE2 3.84Å; L728-F741 HydrophobicContact CD2-CE2 4.04Å; L728-F741 HydrophobicContact CD2-CZ 4.07Å; L728-F741 HydrophobicContact CG-CE2 4.44Å; F741-V745 HydrophobicContact CB-CB 4.43Å; F741-V745 HydrophobicContact CB-CG2 4.37Å; F741-F747 HydrophobicContact CB-CZ 4.33Å; F741-F747 HydrophobicContact CD1-CZ 4.38Å; F741-F747 HydrophobicContact CD2-CE1 4.29Å; F741-F747 AromaticContact CD2-CZ 3.67Å; F741-F747 HydrophobicContact CD2-CZ 3.67Å; F741-F747 HydrophobicContact CE2-CE1 4.15Å; F741-F747 AromaticContact CE2-CZ 3.98Å; F741-F747 HydrophobicContact CE2-CZ 3.98Å; F741-F747 AromaticContact CG-CZ 3.88Å; F741-F747 HydrophobicContact CG-CZ 3.88Å; F741-F747 HydrophobicContact CZ-CE1 4.31Å; F741-F747 HydrophobicContact CZ-CZ 4.47Å
742	P	85.2	Confident	83.9	Confident	46 Å²	46	76.4 Å²	76.4	30%	0.299	39%	0.385	S	S	.	.			trans	-56.4	148.2	168.8	-21.5	31.1	0	0	0	111.8	H702 E744 V745	H702-P742 WeakPolarHBondContact NE2-CD 3.4Å; P742-E744 PolarHBondContact O-N 2.9Å; P742-V745 HydrophobicContact CB-CG2 4.17Å; P742-V745 HydrophobicContact CG-CG2 4.27Å; P742-V745 WeakPolarHBondContact O-CB 3.24Å; P742-V745 WeakPolarHBondContact O-CG2 3.37Å; P742-V745 PolarHBondContact O-N 3.22Å
743	P	76.2	Confident	84.3	Confident	123 Å²	123	76 Å²	76	80%	0.799	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-18	-177.1	26.5	-33.6	0	0	0	114	V745	P743-V745 VanDerWaalsContact C-N 3.27Å; P743-V745 PolarHBondContact O-N 3.02Å
744	E	79.3	Confident	85.1	Confident	162 Å²	162	73.7 Å²	73.7	76%	0.757	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-3.6	177.8	-57.1	101.3	-178	0	0	114.2	P742 E746	P742-E744 PolarHBondContact O-N 2.9Å; E744-E746 PolarHBondContact O-N 2.9Å
745	V	79.4	Confident	86.1	Confident	23 Å²	23	64.8 Å²	64.8	14%	0.139	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-76.4	117.4	-174.8	175.4	0	0	0	0	111.7	L696 F741 P742 P743 F747	L696-V745 HydrophobicContact CD1-CG1 3.17Å; L696-V745 HydrophobicContact CG-CG1 4.49Å; F741-V745 HydrophobicContact CB-CB 4.43Å; F741-V745 HydrophobicContact CB-CG2 4.37Å; P742-V745 HydrophobicContact CB-CG2 4.17Å; P742-V745 HydrophobicContact CG-CG2 4.27Å; P742-V745 WeakPolarHBondContact O-CB 3.24Å; P742-V745 WeakPolarHBondContact O-CG2 3.37Å; P742-V745 PolarHBondContact O-N 3.22Å; P743-V745 VanDerWaalsContact C-N 3.27Å; P743-V745 PolarHBondContact O-N 3.02Å; V745-F747 HydrophobicContact CG1-CD2 4.48Å; V745-F747 HydrophobicContact CG1-CE1 4.09Å; V745-F747 HydrophobicContact CG1-CE2 4Å; V745-F747 HydrophobicContact CG1-CZ 3.78Å
746	E	79.5	Confident	86.7	Confident	144 Å²	144	59.8 Å²	59.8	67%	0.673	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-95.9	122.1	169.5	-70.2	-167.1	165.6	0	0	111.2	E744	E744-E746 PolarHBondContact O-N 2.9Å
747	F	82.3	Confident	87	Confident	38 Å²	38	56.9 Å²	56.9	17%	0.167	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-84.3	148.1	174.6	-61.9	-82.7	0	0	0	111.3	A650 Y694 L696 F741 V745	A650-F747 HydrophobicContact CB-CB 3.71Å; A650-F747 WeakPolarHBondContact CB-O 3.42Å; Y694-F747 HydrophobicContact CD1-CE1 4.47Å; Y694-F747 HydrophobicContact CE1-CD1 4.38Å; Y694-F747 HydrophobicContact CE1-CE1 4.13Å; L696-F747 HydrophobicContact CD1-CD1 3.89Å; L696-F747 HydrophobicContact CD1-CE1 3.72Å; L696-F747 HydrophobicContact CD1-CZ 4.48Å; L696-F747 HydrophobicContact CD2-CD1 4.23Å; F741-F747 HydrophobicContact CB-CZ 4.33Å; F741-F747 HydrophobicContact CD1-CZ 4.38Å; F741-F747 HydrophobicContact CD2-CE1 4.29Å; F741-F747 AromaticContact CD2-CZ 3.67Å; F741-F747 HydrophobicContact CD2-CZ 3.67Å; F741-F747 HydrophobicContact CE2-CE1 4.15Å; F741-F747 AromaticContact CE2-CZ 3.98Å; F741-F747 HydrophobicContact CE2-CZ 3.98Å; F741-F747 AromaticContact CG-CZ 3.88Å; F741-F747 HydrophobicContact CG-CZ 3.88Å; F741-F747 HydrophobicContact CZ-CE1 4.31Å; F741-F747 HydrophobicContact CZ-CZ 4.47Å; V745-F747 HydrophobicContact CG1-CD2 4.48Å; V745-F747 HydrophobicContact CG1-CE1 4.09Å; V745-F747 HydrophobicContact CG1-CE2 4Å; V745-F747 HydrophobicContact CG1-CZ 3.78Å
748	Q	81.4	Confident	87.1	Confident	71 Å²	71	54.4 Å²	54.4	33%	0.332	28%	0.278	S	S	.	.			trans	-114	157.6	-179.5	-68.3	-180	-4.4	0	0	111.5	F674 N678	F674-Q748 HydrophobicContact CB-CB 3.99Å; F674-Q748 HydrophobicContact CG-CB 4.41Å; N678-Q748 PolarHBondContact ND2-NE2 3.26Å; N678-Q748 PolarHBondContact ND2-OE1 2.9Å
749	T	82.3	Confident	87	Confident	48 Å²	48	54.4 Å²	54.4	29%	0.294	28%	0.275	S	S	.	.			trans	-69.4	140.3	175.6	49.2	0	0	0	0	111.1	D648	D648-T749 HydrophobicContact CB-CG2 4.05Å
750	V	87.2	Confident	86.6	Confident	16 Å²	16	58.3 Å²	58.3	10%	0.097	30%	0.296	C	S	.	.			trans	-75.7	131.5	176.5	-179.4	0	0	0	0	109.9	F628 L672 F674 S752 Y785	F628-V750 HydrophobicContact CD2-CB 4.4Å; F628-V750 HydrophobicContact CD2-CG1 3.79Å; F628-V750 HydrophobicContact CE2-CB 4.22Å; F628-V750 HydrophobicContact CE2-CG1 3.43Å; F628-V750 VanDerWaalsContact CE2-CG1 3.43Å; F628-V750 HydrophobicContact CZ-CG1 4.09Å; L672-V750 HydrophobicContact CB-CG1 4.2Å; L672-V750 HydrophobicContact CB-CG2 4.4Å; L672-V750 HydrophobicContact CD1-CG2 4.17Å; L672-V750 HydrophobicContact CD2-CG1 4.22Å; F674-V750 HydrophobicContact CD1-CB 4.39Å; F674-V750 HydrophobicContact CD1-CG2 3.69Å; F674-V750 HydrophobicContact CE1-CG2 3.43Å; F674-V750 VanDerWaalsContact CE1-CG2 3.43Å; V750-S752 WeakPolarHBondContact CG1-O 3.41Å; V750-Y785 HydrophobicContact CG2-CE1 4.49Å; V750-Y785 HydrophobicContact CG2-CE2 4.49Å; V750-Y785 VanDerWaalsContact CG2-OH 3.27Å; V750-Y785 WeakPolarHBondContact CG2-OH 3.19Å
751	R	88.6	Confident	86.1	Confident	130 Å²	130	57 Å²	57	49%	0.491	29%	0.292	S	S	.	.			trans	-94.5	-41	174.8	-66.2	-178.2	179.6	-152	-8.4	112.7	F628 N673 F674	F628-R751 WeakPolarHBondContact CD2-O 3.29Å; F628-R751 PolarHBondContact N-O 3.46Å; N673-R751 PolarHBondContact O-N 3.33Å; F674-R751 VanDerWaalsContact O-CD 3.22Å; F674-R751 WeakPolarHBondContact O-CD 3.33Å; F674-R751 WeakPolarHBondContact O-CG 3.02Å; F674-R751 PolarHBondContact O-NE 2.91Å; F674-R751 VanDerWaalsContact O-NE 3.09Å
752	S	91.1	Very high	85.3	Confident	8 Å²	8	65 Å²	65	6%	0.056	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	152.4	177.6	65.7	0	0	0	0	112.6	Y626 L672 N673 V750	Y626-S752 CarbonylContact O-C 3.5Å; Y626-S752 VanDerWaalsContact O-CA 3.26Å; Y626-S752 WeakPolarHBondContact O-CA 3.48Å; Y626-S752 WeakPolarHBondContact O-CB 3.22Å; L672-S752 WeakPolarHBondContact CA-O 3.41Å; N673-S752 WeakPolarHBondContact CB-OG 3.48Å; N673-S752 PolarHBondContact N-O 3.01Å; N673-S752 PolarHBondContact O-N 3.31Å; V750-S752 WeakPolarHBondContact CG1-O 3.41Å
753	L	94.1	Very high	84.6	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.005	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	127.6	172.8	177.8	163.7	0	0	0	108.3	T625 Y626 F628 L670 L672 L755 Y785 P790	T625-L753 CarbonylContact C-O 3.59Å; T625-L753 WeakPolarHBondContact CA-O 3.48Å; Y626-L753 PolarHBondContact N-O 3.13Å; Y626-L753 PolarHBondContact O-N 3.38Å; F628-L753 HydrophobicContact CE2-CB 3.95Å; F628-L753 HydrophobicContact CZ-CB 4.45Å; L670-L753 HydrophobicContact CD1-CD1 4.38Å; L672-L753 HydrophobicContact CD2-CB 3.6Å; L672-L753 HydrophobicContact CD2-CD1 3.63Å; L672-L753 HydrophobicContact CD2-CG 3.5Å; L753-L755 HydrophobicContact CD2-CD1 4.49Å; L753-L755 HydrophobicContact CD2-CD2 3.77Å; L753-L755 HydrophobicContact CD2-CG 3.8Å; L753-Y785 HydrophobicContact CD1-CD2 4.48Å; L753-Y785 HydrophobicContact CD1-CG 3.99Å; L753-P790 HydrophobicContact CD1-CG 4.01Å; L753-P790 HydrophobicContact CD2-CB 3.92Å; L753-P790 HydrophobicContact CD2-CG 3.73Å
754	I	95.3	Very high	84.9	Confident	13 Å²	13	61 Å²	61	7%	0.067	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	130.2	-178	-52.3	173.9	0	0	0	109.1	V624 T625 Y671 V758	V624-I754 CarbonylContact O-C 3.51Å; V624-I754 VanDerWaalsContact O-CA 3.31Å; V624-I754 WeakPolarHBondContact O-CA 3.5Å; T625-I754 HydrophobicContact CG2-CG1 4.05Å; Y671-I754 HydrophobicContact CD1-CD1 4.13Å; Y671-I754 PolarHBondContact N-O 2.95Å; Y671-I754 PolarHBondContact O-N 2.73Å; I754-V758 HydrophobicContact CB-CG2 4.31Å; I754-V758 HydrophobicContact CD1-CB 4.49Å; I754-V758 HydrophobicContact CD1-CG1 4.03Å; I754-V758 HydrophobicContact CD1-CG2 4.18Å; I754-V758 HydrophobicContact CG2-CG2 4.06Å
755	L	96.1	Very high	85.3	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	143.3	169.5	-50.9	173.7	0	0	0	109	F618 S623 V624 L670 L753 L780 V783 P790 L791	F618-L755 HydrophobicContact CE1-CB 3.91Å; F618-L755 HydrophobicContact CZ-CB 3.92Å; F618-L755 HydrophobicContact CZ-CD1 4.41Å; S623-L755 WeakPolarHBondContact CA-O 3.39Å; V624-L755 HydrophobicContact CB-CB 4.22Å; V624-L755 PolarHBondContact N-O 3.45Å; V624-L755 PolarHBondContact O-N 2.93Å; L670-L755 HydrophobicContact CB-CD2 4.13Å; L670-L755 HydrophobicContact CD1-CD2 3.84Å; L670-L755 HydrophobicContact CG-CD2 3.96Å; L753-L755 HydrophobicContact CD2-CD1 4.49Å; L753-L755 HydrophobicContact CD2-CD2 3.77Å; L753-L755 HydrophobicContact CD2-CG 3.8Å; L755-L780 HydrophobicContact CB-CD1 4Å; L755-L780 HydrophobicContact CD1-CD1 4.4Å; L755-L780 HydrophobicContact CD2-CD1 4.33Å; L755-L780 HydrophobicContact CG-CD1 4.48Å; L755-V783 HydrophobicContact CD1-CB 4.37Å; L755-V783 HydrophobicContact CD1-CG1 3.9Å; L755-V783 HydrophobicContact CD1-CG2 4.34Å; L755-V783 HydrophobicContact CD2-CG1 3.91Å; L755-P790 HydrophobicContact CD1-CG 4.4Å; L755-L791 HydrophobicContact CD1-CB 4.18Å
756	G	92.8	Very high	85.6	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	82.2	-126.7	-176.2	0	0	0	0	0	112.4	T622	T622-G756 CarbonylContact O-C 3.42Å; T622-G756 WeakPolarHBondContact O-CA 3.4Å
757	K	92.9	Very high	86	Confident	63 Å²	63	55.3 Å²	55.3	27%	0.274	30%	0.299	S	S	.	.			trans	-88.6	130.9	-177.8	-171.1	166.4	-177.9	157.9	0	111.9	T622 S623 N772 T773	T622-K757 PolarHBondContact O-N 3.1Å; S623-K757 WeakPolarHBondContact CB-O 3.25Å; S623-K757 PolarHBondContact OG-O 2.84Å; K757-N772 WeakPolarHBondContact CA-OD1 3.44Å; K757-T773 PolarHBondContact NZ-O 2.81Å
758	V	92.1	Very high	86.3	Confident	3 Å²	3	53.5 Å²	53.5	2%	0.018	29%	0.291	C	S	.	.			trans	-80.4	118.8	166.5	179.4	0	0	0	0	108.7	L668 Y671 I754 L764 N772	L668-V758 HydrophobicContact CD2-CG2 3.54Å; Y671-V758 HydrophobicContact CD1-CG2 3.89Å; Y671-V758 HydrophobicContact CD2-CG2 4.25Å; Y671-V758 HydrophobicContact CG-CG2 3.69Å; I754-V758 HydrophobicContact CB-CG2 4.31Å; I754-V758 HydrophobicContact CD1-CB 4.49Å; I754-V758 HydrophobicContact CD1-CG1 4.03Å; I754-V758 HydrophobicContact CD1-CG2 4.18Å; I754-V758 HydrophobicContact CG2-CG2 4.06Å; V758-L764 HydrophobicContact CG1-CD1 4.29Å; V758-L764 HydrophobicContact CG1-CD2 4.49Å; V758-N772 PolarHBondContact N-OD1 2.78Å; V758-N772 PolarHBondContact O-ND2 3.43Å
759	T	86.3	Confident	86.8	Confident	65 Å²	65	52 Å²	52	40%	0.399	29%	0.29	S	S	.	.	S	Bend	trans	-81.4	-33.4	-174.6	50.5	0	0	0	0	112.8	T761	T759-T761 PolarHBondContact O-N 2.76Å
760	E	81.5	Confident	87.2	Confident	148 Å²	148	54.7 Å²	54.7	69%	0.692	30%	0.298	S	S	*	.			trans	-85.5	96.3	176.1	-69	-177.9	179.3	0	0	110.2
761	T	76.8	Confident	87.4	Confident	85 Å²	85	54 Å²	54	52%	0.521	29%	0.294	S	S	.	.			trans	-96.5	-6.6	-173.8	61.1	0	0	0	0	115.4	T759 G763 L764	T759-T761 PolarHBondContact O-N 2.76Å; T761-G763 PolarHBondContact O-N 3.24Å; T761-L764 HydrophobicContact CG2-CD1 3.95Å; T761-L764 PolarHBondContact O-N 3.42Å
762	L	71.7	Confident	87.6	Confident	176 Å²	176	48 Å²	48	92%	0.921	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	111.4	-179.8	-84.5	150.1	0	0	0	110.2
763	G	70.5	Confident	87.5	Confident	64 Å²	64	52.1 Å²	52.1	66%	0.66	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.4	9.2	178.3	0	0	0	0	0	115.4	T761	T761-G763 PolarHBondContact O-N 3.24Å
764	L	82.7	Confident	87	Confident	22 Å²	22	55.1 Å²	55.1	12%	0.115	31%	0.312	C	S	.	.			trans	-61.4	143.4	170.1	-82.9	168.9	0	0	0	111.1	Y671 V758 T761 V768 A769	Y671-L764 HydrophobicContact CE2-CD2 3.86Å; V758-L764 HydrophobicContact CG1-CD1 4.29Å; V758-L764 HydrophobicContact CG1-CD2 4.49Å; T761-L764 HydrophobicContact CG2-CD1 3.95Å; T761-L764 PolarHBondContact O-N 3.42Å; L764-V768 HydrophobicContact CD2-CG1 3.91Å; L764-A769 HydrophobicContact CB-CB 4.19Å
765	D	85.9	Confident	86.7	Confident	23 Å²	23	54.6 Å²	54.6	12%	0.123	31%	0.31	C	S	.	.			trans	-57.3	140.1	171.2	-176.4	-89.6	0	0	0	111.1	F679 R695 E767 V768 A769	F679-D765 HydrophobicContact CE1-CB 3.94Å; F679-D765 HydrophobicContact CZ-CB 3.66Å; R695-D765 IonicContact NH1-OD2 3.84Å; D765-E767 PolarHBondContact O-N 2.67Å; D765-E767 PolarHBondContact OD1-N 2.89Å; D765-V768 HydrophobicContact CB-CB 4.26Å; D765-V768 HydrophobicContact CB-CG2 4.02Å; D765-V768 PolarHBondContact O-N 2.8Å; D765-A769 VanDerWaalsContact O-CB 3.32Å; D765-A769 WeakPolarHBondContact O-CB 3.41Å; D765-A769 PolarHBondContact O-N 3.03Å
766	P	87.4	Confident	86.6	Confident	87 Å²	87	54.6 Å²	54.6	57%	0.565	31%	0.31	S	S	*	.	H	α-helix	trans	-57.3	-31.3	-175.9	-26	34.6	0	0	0	115	K770	P766-K770 VanDerWaalsContact O-CG 3.31Å; P766-K770 WeakPolarHBondContact O-CG 3.19Å; P766-K770 PolarHBondContact O-N 3.15Å
767	E	86.1	Confident	86.4	Confident	100 Å²	100	55.2 Å²	55.2	47%	0.467	31%	0.314	S	S	.	.	H	α-helix	trans	-76.8	-44.1	177.9	-64	-158.7	149.1	0	0	111.4	D765 A769 K770 A771	D765-E767 PolarHBondContact O-N 2.67Å; D765-E767 PolarHBondContact OD1-N 2.89Å; E767-A769 VanDerWaalsContact C-N 3.31Å; E767-A769 PolarHBondContact O-N 3.09Å; E767-K770 WeakPolarHBondContact O-CB 3.35Å; E767-K770 PolarHBondContact O-N 3.42Å; E767-A771 PolarHBondContact O-N 3.36Å; E767-A771 VanDerWaalsContact O-N 3.09Å
768	V	90.4	Very high	86.3	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.7	-41.2	173.8	-176.7	0	0	0	0	110.7	L668 Y671 F679 A681 L683 L764 D765 K770 A771 N772	L668-V768 HydrophobicContact CD1-CG1 4.27Å; L668-V768 HydrophobicContact CD2-CG1 4.27Å; Y671-V768 HydrophobicContact CD2-CG1 4.19Å; Y671-V768 HydrophobicContact CE2-CG1 4.16Å; F679-V768 HydrophobicContact CE2-CG2 3.72Å; F679-V768 HydrophobicContact CZ-CG2 3.86Å; A681-V768 HydrophobicContact CB-CG1 4.37Å; A681-V768 HydrophobicContact CB-CG2 3.93Å; L683-V768 HydrophobicContact CD2-CG2 4.19Å; L764-V768 HydrophobicContact CD2-CG1 3.91Å; D765-V768 HydrophobicContact CB-CB 4.26Å; D765-V768 HydrophobicContact CB-CG2 4.02Å; D765-V768 PolarHBondContact O-N 2.8Å; V768-K770 VanDerWaalsContact C-N 3.32Å; V768-K770 PolarHBondContact O-N 3.41Å; V768-A771 CarbonylContact O-C 3.53Å; V768-A771 PolarHBondContact O-N 3.07Å; V768-N772 WeakPolarHBondContact O-CB 3.43Å; V768-N772 PolarHBondContact O-N 2.83Å
769	A	90.4	Very high	86.3	Confident	39 Å²	39	52.2 Å²	52.2	32%	0.322	30%	0.301	S	S	.	.	H	α-helix	trans	-61.3	-38.2	177	0	0	0	0	0	112.3	L764 D765 E767 N772 T773	L764-A769 HydrophobicContact CB-CB 4.19Å; D765-A769 VanDerWaalsContact O-CB 3.32Å; D765-A769 WeakPolarHBondContact O-CB 3.41Å; D765-A769 PolarHBondContact O-N 3.03Å; E767-A769 VanDerWaalsContact C-N 3.31Å; E767-A769 PolarHBondContact O-N 3.09Å; A769-N772 PolarHBondContact O-N 2.98Å; A769-T773 PolarHBondContact O-N 2.58Å
770	K	90.4	Very high	86.7	Confident	104 Å²	104	49.1 Å²	49.1	45%	0.452	28%	0.282	S	S	.	.	H	α-helix	trans	-64.5	-47.6	174	-74.8	166.7	-173.7	168.3	0	111.3	P766 E767 V768 N772 T773	P766-K770 VanDerWaalsContact O-CG 3.31Å; P766-K770 WeakPolarHBondContact O-CG 3.19Å; P766-K770 PolarHBondContact O-N 3.15Å; E767-K770 WeakPolarHBondContact O-CB 3.35Å; E767-K770 PolarHBondContact O-N 3.42Å; V768-K770 VanDerWaalsContact C-N 3.32Å; V768-K770 PolarHBondContact O-N 3.41Å; K770-N772 PolarHBondContact O-N 3.24Å; K770-T773 WeakPolarHBondContact O-CG2 3.48Å; K770-T773 PolarHBondContact O-N 3.07Å; K770-T773 PolarHBondContact O-OG1 3.08Å
771	A	91.5	Very high	87.2	Confident	2 Å²	2	42.2 Å²	42.2	2%	0.017	25%	0.25	C	S	.	.	H	α-helix	trans	-66.1	-23.6	177.2	0	0	0	0	0	113	P666 L668 L683 E767 V768	P666-A771 HydrophobicContact CB-CB 4.37Å; L668-A771 HydrophobicContact CB-CB 4.32Å; L668-A771 PolarHBondContact N-O 3.03Å; L683-A771 HydrophobicContact CB-CB 4.32Å; L683-A771 HydrophobicContact CD2-CB 4.4Å; E767-A771 PolarHBondContact O-N 3.36Å; E767-A771 VanDerWaalsContact O-N 3.09Å; V768-A771 CarbonylContact O-C 3.53Å; V768-A771 PolarHBondContact O-N 3.07Å
772	N	92.9	Very high	88	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.021	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-2.6	-179.8	-170.6	50.4	0	0	0	114.6	L668 K757 V758 V768 A769 K770 L774 G775	L668-N772 HydrophobicContact CD2-CB 4.16Å; K757-N772 WeakPolarHBondContact CA-OD1 3.44Å; V758-N772 PolarHBondContact N-OD1 2.78Å; V758-N772 PolarHBondContact O-ND2 3.43Å; V768-N772 WeakPolarHBondContact O-CB 3.43Å; V768-N772 PolarHBondContact O-N 2.83Å; A769-N772 PolarHBondContact O-N 2.98Å; K770-N772 PolarHBondContact O-N 3.24Å; N772-L774 PolarHBondContact O-N 2.87Å; N772-G775 PolarHBondContact O-N 2.93Å
773	T	88.9	Confident	89.1	Confident	94 Å²	94	30 Å²	30	58%	0.577	18%	0.183	S	C	*	.	S	Bend	trans	-52.6	-53.8	-177.2	42	0	0	0	0	112.5	K757 A769 K770	K757-T773 PolarHBondContact NZ-O 2.81Å; A769-T773 PolarHBondContact O-N 2.58Å; K770-T773 WeakPolarHBondContact O-CG2 3.48Å; K770-T773 PolarHBondContact O-N 3.07Å; K770-T773 PolarHBondContact O-OG1 3.08Å
774	L	83.9	Confident	90.2	Very high	64 Å²	64	29 Å²	29	34%	0.335	16%	0.161	S	C	.	.	S	Bend	trans	-92.8	-17.5	173.2	-60.3	178.3	0	0	0	112.7	G621 N772	G621-L774 PolarHBondContact N-O 3.39Å; N772-L774 PolarHBondContact O-N 2.87Å
775	G	89.3	Confident	90.7	Very high	2 Å²	2	28.3 Å²	28.3	2%	0.021	16%	0.157	C	C	.	.			trans	71.6	-168.4	-164.4	0	0	0	0	0	111.2	T667 N772 V777	T667-G775 PolarHBondContact OG1-O 3.19Å; N772-G775 PolarHBondContact O-N 2.93Å; G775-V777 PolarHBondContact O-N 3.08Å
776	F	94	Very high	90.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.162	C	C	.	.			trans	-69	124.5	171.8	-169.7	-120.1	0	0	0	111.5	F618 F660 M661 T662 T667 L668 L669 L780	F618-F776 HydrophobicContact CB-CD1 3.74Å; F618-F776 HydrophobicContact CB-CE1 4.44Å; F618-F776 WeakPolarHBondContact CB-O 3.22Å; F618-F776 HydrophobicContact CD2-CD1 4.17Å; F618-F776 AromaticContact CG-CD1 3.93Å; F618-F776 HydrophobicContact CG-CD1 3.93Å; F660-F776 HydrophobicContact CB-CZ 4.2Å; M661-F776 VanDerWaalsContact O-CZ 3.32Å; M661-F776 WeakPolarHBondContact O-CZ 3.4Å; T662-F776 HydrophobicContact CG2-CE2 4.27Å; T667-F776 HydrophobicContact CG2-CD2 4.21Å; T667-F776 WeakPolarHBondContact OG1-CA 3.15Å; L668-F776 VanDerWaalsContact O-CB 3.32Å; L668-F776 WeakPolarHBondContact O-CB 3.47Å; L669-F776 HydrophobicContact CD2-CD2 3.43Å; L669-F776 VanDerWaalsContact CD2-CD2 3.43Å; L669-F776 HydrophobicContact CD2-CE2 3.23Å; L669-F776 HydrophobicContact CD2-CG 4.43Å; L669-F776 HydrophobicContact CD2-CZ 4.13Å; F776-L780 HydrophobicContact CD1-CD1 4.08Å; F776-L780 HydrophobicContact CD1-CD2 4.05Å; F776-L780 HydrophobicContact CD1-CG 3.7Å; F776-L780 HydrophobicContact CE1-CB 4.46Å; F776-L780 HydrophobicContact CE1-CD1 4.3Å; F776-L780 HydrophobicContact CE1-CD2 3.56Å; F776-L780 HydrophobicContact CE1-CG 3.42Å; F776-L780 VanDerWaalsContact CE1-CG 3.42Å; F776-L780 HydrophobicContact CE2-CD2 4.42Å; F776-L780 HydrophobicContact CZ-CD2 3.74Å; F776-L780 HydrophobicContact CZ-CG 4.14Å
777	V	89.8	Confident	90.9	Very high	14 Å²	14	32 Å²	32	9%	0.085	17%	0.167	C	C	.	.			trans	-112.8	112	162.5	-174.7	0	0	0	0	107.4	F618 T662 Q664 G775	F618-V777 WeakPolarHBondContact O-CA 3.47Å; T662-V777 PolarHBondContact OG1-O 3.21Å; Q664-V777 HydrophobicContact CG-CB 4.47Å; G775-V777 PolarHBondContact O-N 3.08Å
778	G	89.4	Confident	91	Very high	3 Å²	3	29.2 Å²	29.2	3%	0.031	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.4	-155.8	179.7	0	0	0	0	0	116	L617 F618	L617-G778 CarbonylContact C-O 3.57Å; L617-G778 WeakPolarHBondContact CA-O 3.2Å; F618-G778 PolarHBondContact N-O 2.88Å; F618-G778 PolarHBondContact O-N 2.86Å
779	C	91.5	Very high	91.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	126.8	177.5	-150.7	0	0	0	0	110.3	A616 L617 F660 M661 C814 M817	A616-C779 WeakPolarHBondContact O-CA 3.34Å; A616-C779 PolarHBondContact O-SG 2.87Å; A616-C779 VanDerWaalsContact O-SG 3.41Å; L617-C779 HydrophobicContact CD2-CB 3.83Å; F660-C779 CarbonylContact C-O 3.52Å; F660-C779 VanDerWaalsContact CA-O 3.24Å; F660-C779 WeakPolarHBondContact CA-O 3.42Å; M661-C779 HydrophobicContact CB-CB 4.37Å; M661-C779 PolarHBondContact N-O 3.44Å; M661-C779 PolarHBondContact O-N 3.47Å; M661-C779 VanDerWaalsContact O-N 3.15Å; C779-C814 HydrophobicContact CB-CB 3.69Å; C779-C814 WeakPolarHBondContact CB-SG 3.47Å; C779-C814 WeakPolarHBondContact SG-CA 3.48Å; C779-C814 WeakPolarHBondContact SG-CB 3.38Å; C779-C814 CovalentContact SG-SG 2.02Å; C779-C814 PolarHBondContact SG-SG 3.32Å; C779-M817 VanDerWaalsContact N-CE 3.3Å
780	L	95.1	Very high	91.2	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	140.1	169.5	-66.6	-179.3	0	0	0	109.4	S615 A616 F618 L658 S659 F660 L755 F776 V783 L791	S615-L780 CarbonylContact C-O 3.43Å; S615-L780 WeakPolarHBondContact CA-O 3.35Å; A616-L780 PolarHBondContact N-O 2.81Å; A616-L780 PolarHBondContact O-N 2.74Å; F618-L780 HydrophobicContact CD2-CB 4.27Å; F618-L780 HydrophobicContact CD2-CD1 4.2Å; F618-L780 HydrophobicContact CD2-CG 4.14Å; F618-L780 HydrophobicContact CE1-CD1 4.44Å; F618-L780 HydrophobicContact CE2-CB 3.86Å; F618-L780 HydrophobicContact CE2-CD1 3.75Å; F618-L780 HydrophobicContact CE2-CG 3.98Å; F618-L780 HydrophobicContact CZ-CD1 3.89Å; L658-L780 HydrophobicContact CD1-CD2 4.49Å; S659-L780 WeakPolarHBondContact O-CA 3.17Å; F660-L780 HydrophobicContact CB-CD2 3.65Å; L755-L780 HydrophobicContact CB-CD1 4Å; L755-L780 HydrophobicContact CD1-CD1 4.4Å; L755-L780 HydrophobicContact CD2-CD1 4.33Å; L755-L780 HydrophobicContact CG-CD1 4.48Å; F776-L780 HydrophobicContact CD1-CD1 4.08Å; F776-L780 HydrophobicContact CD1-CD2 4.05Å; F776-L780 HydrophobicContact CD1-CG 3.7Å; F776-L780 HydrophobicContact CE1-CB 4.46Å; F776-L780 HydrophobicContact CE1-CD1 4.3Å; F776-L780 HydrophobicContact CE1-CD2 3.56Å; F776-L780 HydrophobicContact CE1-CG 3.42Å; F776-L780 VanDerWaalsContact CE1-CG 3.42Å; F776-L780 HydrophobicContact CE2-CD2 4.42Å; F776-L780 HydrophobicContact CZ-CD2 3.74Å; F776-L780 HydrophobicContact CZ-CG 4.14Å; L780-V783 HydrophobicContact CB-CG2 3.97Å; L780-L791 HydrophobicContact CB-CD2 4.28Å; L780-L791 VanDerWaalsContact O-CD2 3.32Å; L780-L791 WeakPolarHBondContact O-CD2 3.13Å
781	S	93.3	Very high	91.3	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.014	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	160.7	178	77.7	0	0	0	0	111.6	E613 I614 S659 V783	E613-S781 WeakPolarHBondContact OE1-CB 3.14Å; E613-S781 PolarHBondContact OE1-OG 3.03Å; I614-S781 WeakPolarHBondContact O-CA 3.02Å; S659-S781 WeakPolarHBondContact CB-OG 3.06Å; S659-S781 PolarHBondContact N-O 3.33Å; S659-S781 PolarHBondContact O-N 3.4Å; S781-V783 PolarHBondContact O-N 2.84Å
782	S	92.4	Very high	91.3	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.014	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.3	29.8	177.6	-69.7	0	0	0	0	115	Y605 E613 I614 Q784	Y605-S782 PolarHBondContact OH-OG 3.17Å; Y605-S782 VanDerWaalsContact OH-OG 3.09Å; E613-S782 WeakPolarHBondContact CG-OG 3.25Å; E613-S782 WeakPolarHBondContact OE1-CB 3.44Å; E613-S782 PolarHBondContact OE1-N 2.94Å; E613-S782 PolarHBondContact OE1-OG 2.93Å; I614-S782 PolarHBondContact O-N 2.91Å; S782-Q784 PolarHBondContact O-N 2.67Å
783	V	95	Very high	91.2	Very high	2 Å²	2	25 Å²	25	1%	0.012	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	118.3	-174.6	-171.9	0	0	0	0	110.6	T657 L658 L670 L755 L780 S781 P790 L791	T657-V783 CarbonylContact O-C 3.58Å; T657-V783 WeakPolarHBondContact O-CA 3.32Å; L658-V783 HydrophobicContact CB-CG1 4.36Å; L658-V783 HydrophobicContact CB-CG2 4.12Å; L670-V783 HydrophobicContact CD1-CG1 4.5Å; L755-V783 HydrophobicContact CD1-CB 4.37Å; L755-V783 HydrophobicContact CD1-CG1 3.9Å; L755-V783 HydrophobicContact CD1-CG2 4.34Å; L755-V783 HydrophobicContact CD2-CG1 3.91Å; L780-V783 HydrophobicContact CB-CG2 3.97Å; S781-V783 PolarHBondContact O-N 2.84Å; V783-P790 HydrophobicContact CG1-CG 3.97Å; V783-L791 HydrophobicContact CB-CB 4.02Å; V783-L791 HydrophobicContact CG2-CB 4.2Å; V783-L791 HydrophobicContact CG2-CD2 3.93Å
784	Q	94.1	Very high	91.3	Very high	44 Å²	44	20.6 Å²	20.6	21%	0.206	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	133.8	-179	-177.3	170.2	8.2	0	0	111.2	P604 I656 T657 S782 N786 I788	P604-Q784 HydrophobicContact CB-CB 4.34Å; P604-Q784 HydrophobicContact CG-CB 3.97Å; I656-Q784 CarbonylContact C-O 3.52Å; I656-Q784 WeakPolarHBondContact CA-O 3.28Å; T657-Q784 PolarHBondContact N-O 3.09Å; T657-Q784 PolarHBondContact O-N 2.82Å; S782-Q784 PolarHBondContact O-N 2.67Å; Q784-N786 WeakPolarHBondContact CG-O 3.12Å; Q784-N786 PolarHBondContact NE2-O 3.39Å; Q784-I788 CarbonylContact C-O 3.5Å; Q784-I788 WeakPolarHBondContact CA-O 2.96Å
785	Y	92.8	Very high	91.5	Very high	8 Å²	8	19.3 Å²	19.3	3%	0.031	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	112.8	168.4	175.9	-95	0	0	0	108.1	F628 E654 A655 I656 L672 V750 L753 H787 I788	F628-Y785 AromaticContact CE1-CD1 3.9Å; F628-Y785 HydrophobicContact CE1-CD1 3.9Å; F628-Y785 AromaticContact CE1-CE1 3.85Å; F628-Y785 HydrophobicContact CE1-CE1 3.85Å; F628-Y785 AromaticContact CZ-CD1 3.56Å; F628-Y785 HydrophobicContact CZ-CD1 3.56Å; F628-Y785 AromaticContact CZ-CE1 3.67Å; F628-Y785 HydrophobicContact CZ-CE1 3.67Å; E654-Y785 PolarHBondContact OE1-OH 3.26Å; A655-Y785 WeakPolarHBondContact O-CA 3.38Å; I656-Y785 HydrophobicContact CD1-CD2 4.02Å; I656-Y785 HydrophobicContact CD1-CE2 4.23Å; I656-Y785 HydrophobicContact CG1-CD2 3.82Å; I656-Y785 HydrophobicContact CG1-CE2 4.21Å; L672-Y785 HydrophobicContact CD1-CD2 3.96Å; L672-Y785 HydrophobicContact CD1-CE2 3.53Å; L672-Y785 HydrophobicContact CD2-CD2 4.26Å; L672-Y785 HydrophobicContact CD2-CE2 4.44Å; V750-Y785 HydrophobicContact CG2-CE1 4.49Å; V750-Y785 HydrophobicContact CG2-CE2 4.49Å; V750-Y785 VanDerWaalsContact CG2-OH 3.27Å; V750-Y785 WeakPolarHBondContact CG2-OH 3.19Å; L753-Y785 HydrophobicContact CD1-CD2 4.48Å; L753-Y785 HydrophobicContact CD1-CG 3.99Å; Y785-H787 PolarHBondContact O-N 2.85Å; Y785-H787 VanDerWaalsContact O-N 3.09Å; Y785-I788 PolarHBondContact N-O 3.22Å; Y785-I788 WeakPolarHBondContact O-CB 3.22Å; Y785-I788 PolarHBondContact O-N 3.36Å
786	N	90.1	Very high	91.5	Very high	43 Å²	43	23.2 Å²	23.2	23%	0.23	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	-111.2	-171.3	-62.3	-26.6	0	0	0	111.7	E654 A655 Q784	E654-N786 WeakPolarHBondContact CA-OD1 3.27Å; A655-N786 PolarHBondContact N-OD1 2.82Å; A655-N786 PolarHBondContact O-N 3.36Å; A655-N786 PolarHBondContact O-OD1 2.06Å; Q784-N786 WeakPolarHBondContact CG-O 3.12Å; Q784-N786 PolarHBondContact NE2-O 3.39Å
787	H	86.6	Confident	90.9	Very high	145 Å²	145	28.4 Å²	28.4	67%	0.671	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.8	13.5	178.6	-54.8	-56.7	0	0	0	112.9	N602 Y785	N602-H787 VanDerWaalsContact CB-O 3.25Å; N602-H787 WeakPolarHBondContact CB-O 3.1Å; Y785-H787 PolarHBondContact O-N 2.85Å; Y785-H787 VanDerWaalsContact O-N 3.09Å
788	I	88.8	Confident	89.9	Confident	40 Å²	40	29.9 Å²	29.9	21%	0.205	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-112.3	131.7	-175.8	-54.9	-178.2	0	0	0	109.5	Y626 F628 Q784 Y785 P790	Y626-I788 HydrophobicContact CD1-CG2 4.42Å; Y626-I788 HydrophobicContact CD2-CG2 4Å; Y626-I788 HydrophobicContact CE1-CD1 3.93Å; Y626-I788 HydrophobicContact CE1-CG2 3.95Å; Y626-I788 HydrophobicContact CE2-CG2 3.49Å; Y626-I788 VanDerWaalsContact CE2-CG2 3.49Å; Y626-I788 HydrophobicContact CG-CG2 4.47Å; Y626-I788 VanDerWaalsContact CZ-CG2 3.46Å; F628-I788 HydrophobicContact CD1-CD1 3.9Å; F628-I788 HydrophobicContact CE1-CD1 3.34Å; F628-I788 HydrophobicContact CZ-CD1 4.17Å; Q784-I788 CarbonylContact C-O 3.5Å; Q784-I788 WeakPolarHBondContact CA-O 2.96Å; Y785-I788 PolarHBondContact N-O 3.22Å; Y785-I788 WeakPolarHBondContact O-CB 3.22Å; Y785-I788 PolarHBondContact O-N 3.36Å; I788-P790 WeakPolarHBondContact O-CD 2.9Å
789	A	92	Very high	88.7	Confident	9 Å²	9	35.6 Å²	35.6	7%	0.074	19%	0.193	C	C	.	.			trans	-108.4	81.5	174	0	0	0	0	0	110.3	P604 L791 K792 A793	P604-A789 HydrophobicContact CB-CB 4.09Å; A789-L791 VanDerWaalsContact C-N 3.33Å; A789-L791 PolarHBondContact O-N 3.43Å; A789-K792 HydrophobicContact CB-CB 3.89Å; A789-K792 HydrophobicContact CB-CD 4.46Å; A789-K792 PolarHBondContact O-N 2.82Å; A789-A793 PolarHBondContact O-N 3.36Å
790	P	92.4	Very high	87.7	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.5	-37.3	-170.6	24.5	-35.4	0	0	0	113.1	Y626 L753 L755 V783 I788 A793 A794	Y626-P790 HydrophobicContact CD2-CB 3.95Å; Y626-P790 HydrophobicContact CG-CB 4.23Å; L753-P790 HydrophobicContact CD1-CG 4.01Å; L753-P790 HydrophobicContact CD2-CB 3.92Å; L753-P790 HydrophobicContact CD2-CG 3.73Å; L755-P790 HydrophobicContact CD1-CG 4.4Å; V783-P790 HydrophobicContact CG1-CG 3.97Å; I788-P790 WeakPolarHBondContact O-CD 2.9Å; P790-A793 PolarHBondContact O-N 2.73Å; P790-A794 PolarHBondContact O-N 3.46Å
791	L	93.5	Very high	86.3	Confident	1 Å²	1	45 Å²	45	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-65.9	-38.8	177.8	-176.8	60.8	0	0	0	112.2	I614 A616 F618 L755 L780 V783 A789 A794 L795 L809	I614-L791 HydrophobicContact CG2-CG 4.39Å; A616-L791 HydrophobicContact CB-CD1 3.93Å; A616-L791 HydrophobicContact CB-CD2 4.46Å; F618-L791 HydrophobicContact CE2-CD1 3.94Å; F618-L791 HydrophobicContact CZ-CD1 3.97Å; L755-L791 HydrophobicContact CD1-CB 4.18Å; L780-L791 HydrophobicContact CB-CD2 4.28Å; L780-L791 VanDerWaalsContact O-CD2 3.32Å; L780-L791 WeakPolarHBondContact O-CD2 3.13Å; V783-L791 HydrophobicContact CB-CB 4.02Å; V783-L791 HydrophobicContact CG2-CB 4.2Å; V783-L791 HydrophobicContact CG2-CD2 3.93Å; A789-L791 VanDerWaalsContact C-N 3.33Å; A789-L791 PolarHBondContact O-N 3.43Å; L791-A794 WeakPolarHBondContact O-CB 3.34Å; L791-A794 PolarHBondContact O-N 3.23Å; L791-L795 PolarHBondContact O-N 2.01Å; L791-L795 VanDerWaalsContact O-N 3.08Å; L791-L809 HydrophobicContact CD1-CD1 4.38Å; L791-L809 HydrophobicContact CD1-CD2 4.42Å
792	K	92.3	Very high	86	Confident	28 Å²	28	46.5 Å²	46.5	12%	0.122	26%	0.259	C	S	.	.	H	α-helix	trans	-65.2	-44.5	175.5	-177.8	178.2	179.2	175.7	0	111.5	C600 S603 Y605 I614 A789 A794 L795 R796	C600-K792 PolarHBondContact O-NZ 3.14Å; S603-K792 VanDerWaalsContact O-CD 3.24Å; S603-K792 WeakPolarHBondContact O-CD 3.39Å; S603-K792 PolarHBondContact O-NZ 2.9Å; Y605-K792 PolarHBondContact O-NZ 3.02Å; I614-K792 HydrophobicContact CB-CB 4.47Å; I614-K792 HydrophobicContact CD1-CG 4.44Å; I614-K792 HydrophobicContact CG1-CB 4.17Å; I614-K792 HydrophobicContact CG1-CD 4.14Å; I614-K792 HydrophobicContact CG1-CG 4.03Å; I614-K792 HydrophobicContact CG2-CB 4.16Å; A789-K792 HydrophobicContact CB-CB 3.89Å; A789-K792 HydrophobicContact CB-CD 4.46Å; A789-K792 PolarHBondContact O-N 2.82Å; K792-A794 VanDerWaalsContact C-N 3.27Å; K792-A794 PolarHBondContact O-N 2.9Å; K792-L795 PolarHBondContact O-N 3.2Å; K792-R796 HydrophobicContact CG-CG 4.33Å; K792-R796 WeakPolarHBondContact O-CB 3.36Å; K792-R796 WeakPolarHBondContact O-CG 3.19Å; K792-R796 PolarHBondContact O-N 2.73Å
793	A	89.6	Confident	85.8	Confident	23 Å²	23	46.7 Å²	46.7	19%	0.19	26%	0.26	C	S	.	.	H	α-helix	trans	-60.1	-38.5	174.6	0	0	0	0	0	111.6	Y626 A789 P790 H797 V803	Y626-A793 HydrophobicContact CE2-CB 4.31Å; A789-A793 PolarHBondContact O-N 3.36Å; P790-A793 PolarHBondContact O-N 2.73Å; A793-H797 CarbonylContact O-C 3.59Å; A793-H797 VanDerWaalsContact O-C 3.29Å; A793-H797 VanDerWaalsContact O-CA 3.29Å; A793-H797 WeakPolarHBondContact O-CA 3.44Å; A793-H797 WeakPolarHBondContact O-CB 3.42Å; A793-H797 PolarHBondContact O-N 3.05Å; A793-V803 HydrophobicContact CB-CG2 3.57Å
794	A	90.8	Very high	85.6	Confident	2 Å²	2	49.9 Å²	49.9	2%	0.017	28%	0.279	C	S	.	.	H	α-helix	trans	-63.2	-42.6	175.1	0	0	0	0	0	113.5	V624 P790 L791 K792 A798 V803 V805 L809	V624-A794 HydrophobicContact CG1-CB 3.52Å; V624-A794 HydrophobicContact CG2-CB 4.27Å; P790-A794 PolarHBondContact O-N 3.46Å; L791-A794 WeakPolarHBondContact O-CB 3.34Å; L791-A794 PolarHBondContact O-N 3.23Å; K792-A794 VanDerWaalsContact C-N 3.27Å; K792-A794 PolarHBondContact O-N 2.9Å; A794-A798 WeakPolarHBondContact O-CA 3.19Å; A794-A798 WeakPolarHBondContact O-CB 3.08Å; A794-A798 PolarHBondContact O-N 2.89Å; A794-V803 HydrophobicContact CB-CG1 3.81Å; A794-V805 HydrophobicContact CB-CG2 3.84Å; A794-L809 HydrophobicContact CB-CD2 3.99Å
795	L	89.4	Confident	85.4	Confident	37 Å²	37	49.9 Å²	49.9	19%	0.194	28%	0.282	C	S	.	.	H	α-helix	trans	-78	-29.3	-178	-71.7	172.4	0	0	0	113.9	I614 A616 L791 K792 L809 E811	I614-L795 HydrophobicContact CG2-CD1 3.58Å; A616-L795 HydrophobicContact CB-CD1 4.24Å; A616-L795 HydrophobicContact CB-CD2 4.31Å; L791-L795 PolarHBondContact O-N 2.01Å; L791-L795 VanDerWaalsContact O-N 3.08Å; K792-L795 PolarHBondContact O-N 3.2Å; L795-L809 HydrophobicContact CD2-CD2 3.86Å; L795-L809 HydrophobicContact CD2-CG 4.11Å; L795-L809 HydrophobicContact CG-CD2 4.3Å; L795-E811 HydrophobicContact CD1-CB 4.37Å; L795-E811 HydrophobicContact CD1-CG 4.22Å; L795-E811 HydrophobicContact CD2-CB 4.2Å
796	R	88.5	Confident	85.3	Confident	84 Å²	84	54.4 Å²	54.4	32%	0.317	30%	0.304	S	S	.	.	H	α-helix	trans	-99.7	-27.1	-176	-57.5	-63.2	176.7	-110.9	3	113	E606 K792 E811	E606-R796 IonicContact OE1-NH2 2.71Å; E606-R796 PolarHBondContact OE1-NH2 3.04Å; E606-R796 IonicContact OE2-CZ 2.77Å; E606-R796 IonicContact OE2-NE 3.83Å; E606-R796 PolarHBondContact OE2-NE 3.07Å; E606-R796 VanDerWaalsContact OE2-NE 3.08Å; E606-R796 IonicContact OE2-NH2 2.91Å; E606-R796 PolarHBondContact OE2-NH2 3.24Å; K792-R796 HydrophobicContact CG-CG 4.33Å; K792-R796 WeakPolarHBondContact O-CB 3.36Å; K792-R796 WeakPolarHBondContact O-CG 3.19Å; K792-R796 PolarHBondContact O-N 2.73Å; R796-E811 IonicContact CZ-OE1 2.67Å; R796-E811 IonicContact CZ-OE2 3.9Å; R796-E811 IonicContact NH1-OE1 3.36Å; R796-E811 IonicContact NH1-OE2 3.43Å; R796-E811 PolarHBondContact NH1-OE2 3.15Å; R796-E811 IonicContact NH2-OE1 3.7Å; R796-E811 PolarHBondContact NH2-OE1 3.47Å; R796-E811 IonicContact NH2-OE2 3.91Å
797	H	81.4	Confident	85.1	Confident	108 Å²	108	55.3 Å²	55.3	50%	0.5	32%	0.323	S	S	.	.			trans	-137.8	40.3	-173.2	-56.5	-62.2	0	0	0	112.6	A793 S799 I800	A793-H797 CarbonylContact O-C 3.59Å; A793-H797 VanDerWaalsContact O-C 3.29Å; A793-H797 VanDerWaalsContact O-CA 3.29Å; A793-H797 WeakPolarHBondContact O-CA 3.44Å; A793-H797 WeakPolarHBondContact O-CB 3.42Å; A793-H797 PolarHBondContact O-N 3.05Å; H797-S799 PolarHBondContact O-N 3.28Å; H797-I800 HydrophobicContact CB-CB 4.47Å; H797-I800 PolarHBondContact O-N 2.71Å; H797-I800 VanDerWaalsContact O-N 3.1Å
798	A	69.1	Low	84.8	Confident	46 Å²	46	52.4 Å²	52.4	38%	0.38	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-24.4	-175.5	0	0	0	0	0	115.9	A794 V805	A794-A798 WeakPolarHBondContact O-CA 3.19Å; A794-A798 WeakPolarHBondContact O-CB 3.08Å; A794-A798 PolarHBondContact O-N 2.89Å; A798-V805 HydrophobicContact CB-CG2 4.28Å
799	S	63.9	Low	84.7	Confident	123 Å²	123	52 Å²	52	86%	0.86	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	7.1	-173.4	-47.4	0	0	0	0	114	H797	H797-S799 PolarHBondContact O-N 3.28Å
800	I	70.6	Confident	84.2	Confident	106 Å²	106	52.8 Å²	52.8	54%	0.544	32%	0.318	S	S	.	.	S	Bend	trans	-121.6	127.9	-174.7	-53.8	175.7	0	0	0	108.5	H797 V803	H797-I800 HydrophobicContact CB-CB 4.47Å; H797-I800 PolarHBondContact O-N 2.71Å; H797-I800 VanDerWaalsContact O-N 3.1Å; I800-V803 PolarHBondContact O-N 3.26Å
801	S	66.6	Low	83.8	Confident	92 Å²	92	56.8 Å²	56.8	64%	0.643	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	129.4	170.3	179.8	0	0	0	0	109.1
802	P	85.1	Confident	83.1	Confident	34 Å²	34	57.9 Å²	57.9	22%	0.221	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	cis	-102.9	10.9	29.1	35.6	-34.4	0	0	0	117.9	Y626 M627	Y626-P802 HydrophobicContact CD2-CG 4.43Å; Y626-P802 HydrophobicContact CE1-CB 4.25Å; Y626-P802 HydrophobicContact CE1-CG 4Å; Y626-P802 HydrophobicContact CE2-CG 3.69Å; Y626-P802 VanDerWaalsContact CZ-CG 3.42Å; Y626-P802 WeakPolarHBondContact OH-CG 3.32Å; M627-P802 PolarHBondContact N-O 3.09Å; M627-P802 WeakPolarHBondContact O-CB 3.31Å
803	V	89.8	Confident	82	Confident	5 Å²	5	58.4 Å²	58.4	3%	0.03	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	142.2	-173.7	-174.6	0	0	0	0	113	V624 T625 Y626 A793 A794 I800 V805	V624-V803 HydrophobicContact CG1-CG1 4.13Å; T625-V803 WeakPolarHBondContact O-CA 3.49Å; Y626-V803 HydrophobicContact CD2-CG2 3.29Å; Y626-V803 HydrophobicContact CE2-CG2 3.74Å; Y626-V803 HydrophobicContact CG-CG2 4.14Å; A793-V803 HydrophobicContact CB-CG2 3.57Å; A794-V803 HydrophobicContact CB-CG1 3.81Å; I800-V803 PolarHBondContact O-N 3.26Å; V803-V805 HydrophobicContact CG1-CG2 4.48Å
804	T	89.7	Confident	81.2	Confident	69 Å²	69	57.5 Å²	57.5	42%	0.423	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	137.3	172.3	55.7	0	0	0	0	110.4	T625	T625-T804 WeakPolarHBondContact CB-OG1 3.46Å; T625-T804 PolarHBondContact N-O 3.24Å; T625-T804 PolarHBondContact O-N 2.82Å; T625-T804 PolarHBondContact O-OG1 2.87Å
805	V	90.9	Very high	79.6	Confident	45 Å²	45	60.2 Å²	60.2	27%	0.273	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	126.5	178.2	-175.7	0	0	0	0	108.6	S623 V624 A794 A798 V803 L809	S623-V805 WeakPolarHBondContact O-CA 3.43Å; V624-V805 HydrophobicContact CG2-CG1 4.34Å; V624-V805 HydrophobicContact CG2-CG2 4.35Å; A794-V805 HydrophobicContact CB-CG2 3.84Å; A798-V805 HydrophobicContact CB-CG2 4.28Å; V803-V805 HydrophobicContact CG1-CG2 4.48Å; V805-L809 HydrophobicContact CG1-CB 3.94Å; V805-L809 HydrophobicContact CG1-CD2 4.24Å; V805-L809 HydrophobicContact CG2-CD2 4.46Å
806	Q	89.4	Confident	77.8	Confident	103 Å²	103	59.1 Å²	59.1	48%	0.481	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	136.9	173.4	-59.4	-175.6	7.8	0	0	109.5	T622 S623	T622-Q806 CarbonylContact C-O 3.53Å; T622-Q806 WeakPolarHBondContact CA-O 2.88Å; S623-Q806 PolarHBondContact N-O 2.82Å; S623-Q806 PolarHBondContact O-N 2.73Å
807	G	85.9	Confident	76	Confident	61 Å²	61	56.5 Å²	56.5	63%	0.629	35%	0.345	S	S	*	.	S	Bend	trans	82.5	-161.6	-173.1	0	0	0	0	0	113.2
808	T	80.6	Confident	74.2	Confident	85 Å²	85	53.9 Å²	53.9	52%	0.521	33%	0.334	S	S	.	.			trans	-99.3	117.1	-173	-56	0	0	0	0	110.3	Y619 T622 T810	Y619-T808 HydrophobicContact CD2-CG2 3.9Å; Y619-T808 WeakPolarHBondContact CD2-O 2.95Å; Y619-T808 HydrophobicContact CE2-CG2 3.87Å; T622-T808 VanDerWaalsContact CG2-O 3.23Å; T622-T808 WeakPolarHBondContact CG2-O 3.19Å; T622-T808 PolarHBondContact OG1-O 3.26Å; T808-T810 HydrophobicContact CG2-CG2 4.08Å
809	L	86.8	Confident	72.7	Confident	31 Å²	31	57.2 Å²	57.2	16%	0.162	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	122.1	173.7	-174.8	72.8	0	0	0	109	A616 F618 T622 V624 L791 A794 L795 V805	A616-L809 HydrophobicContact CB-CD1 3.63Å; A616-L809 HydrophobicContact CB-CG 4.06Å; F618-L809 HydrophobicContact CD1-CD1 4.36Å; F618-L809 HydrophobicContact CD2-CD1 3.94Å; F618-L809 HydrophobicContact CE1-CD1 4.06Å; F618-L809 HydrophobicContact CE2-CD1 3.59Å; F618-L809 HydrophobicContact CG-CD1 4.3Å; F618-L809 HydrophobicContact CZ-CD1 3.66Å; T622-L809 HydrophobicContact CG2-CB 4.34Å; T622-L809 HydrophobicContact CG2-CD1 4.38Å; V624-L809 HydrophobicContact CG2-CD1 4.18Å; V624-L809 HydrophobicContact CG2-CD2 3.84Å; L791-L809 HydrophobicContact CD1-CD1 4.38Å; L791-L809 HydrophobicContact CD1-CD2 4.42Å; A794-L809 HydrophobicContact CB-CD2 3.99Å; L795-L809 HydrophobicContact CD2-CD2 3.86Å; L795-L809 HydrophobicContact CD2-CG 4.11Å; L795-L809 HydrophobicContact CG-CD2 4.3Å; V805-L809 HydrophobicContact CG1-CB 3.94Å; V805-L809 HydrophobicContact CG1-CD2 4.24Å; V805-L809 HydrophobicContact CG2-CD2 4.46Å
810	T	81.9	Confident	71.2	Confident	26 Å²	26	53.6 Å²	53.6	16%	0.16	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	124.5	-178.7	55.3	0	0	0	0	111.4	A616 L617 Y619 T808 S812	A616-T810 CarbonylContact C-O 3.11Å; A616-T810 VanDerWaalsContact CA-O 3.24Å; A616-T810 WeakPolarHBondContact CA-O 2.86Å; L617-T810 PolarHBondContact N-O 3.44Å; L617-T810 PolarHBondContact O-N 3.12Å; Y619-T810 HydrophobicContact CE2-CG2 4.29Å; T808-T810 HydrophobicContact CG2-CG2 4.08Å; T810-S812 PolarHBondContact O-N 3.02Å
811	E	83.5	Confident	69.4	Low	84 Å²	84	55.1 Å²	55.1	39%	0.393	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	134.6	172.7	-168.6	169.7	178.8	0	0	110.4	S615 L795 R796	S615-E811 WeakPolarHBondContact O-CA 3.4Å; L795-E811 HydrophobicContact CD1-CB 4.37Å; L795-E811 HydrophobicContact CD1-CG 4.22Å; L795-E811 HydrophobicContact CD2-CB 4.2Å; R796-E811 IonicContact CZ-OE1 2.67Å; R796-E811 IonicContact CZ-OE2 3.9Å; R796-E811 IonicContact NH1-OE1 3.36Å; R796-E811 IonicContact NH1-OE2 3.43Å; R796-E811 PolarHBondContact NH1-OE2 3.15Å; R796-E811 IonicContact NH2-OE1 3.7Å; R796-E811 PolarHBondContact NH2-OE1 3.47Å; R796-E811 IonicContact NH2-OE2 3.91Å
812	S	78.4	Confident	67.5	Low	24 Å²	24	55.3 Å²	55.3	17%	0.168	33%	0.327	C	S	.	.			trans	-146.5	168.8	-175.2	-179.6	0	0	0	0	109.1	S615 T810 C814	S615-S812 CarbonylContact C-O 3.5Å; S615-S812 WeakPolarHBondContact CB-O 3.18Å; S615-S812 PolarHBondContact O-N 2.98Å; S615-S812 PolarHBondContact OG-O 3.04Å; T810-S812 PolarHBondContact O-N 3.02Å; S812-C814 PolarHBondContact OG-N 2.89Å
813	S	69.5	Low	64.8	Low	39 Å²	39	59.9 Å²	59.9	27%	0.273	35%	0.354	S	S	.	.			trans	-95.3	1.5	170.3	58.1	0	0	0	0	113.4	D815	S813-D815 WeakPolarHBondContact CB-OD2 3.34Å; S813-D815 PolarHBondContact O-N 3.18Å; S813-D815 VanDerWaalsContact O-N 3.13Å; S813-D815 PolarHBondContact OG-OD2 3.26Å
814	C	72.6	Confident	61.8	Low	4 Å²	4	62.9 Å²	62.9	3%	0.027	39%	0.386	C	S	.	.	S	Bend	trans	54	24.6	-176.3	-63.1	0	0	0	0	115.3	S615 M661 V716 C779 S812	S615-C814 WeakPolarHBondContact CB-SG 3.47Å; M661-C814 WeakPolarHBondContact CE-O 3.07Å; V716-C814 WeakPolarHBondContact CG2-O 3.48Å; C779-C814 HydrophobicContact CB-CB 3.69Å; C779-C814 WeakPolarHBondContact CB-SG 3.47Å; C779-C814 WeakPolarHBondContact SG-CA 3.48Å; C779-C814 WeakPolarHBondContact SG-CB 3.38Å; C779-C814 CovalentContact SG-SG 2.02Å; C779-C814 PolarHBondContact SG-SG 3.32Å; S812-C814 PolarHBondContact OG-N 2.89Å
815	D	58.6	Low	58.8	Low	58 Å²	58	66 Å²	66	31%	0.31	40%	0.404	S	S	.	.	S	Bend	trans	-80.7	-14.7	178.8	-64	-47	0	0	0	113	V57 H226 S813	V57-D815 HydrophobicContact CB-CB 3.93Å; V57-D815 HydrophobicContact CG1-CB 4.35Å; V57-D815 HydrophobicContact CG2-CB 4.15Å; H226-D815 PolarHBondContact CE1-O 3.05Å; S813-D815 WeakPolarHBondContact CB-OD2 3.34Å; S813-D815 PolarHBondContact O-N 3.18Å; S813-D815 VanDerWaalsContact O-N 3.13Å; S813-D815 PolarHBondContact OG-OD2 3.26Å
816	S	50.3	Low	55.7	Low	15 Å²	15	70 Å²	70	11%	0.105	43%	0.429	C	S	.	.			trans	-165.7	166.6	178.2	67.9	0	0	0	0	114.1	V57 D224	V57-S816 WeakPolarHBondContact CG2-OG 2.97Å; D224-S816 WeakPolarHBondContact CB-OG 3.37Å; D224-S816 WeakPolarHBondContact OD1-CB 3.14Å; D224-S816 PolarHBondContact OD1-OG 3.38Å
817	M	51.3	Low	52.7	Low	29 Å²	29	71.4 Å²	71.4	14%	0.143	45%	0.445	C	S	.	.			trans	-115.9	134.1	-179.5	-83	-151.9	168.9	0	0	114.9	D224 M661 C779	D224-M817 PolarHBondContact OD1-N 2.88Å; M661-M817 HydrophobicContact CB-CE 3.99Å; M661-M817 HydrophobicContact CG-CE 3.91Å; M661-M817 HydrophobicContact CG-CG 4.11Å; M661-M817 WeakPolarHBondContact O-CE 3.49Å; M661-M817 HydrophobicContact SD-CG 3.76Å; C779-M817 VanDerWaalsContact N-CE 3.3Å
818	I	43.5	Very low	49.8	Very low	53 Å²	53	73.8 Å²	73.8	27%	0.272	45%	0.447	S	S	.	.			trans	-75	128.5	165.8	-58.8	173.2	0	0	0	109.4	L617 S820	L617-I818 HydrophobicContact CD1-CD1 4.45Å; I818-S820 PolarHBondContact O-N 3.01Å
819	D	37.3	Very low	47.2	Very low	116 Å²	116	79.8 Å²	79.8	62%	0.62	46%	0.462	S	S	*	.			trans	-71.5	101.5	165.4	-112.6	-29.1	0	0	0	108.2	R714	R714-D819 IonicContact CZ-OD2 3.38Å; R714-D819 IonicContact NH1-OD2 2.73Å; R714-D819 IonicContact NH2-OD1 3.56Å; R714-D819 PolarHBondContact NH2-OD1 3.48Å; R714-D819 VanDerWaalsContact NH2-OD1 3.13Å; R714-D819 IonicContact NH2-OD2 3.53Å; R714-D819 PolarHBondContact NH2-OD2 3.01Å
820	S	34	Very low	44.1	Very low	47 Å²	47	83.2 Å²	83.2	33%	0.329	49%	0.489	S	S	.	.			trans	-92.9	103.4	167.4	65.5	0	0	0	0	109.1	I818 V822	I818-S820 PolarHBondContact O-N 3.01Å; S820-V822 PolarHBondContact O-N 2.71Å
821	D	30.8	Very low	41.7	Very low	138 Å²	138	87.9 Å²	87.9	74%	0.738	52%	0.519	S	S	*	.			trans	-54.8	120.8	171.1	-97.5	-31.6	0	0	0	111.2	T823	D821-T823 PolarHBondContact O-N 3.03Å
822	V	28.1	Very low	38.9	Very low	96 Å²	96	89.4 Å²	89.4	58%	0.582	54%	0.539	S	S	*	.			trans	-90	90.7	164.3	179.1	0	0	0	0	107.1	S820	S820-V822 PolarHBondContact O-N 2.71Å
823	T	27.2	Very low	36.5	Very low	129 Å²	129	94.1 Å²	94.1	79%	0.791	57%	0.566	S	S	*	*			trans	-124.2	119.1	159.9	53.7	0	0	0	0	109.9	D821	D821-T823 PolarHBondContact O-N 3.03Å
824	G	26.8	Very low	34.7	Very low	69 Å²	69	97.9 Å²	97.9	71%	0.711	59%	0.59	S	S	*	*			trans	167.8	41	177	0	0	0	0	0	117.2
825	V	26.8	Very low	32.5	Very low	133 Å²	133	106.4 Å²	106.4	81%	0.806	63%	0.627	S	S	*	*			trans	-148.5	104.8	143.4	-173.9	0	0	0	0	109.3
826	T	25.9	Very low	30.9	Very low	129 Å²	129	107.5 Å²	107.5	79%	0.791	65%	0.652	S	S	*	*			trans	-61.6	123.8	158.8	35.1	0	0	0	0	110.9
827	T	26.5	Very low	29.7	Very low	133 Å²	133	114.9 Å²	114.9	82%	0.816	68%	0.682	S	S	*	*			trans	-131.5	114.7	143.3	41	0	0	0	0	110.2
828	V	25.2	Very low	28.5	Very low	111 Å²	111	119.1 Å²	119.1	67%	0.673	71%	0.71	S	S	*	*			trans	-52.9	135.8	172.1	178.4	0	0	0	0	111.6
829	Y	25.2	Very low	27.7	Very low	212 Å²	212	122.9 Å²	122.9	83%	0.831	73%	0.73	S	S	*	*				173.1	103.9	118.3	-98.2	-75.4	0	0	0	112.4
830	S	22.5	Very low	27.2	Very low	103 Å²	103	125.6 Å²	125.6	72%	0.72	74%	0.739	S	S	*	*			trans	43.4	149	135.3	-63.8	0	0	0	0	124.8
831	P	32.3	Very low	27	Very low	124 Å²	124	132.8 Å²	132.8	81%	0.805	77%	0.767	S	S	*	*			trans	-96.3	149.7	-165.2	38.4	-30.8	0	0	0	113
832	S	25.1	Very low	26.9	Very low	115 Å²	115	135 Å²	135	80%	0.804	77%	0.773	S	S	*	*			trans	-142.9	104.5	160.1	57.8	0	0	0	0	110.1
833	V	27.3	Very low	27.1	Very low	123 Å²	123	135 Å²	135	75%	0.745	78%	0.775	S	S	*	*			trans	-70.6	140.5	155.6	179.8	0	0	0	0	106.9	F835	V833-F835 HydrophobicContact CG1-CD2 4.5Å
834	P	31.6	Very low	27	Very low	119 Å²	119	136 Å²	136	77%	0.773	78%	0.775	S	S	*	*				-130.4	142.8	118.3	6.4	14.9	0	0	0	113.6
835	F	25.7	Very low	27.1	Very low	183 Å²	183	138.9 Å²	138.9	80%	0.803	78%	0.779	S	S	*	*			trans	-48	140.7	162.1	-105.2	-109.7	0	0	0	113.5	V833	V833-F835 HydrophobicContact CG1-CD2 4.5Å
836	G	25.3	Very low	27.1	Very low	80 Å²	80	138.4 Å²	138.4	83%	0.825	77%	0.772	S	S	*	*			trans	-161.3	113.9	161.2	0	0	0	0	0	109.9
837	K	24.5	Very low	27.3	Very low	170 Å²	170	138.4 Å²	138.4	74%	0.739	77%	0.771	S	S	*	*			trans	-88.2	157.8	-176.4	-73	178.7	168.5	179.8	0	112.3
838	T	26.8	Very low	27.7	Very low	119 Å²	119	139.9 Å²	139.9	73%	0.73	77%	0.773	S	S	*	*			trans	63.2	129.7	142.3	45.2	0	0	0	0	117.4
839	D	26.1	Very low	28	Very low	132 Å²	132	141.6 Å²	141.6	71%	0.706	77%	0.773	S	S	*	*				-154.6	132.9	53.3	-86	-38.2	0	0	0	111
840	E	27.9	Very low	28.6	Very low	173 Å²	173	136.1 Å²	136.1	81%	0.808	77%	0.766	S	S	*	*				63.1	105.5	102.5	-64.3	-165.2	160.4	0	0	116.3
841	H	29.8	Very low	29.4	Very low	198 Å²	198	135.8 Å²	135.8	92%	0.917	76%	0.756	S	S	*	*				-148.2	136.9	129.8	-104.9	46.8	0	0	0	109.6
842	E	27.6	Very low	30.1	Very low	185 Å²	185	134.9 Å²	134.9	86%	0.864	75%	0.753	S	S	*	*			trans	-90.2	-167.5	-159.6	-146.3	-169.6	-166.9	0	0	112.5
843	P	33.6	Very low	31.2	Very low	94 Å²	94	133.5 Å²	133.5	61%	0.61	75%	0.748	S	S	*	*				-101.2	158.1	-110.5	37.6	-22.3	0	0	0	114
844	L	24.5	Very low	32	Very low	152 Å²	152	134.9 Å²	134.9	80%	0.796	75%	0.745	S	S	*	*			trans	-145	90.5	154.8	-109.8	129.5	0	0	0	110.1	N846	L844-N846 WeakPolarHBondContact CD2-ND2 3.17Å; L844-N846 PolarHBondContact O-N 3.32Å
845	T	29	Very low	33.1	Very low	129 Å²	129	134.8 Å²	134.8	79%	0.791	74%	0.736	S	S	*	*			trans	-56.8	113	149.3	46.9	0	0	0	0	108
846	N	27.7	Very low	34.4	Very low	123 Å²	123	128.1 Å²	128.1	66%	0.658	72%	0.719	S	S	*	*			trans	-140.2	101.2	152.2	-90.1	-24.6	0	0	0	107.8	L844 I848	L844-N846 WeakPolarHBondContact CD2-ND2 3.17Å; L844-N846 PolarHBondContact O-N 3.32Å; N846-I848 PolarHBondContact O-N 3.31Å
847	T	30.3	Very low	36	Very low	128 Å²	128	125.7 Å²	125.7	79%	0.785	70%	0.695	S	S	*	*			trans	-23.6	109.2	144.9	32.1	0	0	0	0	112.4	Q849	T847-Q849 VanDerWaalsContact C-N 3.29Å; T847-Q849 PolarHBondContact O-N 3.32Å
848	I	33.1	Very low	38	Very low	164 Å²	164	121 Å²	121	84%	0.841	68%	0.68	S	S	*	*			trans	-91.4	81.8	156.2	-60.8	178.2	0	0	0	106	N846 S850	N846-I848 PolarHBondContact O-N 3.31Å; I848-S850 PolarHBondContact O-N 3.21Å
849	Q	32.8	Very low	40.2	Very low	147 Å²	147	120.3 Å²	120.3	69%	0.687	67%	0.671	S	S	*	*			trans	-67.5	100.7	158.9	-176.8	174.8	-19.3	0	0	106.2	T847 D851	T847-Q849 VanDerWaalsContact C-N 3.29Å; T847-Q849 PolarHBondContact O-N 3.32Å; Q849-D851 PolarHBondContact NE2-OD1 3.49Å; Q849-D851 PolarHBondContact O-N 3.44Å; Q849-D851 VanDerWaalsContact O-N 3.13Å
850	S	37.3	Very low	42.4	Very low	97 Å²	97	116.6 Å²	116.6	68%	0.678	66%	0.658	S	S	*	*			trans	-75.3	98.5	168.6	57.4	0	0	0	0	107.8	I848 S852	I848-S850 PolarHBondContact O-N 3.21Å; S850-S852 PolarHBondContact O-N 3.17Å
851	D	39.6	Very low	44.7	Very low	96 Å²	96	113.2 Å²	113.2	51%	0.513	65%	0.645	S	S	.	*			trans	-61.9	80.3	171.8	-77.5	-32.8	0	0	0	111	Q849 A853 F854	Q849-D851 PolarHBondContact NE2-OD1 3.49Å; Q849-D851 PolarHBondContact O-N 3.44Å; Q849-D851 VanDerWaalsContact O-N 3.13Å; D851-A853 PolarHBondContact O-N 3.31Å; D851-F854 HydrophobicContact CB-CB 4.38Å
852	S	46.5	Very low	47.1	Very low	106 Å²	106	107.6 Å²	107.6	74%	0.741	62%	0.624	S	S	*	*	H	α-helix	trans	-78.7	-5.9	173.4	56.9	0	0	0	0	113.1	S850	S850-S852 PolarHBondContact O-N 3.17Å
853	A	47.5	Very low	49.7	Very low	85 Å²	85	101.8 Å²	101.8	70%	0.702	60%	0.601	S	S	*	*	H	α-helix	trans	-89.3	-24.1	175.8	0	0	0	0	0	113.5	D851 G857	D851-A853 PolarHBondContact O-N 3.31Å; A853-G857 PolarHBondContact O-N 3.43Å
854	F	46	Very low	52.1	Low	152 Å²	152	104.2 Å²	104.2	67%	0.667	60%	0.603	S	S	*	*	H	α-helix	trans	-83.8	-37.1	-176.3	-156.3	-99.8	0	0	0	112.2	D851 G857 V858	D851-F854 HydrophobicContact CB-CB 4.38Å; F854-G857 PolarHBondContact O-N 2.99Å; F854-V858 HydrophobicContact CD1-CG2 4.2Å; F854-V858 HydrophobicContact CE1-CG2 4.11Å; F854-V858 WeakPolarHBondContact O-CG2 3.38Å; F854-V858 PolarHBondContact O-N 2.81Å
855	I	53.9	Low	55	Low	117 Å²	117	101.4 Å²	101.4	60%	0.6	59%	0.588	S	S	*	*	H	α-helix	trans	-72.2	-38.3	-179.8	-61.3	174	0	0	0	111.3	V858 I859	I855-V858 PolarHBondContact O-N 2.67Å; I855-I859 HydrophobicContact CG2-CD1 3.96Å; I855-I859 VanDerWaalsContact O-CG1 3.29Å; I855-I859 WeakPolarHBondContact O-CG1 3.4Å; I855-I859 PolarHBondContact O-N 3.47Å; I855-I859 VanDerWaalsContact O-N 3.09Å
856	G	53.3	Low	57.8	Low	43 Å²	43	98.6 Å²	98.6	44%	0.443	57%	0.57	S	S	.	*	H	α-helix	trans	-65.4	-36.9	172.4	0	0	0	0	0	112.9	A860	G856-A860 VanDerWaalsContact O-CB 3.26Å; G856-A860 WeakPolarHBondContact O-CB 3.32Å; G856-A860 PolarHBondContact O-N 2.82Å
857	G	58.2	Low	60.7	Low	30 Å²	30	99.8 Å²	99.8	31%	0.309	57%	0.57	S	S	.	*	H	α-helix	trans	-66.4	-42.5	175.4	0	0	0	0	0	113.1	A853 F854 A860 I861	A853-G857 PolarHBondContact O-N 3.43Å; F854-G857 PolarHBondContact O-N 2.99Å; G857-A860 PolarHBondContact O-N 3.18Å; G857-I861 WeakPolarHBondContact O-CB 3.28Å; G857-I861 WeakPolarHBondContact O-CD1 3.22Å; G857-I861 WeakPolarHBondContact O-CG1 3.5Å; G857-I861 PolarHBondContact O-N 2.85Å
858	V	67.4	Low	63.3	Low	71 Å²	71	96.2 Å²	96.2	43%	0.43	55%	0.549	S	S	.	.	H	α-helix	trans	-67.3	-41	177.6	174.6	0	0	0	0	111.2	F854 I855 I861 V862	F854-V858 HydrophobicContact CD1-CG2 4.2Å; F854-V858 HydrophobicContact CE1-CG2 4.11Å; F854-V858 WeakPolarHBondContact O-CG2 3.38Å; F854-V858 PolarHBondContact O-N 2.81Å; I855-V858 PolarHBondContact O-N 2.67Å; V858-I861 PolarHBondContact O-N 2.8Å; V858-V862 HydrophobicContact CG1-CG2 4.35Å; V858-V862 WeakPolarHBondContact O-CB 3.36Å; V858-V862 VanDerWaalsContact O-CG2 3.26Å; V858-V862 WeakPolarHBondContact O-CG2 3.22Å; V858-V862 PolarHBondContact O-N 3.07Å
859	I	72.7	Confident	65.9	Low	104 Å²	104	92.2 Å²	92.2	53%	0.533	53%	0.532	S	S	.	.	H	α-helix	trans	-66.3	-40.3	176.1	-65.1	167.8	0	0	0	110.7	I855 I861 V862 T863	I855-I859 HydrophobicContact CG2-CD1 3.96Å; I855-I859 VanDerWaalsContact O-CG1 3.29Å; I855-I859 WeakPolarHBondContact O-CG1 3.4Å; I855-I859 PolarHBondContact O-N 3.47Å; I855-I859 VanDerWaalsContact O-N 3.09Å; I859-I861 PolarHBondContact O-N 3.28Å; I859-V862 PolarHBondContact O-N 2.75Å; I859-T863 HydrophobicContact CG2-CG2 4.37Å; I859-T863 WeakPolarHBondContact O-CB 3.47Å; I859-T863 VanDerWaalsContact O-CG2 3.31Å; I859-T863 WeakPolarHBondContact O-CG2 3.32Å; I859-T863 PolarHBondContact O-N 3.43Å; I859-T863 PolarHBondContact O-OG1 2.79Å
860	A	72.3	Confident	68.5	Low	54 Å²	54	90.1 Å²	90.1	45%	0.446	53%	0.525	S	S	.	.	H	α-helix	trans	-64	-38.7	175	0	0	0	0	0	112.4	G856 G857 T863 F864	G856-A860 VanDerWaalsContact O-CB 3.26Å; G856-A860 WeakPolarHBondContact O-CB 3.32Å; G856-A860 PolarHBondContact O-N 2.82Å; G857-A860 PolarHBondContact O-N 3.18Å; A860-T863 VanDerWaalsContact CA-OG1 3.31Å; A860-T863 WeakPolarHBondContact CA-OG1 3.25Å; A860-T863 PolarHBondContact O-OG1 2.88Å; A860-F864 WeakPolarHBondContact O-CB 3.24Å; A860-F864 PolarHBondContact O-N 3.14Å
861	I	75.9	Confident	71	Confident	102 Å²	102	87.5 Å²	87.5	52%	0.523	51%	0.514	S	S	.	.	H	α-helix	trans	-70.3	-42.6	177.2	-69.6	164.8	0	0	0	110.9	G857 V858 I859 F864 I865	G857-I861 WeakPolarHBondContact O-CB 3.28Å; G857-I861 WeakPolarHBondContact O-CD1 3.22Å; G857-I861 WeakPolarHBondContact O-CG1 3.5Å; G857-I861 PolarHBondContact O-N 2.85Å; V858-I861 PolarHBondContact O-N 2.8Å; I859-I861 PolarHBondContact O-N 3.28Å; I861-F864 PolarHBondContact O-N 2.92Å; I861-I865 HydrophobicContact CG2-CD1 3.69Å; I861-I865 HydrophobicContact CG2-CG1 4.36Å; I861-I865 WeakPolarHBondContact O-CB 3.31Å; I861-I865 WeakPolarHBondContact O-CG1 3.34Å; I861-I865 PolarHBondContact O-N 3.41Å
862	V	80.7	Confident	73.1	Confident	81 Å²	81	88.4 Å²	88.4	49%	0.491	52%	0.517	S	S	.	.	H	α-helix	trans	-67.6	-40	178.4	172.8	0	0	0	0	111.4	V858 I859 I865 T866	V858-V862 HydrophobicContact CG1-CG2 4.35Å; V858-V862 WeakPolarHBondContact O-CB 3.36Å; V858-V862 VanDerWaalsContact O-CG2 3.26Å; V858-V862 WeakPolarHBondContact O-CG2 3.22Å; V858-V862 PolarHBondContact O-N 3.07Å; I859-V862 PolarHBondContact O-N 2.75Å; V862-I865 PolarHBondContact O-N 3.24Å; V862-T866 WeakPolarHBondContact O-CB 3.43Å; V862-T866 WeakPolarHBondContact O-CG2 3.5Å; V862-T866 PolarHBondContact O-N 2.67Å; V862-T866 PolarHBondContact O-OG1 3.02Å
863	T	82.1	Confident	74.9	Confident	62 Å²	62	88.4 Å²	88.4	38%	0.38	51%	0.507	S	S	.	.	H	α-helix	trans	-65.9	-41.7	173.3	49.5	0	0	0	0	111.3	I859 A860 I865 T866 F867	I859-T863 HydrophobicContact CG2-CG2 4.37Å; I859-T863 WeakPolarHBondContact O-CB 3.47Å; I859-T863 VanDerWaalsContact O-CG2 3.31Å; I859-T863 WeakPolarHBondContact O-CG2 3.32Å; I859-T863 PolarHBondContact O-N 3.43Å; I859-T863 PolarHBondContact O-OG1 2.79Å; A860-T863 VanDerWaalsContact CA-OG1 3.31Å; A860-T863 WeakPolarHBondContact CA-OG1 3.25Å; A860-T863 PolarHBondContact O-OG1 2.88Å; T863-I865 PolarHBondContact O-N 3.21Å; T863-T866 VanDerWaalsContact CA-OG1 3.26Å; T863-T866 WeakPolarHBondContact CA-OG1 3.3Å; T863-T866 PolarHBondContact O-N 3.04Å; T863-T866 PolarHBondContact O-OG1 2.86Å; T863-F867 WeakPolarHBondContact O-CD2 3.39Å; T863-F867 PolarHBondContact O-N 3.48Å
864	F	83.9	Confident	76.7	Confident	146 Å²	146	88.8 Å²	88.8	64%	0.64	50%	0.5	S	S	*	.	H	α-helix	trans	-64.6	-40.2	175.8	-173.3	-100.4	0	0	0	112.9	A860 I861 F867 C868	A860-F864 WeakPolarHBondContact O-CB 3.24Å; A860-F864 PolarHBondContact O-N 3.14Å; I861-F864 PolarHBondContact O-N 2.92Å; F864-F867 PolarHBondContact O-N 2.97Å; F864-C868 VanDerWaalsContact CE1-SG 3.56Å; F864-C868 WeakPolarHBondContact O-CB 3.41Å; F864-C868 PolarHBondContact O-N 3.06Å; F864-C868 PolarHBondContact O-SG 3.33Å
865	I	85.1	Confident	78.1	Confident	93 Å²	93	86.7 Å²	86.7	48%	0.477	49%	0.492	S	S	.	.	H	α-helix	trans	-66	-42.3	175.8	-70	168	0	0	0	110.6	I861 V862 T863 C868 V869	I861-I865 HydrophobicContact CG2-CD1 3.69Å; I861-I865 HydrophobicContact CG2-CG1 4.36Å; I861-I865 WeakPolarHBondContact O-CB 3.31Å; I861-I865 WeakPolarHBondContact O-CG1 3.34Å; I861-I865 PolarHBondContact O-N 3.41Å; V862-I865 PolarHBondContact O-N 3.24Å; T863-I865 PolarHBondContact O-N 3.21Å; I865-C868 PolarHBondContact O-N 3.44Å; I865-V869 HydrophobicContact CG2-CG2 4.39Å; I865-V869 VanDerWaalsContact O-CG2 3.32Å; I865-V869 WeakPolarHBondContact O-CG2 3.31Å; I865-V869 PolarHBondContact O-N 2.94Å
866	T	87.1	Confident	79.2	Confident	69 Å²	69	87 Å²	87	42%	0.423	49%	0.49	S	S	.	.	H	α-helix	trans	-65.6	-39.6	177.5	44.4	0	0	0	0	112.2	V862 T863 V869 L870	V862-T866 WeakPolarHBondContact O-CB 3.43Å; V862-T866 WeakPolarHBondContact O-CG2 3.5Å; V862-T866 PolarHBondContact O-N 2.67Å; V862-T866 PolarHBondContact O-OG1 3.02Å; T863-T866 VanDerWaalsContact CA-OG1 3.26Å; T863-T866 WeakPolarHBondContact CA-OG1 3.3Å; T863-T866 PolarHBondContact O-N 3.04Å; T863-T866 PolarHBondContact O-OG1 2.86Å; T866-V869 PolarHBondContact O-N 2.91Å; T866-L870 WeakPolarHBondContact O-CB 3.37Å; T866-L870 PolarHBondContact O-N 3.27Å
867	F	88.8	Confident	80.3	Confident	149 Å²	149	89.8 Å²	89.8	65%	0.654	49%	0.494	S	S	*	.	H	α-helix	trans	-65.9	-37.4	171.7	-82	-65.8	0	0	0	112.8	T863 F864 L870 G871	T863-F867 WeakPolarHBondContact O-CD2 3.39Å; T863-F867 PolarHBondContact O-N 3.48Å; F864-F867 PolarHBondContact O-N 2.97Å; F867-L870 PolarHBondContact O-N 3Å; F867-G871 PolarHBondContact O-N 3.16Å
868	C	85	Confident	81.1	Confident	52 Å²	52	95.3 Å²	95.3	35%	0.351	51%	0.506	S	S	.	.	H	α-helix	trans	-63.8	-43.6	173.4	-72.1	0	0	0	0	111.7	F864 I865 G871 I872	F864-C868 VanDerWaalsContact CE1-SG 3.56Å; F864-C868 WeakPolarHBondContact O-CB 3.41Å; F864-C868 PolarHBondContact O-N 3.06Å; F864-C868 PolarHBondContact O-SG 3.33Å; I865-C868 PolarHBondContact O-N 3.44Å; C868-G871 PolarHBondContact O-N 2.85Å; C868-I872 VanDerWaalsContact O-CG1 3.24Å; C868-I872 WeakPolarHBondContact O-CG1 3.42Å; C868-I872 PolarHBondContact O-N 2.85Å
869	V	87.4	Confident	80.9	Confident	81 Å²	81	96.6 Å²	96.6	49%	0.491	51%	0.508	S	S	.	.	H	α-helix	trans	-65.2	-42.6	177.1	172.6	0	0	0	0	110.9	I865 T866 G871 I872 M873	I865-V869 HydrophobicContact CG2-CG2 4.39Å; I865-V869 VanDerWaalsContact O-CG2 3.32Å; I865-V869 WeakPolarHBondContact O-CG2 3.31Å; I865-V869 PolarHBondContact O-N 2.94Å; T866-V869 PolarHBondContact O-N 2.91Å; V869-G871 VanDerWaalsContact C-N 3.35Å; V869-G871 PolarHBondContact O-N 2.89Å; V869-I872 PolarHBondContact O-N 2.89Å; V869-M873 HydrophobicContact CG1-CG 4.39Å; V869-M873 WeakPolarHBondContact O-CB 3.38Å; V869-M873 VanDerWaalsContact O-CG 3.27Å; V869-M873 WeakPolarHBondContact O-CG 3.49Å; V869-M873 PolarHBondContact O-N 2.8Å
870	L	87.9	Confident	80.5	Confident	103 Å²	103	96.9 Å²	96.9	54%	0.539	51%	0.507	S	S	.	.	H	α-helix	trans	-61.9	-42.3	173.5	-82.3	162.8	0	0	0	111.7	T866 F867 M873 V874	T866-L870 WeakPolarHBondContact O-CB 3.37Å; T866-L870 PolarHBondContact O-N 3.27Å; F867-L870 PolarHBondContact O-N 3Å; L870-M873 PolarHBondContact O-N 3.48Å; L870-V874 WeakPolarHBondContact O-CB 3.43Å; L870-V874 VanDerWaalsContact O-CG2 3.26Å; L870-V874 WeakPolarHBondContact O-CG2 3.38Å; L870-V874 PolarHBondContact O-N 2.7Å
871	G	89.1	Confident	79.9	Confident	42 Å²	42	102 Å²	102	43%	0.433	52%	0.519	S	S	.	.	H	α-helix	trans	-61.7	-42.2	174.8	0	0	0	0	0	112.6	F867 C868 V869 V874 H875	F867-G871 PolarHBondContact O-N 3.16Å; C868-G871 PolarHBondContact O-N 2.85Å; V869-G871 VanDerWaalsContact C-N 3.35Å; V869-G871 PolarHBondContact O-N 2.89Å; G871-V874 PolarHBondContact O-N 2.84Å; G871-H875 VanDerWaalsContact O-CB 3.26Å; G871-H875 WeakPolarHBondContact O-CB 3.47Å; G871-H875 PolarHBondContact O-N 2.82Å
872	I	84.6	Confident	78.9	Confident	114 Å²	114	102.2 Å²	102.2	59%	0.585	52%	0.518	S	S	*	.	H	α-helix	trans	-67	-41.2	175.4	-67.6	164.2	0	0	0	110.7	C868 V869 H875 F876	C868-I872 VanDerWaalsContact O-CG1 3.24Å; C868-I872 WeakPolarHBondContact O-CG1 3.42Å; C868-I872 PolarHBondContact O-N 2.85Å; V869-I872 PolarHBondContact O-N 2.89Å; I872-H875 CarbonylContact O-C 3.59Å; I872-H875 PolarHBondContact O-N 2.87Å; I872-F876 VanDerWaalsContact O-CB 3.25Å; I872-F876 WeakPolarHBondContact O-CB 3.43Å; I872-F876 PolarHBondContact O-N 2.76Å
873	M	84.1	Confident	77.3	Confident	106 Å²	106	101.7 Å²	101.7	52%	0.522	52%	0.517	S	S	.	.	H	α-helix	trans	-65.4	-41.4	176.3	-72.8	-63.9	-72.5	0	0	111.7	V869 L870 F876 L877	V869-M873 HydrophobicContact CG1-CG 4.39Å; V869-M873 WeakPolarHBondContact O-CB 3.38Å; V869-M873 VanDerWaalsContact O-CG 3.27Å; V869-M873 WeakPolarHBondContact O-CG 3.49Å; V869-M873 PolarHBondContact O-N 2.8Å; L870-M873 PolarHBondContact O-N 3.48Å; M873-F876 PolarHBondContact O-N 3.49Å; M873-L877 WeakPolarHBondContact O-CB 3.33Å; M873-L877 WeakPolarHBondContact O-CG 3.23Å; M873-L877 PolarHBondContact O-N 2.89Å
874	V	84.4	Confident	75.7	Confident	93 Å²	93	105.9 Å²	105.9	56%	0.564	53%	0.533	S	S	*	.	H	α-helix	trans	-65	-41.3	173.6	170.9	0	0	0	0	110.5	L870 G871 L877 Y878	L870-V874 WeakPolarHBondContact O-CB 3.43Å; L870-V874 VanDerWaalsContact O-CG2 3.26Å; L870-V874 WeakPolarHBondContact O-CG2 3.38Å; L870-V874 PolarHBondContact O-N 2.7Å; G871-V874 PolarHBondContact O-N 2.84Å; V874-L877 PolarHBondContact O-N 3.37Å; V874-Y878 WeakPolarHBondContact O-CB 3.46Å; V874-Y878 PolarHBondContact O-N 3.15Å
875	H	77.3	Confident	73.9	Confident	109 Å²	109	108.2 Å²	108.2	51%	0.505	54%	0.537	S	S	.	.	H	α-helix	trans	-66.2	-38.3	175.7	-166.3	78.6	0	0	0	112.1	G871 I872 Y878 Q879	G871-H875 VanDerWaalsContact O-CB 3.26Å; G871-H875 WeakPolarHBondContact O-CB 3.47Å; G871-H875 PolarHBondContact O-N 2.82Å; I872-H875 CarbonylContact O-C 3.59Å; I872-H875 PolarHBondContact O-N 2.87Å; H875-Y878 PolarHBondContact O-N 2.81Å; H875-Q879 PolarHBondContact CD2-NE2 3.49Å; H875-Q879 PolarHBondContact NE2-NE2 2.91Å; H875-Q879 WeakPolarHBondContact O-CB 3.15Å; H875-Q879 WeakPolarHBondContact O-CG 3.42Å; H875-Q879 PolarHBondContact O-N 2.88Å
876	F	76.8	Confident	71.9	Confident	123 Å²	123	108.3 Å²	108.3	54%	0.539	54%	0.542	S	S	.	.	H	α-helix	trans	-68.9	-41.5	176.8	-164.4	-92.7	0	0	0	111.5	I872 M873 Y878 Q879 Q880	I872-F876 VanDerWaalsContact O-CB 3.25Å; I872-F876 WeakPolarHBondContact O-CB 3.43Å; I872-F876 PolarHBondContact O-N 2.76Å; M873-F876 PolarHBondContact O-N 3.49Å; F876-Y878 VanDerWaalsContact C-N 3.33Å; F876-Q879 PolarHBondContact O-N 3.33Å; F876-Q880 WeakPolarHBondContact O-CB 3.49Å; F876-Q880 PolarHBondContact O-N 2.84Å
877	L	76.4	Confident	69.7	Low	102 Å²	102	111.4 Å²	111.4	53%	0.534	56%	0.556	S	S	.	*	H	α-helix	trans	-65.5	-36.6	172.3	-71.7	171.3	0	0	0	111.6	M873 V874 K881	M873-L877 WeakPolarHBondContact O-CB 3.33Å; M873-L877 WeakPolarHBondContact O-CG 3.23Å; M873-L877 PolarHBondContact O-N 2.89Å; V874-L877 PolarHBondContact O-N 3.37Å; L877-K881 WeakPolarHBondContact O-CB 3.37Å; L877-K881 PolarHBondContact O-N 3.41Å
878	Y	73.3	Confident	67.4	Low	145 Å²	145	112.6 Å²	112.6	57%	0.569	56%	0.563	S	S	*	*	H	α-helix	trans	-69.7	-39.6	175.4	-161.7	-94	0	0	0	111.8	V874 H875 F876 K881 Q882	V874-Y878 WeakPolarHBondContact O-CB 3.46Å; V874-Y878 PolarHBondContact O-N 3.15Å; H875-Y878 PolarHBondContact O-N 2.81Å; F876-Y878 VanDerWaalsContact C-N 3.33Å; Y878-K881 PolarHBondContact O-N 2.84Å; Y878-Q882 PolarHBondContact O-N 2.82Å
879	Q	64.2	Low	65.1	Low	99 Å²	99	118 Å²	118	46%	0.463	59%	0.586	S	S	.	*	H	α-helix	trans	-67	-39.4	172.8	-78.1	-168	0.5	0	0	112.1	H875 F876 K881 Q882 S883	H875-Q879 PolarHBondContact CD2-NE2 3.49Å; H875-Q879 PolarHBondContact NE2-NE2 2.91Å; H875-Q879 WeakPolarHBondContact O-CB 3.15Å; H875-Q879 WeakPolarHBondContact O-CG 3.42Å; H875-Q879 PolarHBondContact O-N 2.88Å; F876-Q879 PolarHBondContact O-N 3.33Å; Q879-K881 VanDerWaalsContact C-N 3.31Å; Q879-K881 PolarHBondContact O-N 2.88Å; Q879-Q882 PolarHBondContact O-N 3.27Å; Q879-S883 WeakPolarHBondContact O-CB 3.42Å; Q879-S883 PolarHBondContact O-N 2.97Å
880	Q	63.6	Low	62.6	Low	110 Å²	110	123.1 Å²	123.1	51%	0.514	60%	0.601	S	S	.	*	H	α-helix	trans	-61.7	-40.6	171.6	-103.9	-168.7	-23.2	0	0	111.5	F876 Q882 S883 H884	F876-Q880 WeakPolarHBondContact O-CB 3.49Å; F876-Q880 PolarHBondContact O-N 2.84Å; Q880-Q882 VanDerWaalsContact C-N 3.35Å; Q880-S883 PolarHBondContact O-N 2.85Å; Q880-H884 PolarHBondContact O-N 2.76Å
881	K	60.3	Low	59.9	Low	160 Å²	160	127.3 Å²	127.3	70%	0.696	62%	0.618	S	S	*	*	H	α-helix	trans	-68.3	-33.4	177.1	-157.9	172.9	-173.7	176.1	0	112.1	L877 Y878 Q879 R885	L877-K881 WeakPolarHBondContact O-CB 3.37Å; L877-K881 PolarHBondContact O-N 3.41Å; Y878-K881 PolarHBondContact O-N 2.84Å; Q879-K881 VanDerWaalsContact C-N 3.31Å; Q879-K881 PolarHBondContact O-N 2.88Å; K881-R885 WeakPolarHBondContact O-CB 3.4Å; K881-R885 PolarHBondContact O-N 2.8Å; K881-R885 VanDerWaalsContact O-N 3.16Å
882	Q	54	Low	57.1	Low	108 Å²	108	134.3 Å²	134.3	51%	0.505	64%	0.637	S	S	.	*	H	α-helix	trans	-72.3	-38.1	171.4	-106	178.3	-16.6	0	0	112.6	Y878 Q879 Q880 H884 R885 T886	Y878-Q882 PolarHBondContact O-N 2.82Å; Q879-Q882 PolarHBondContact O-N 3.27Å; Q880-Q882 VanDerWaalsContact C-N 3.35Å; Q882-H884 VanDerWaalsContact C-N 3.33Å; Q882-H884 PolarHBondContact O-N 3.4Å; Q882-R885 PolarHBondContact O-N 3.26Å; Q882-T886 PolarHBondContact O-N 3.33Å; Q882-T886 PolarHBondContact O-OG1 3.46Å
883	S	47.8	Very low	54.6	Low	69 Å²	69	137.3 Å²	137.3	48%	0.483	65%	0.648	S	S	.	*	H	α-helix	trans	-64.2	-37.3	174.8	-166.5	0	0	0	0	111.8	Q879 Q880 N887	Q879-S883 WeakPolarHBondContact O-CB 3.42Å; Q879-S883 PolarHBondContact O-N 2.97Å; Q880-S883 PolarHBondContact O-N 2.85Å; S883-N887 PolarHBondContact O-N 3.34Å
884	H	48.9	Very low	52	Low	151 Å²	151	143.1 Å²	143.1	70%	0.699	67%	0.666	S	S	*	*	H	α-helix	trans	-70.1	-32	173.7	-109.9	-71	0	0	0	113.3	Q880 Q882	Q880-H884 PolarHBondContact O-N 2.76Å; Q882-H884 VanDerWaalsContact C-N 3.33Å; Q882-H884 PolarHBondContact O-N 3.4Å
885	R	45.9	Very low	49.3	Very low	195 Å²	195	143.6 Å²	143.6	74%	0.736	67%	0.671	S	S	*	*	H	α-helix	trans	-77.7	-26.6	177.8	-135.7	175.1	-173.9	179.9	0.2	112.9	K881 Q882	K881-R885 WeakPolarHBondContact O-CB 3.4Å; K881-R885 PolarHBondContact O-N 2.8Å; K881-R885 VanDerWaalsContact O-N 3.16Å; Q882-R885 PolarHBondContact O-N 3.26Å
886	T	43.3	Very low	46.9	Very low	94 Å²	94	145.3 Å²	145.3	58%	0.577	68%	0.684	S	S	*	*	H	α-helix	trans	-83.8	-24.7	-179.1	-40.8	0	0	0	0	112.4	Q882 Q888	Q882-T886 PolarHBondContact O-N 3.33Å; Q882-T886 PolarHBondContact O-OG1 3.46Å; T886-Q888 VanDerWaalsContact C-N 3.34Å
887	N	40.2	Very low	44.5	Very low	134 Å²	134	146 Å²	146	72%	0.717	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-12.5	173	-77.6	-9.1	0	0	0	114.1	S883	S883-N887 PolarHBondContact O-N 3.34Å
888	Q	41.2	Very low	42.3	Very low	174 Å²	174	147.5 Å²	147.5	81%	0.813	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-2	178.1	-106.3	-179	-3.9	0	0	114.4	T886	T886-Q888 VanDerWaalsContact C-N 3.34Å
889	M	37	Very low	40.2	Very low	166 Å²	166	147.3 Å²	147.3	82%	0.818	71%	0.71	S	S	*	*	S	Bend	trans	-116.1	14.4	-177.8	-79.5	-175.5	168.5	0	0	114.4
890	K	35	Very low	38.4	Very low	189 Å²	189	147.4 Å²	147.4	82%	0.822	72%	0.721	S	S	*	*			trans	-138.8	67.8	173.9	-84.2	-172.3	175.5	177	0	113.3
891	E	31.7	Very low	36.6	Very low	190 Å²	190	146.9 Å²	146.9	89%	0.888	73%	0.73	S	S	*	*			trans	-167.1	83.1	148.1	-138.2	168.9	175.1	0	0	107.7
892	K	28.5	Very low	35.1	Very low	189 Å²	189	148.8 Å²	148.8	82%	0.822	74%	0.738	S	S	*	*				61.8	109.6	96.3	-95.3	-173	174.3	-177.5	0	115.5
893	E	33.3	Very low	33.8	Very low	177 Å²	177	153.9 Å²	153.9	83%	0.827	75%	0.753	S	S	*	*			trans	-2.3	134.8	134.4	-77.7	170.5	137.3	0	0	116.6
894	Y	28.1	Very low	32.9	Very low	228 Å²	228	155.9 Å²	155.9	89%	0.894	76%	0.758	S	S	*	*			trans	-140.9	134.8	143.5	-111.6	-83.8	0	0	0	111.8
895	P	29.3	Very low	31.9	Very low	103 Å²	103	154.7 Å²	154.7	67%	0.669	76%	0.757	S	S	*	*			trans	-98.7	153.7	175.2	37.2	-31.5	0	0	0	113.8
896	D	25.3	Very low	31.2	Very low	145 Å²	145	152.9 Å²	152.9	78%	0.775	76%	0.761	S	S	*	*			trans	29.4	137	150.3	-71.5	-19.6	0	0	0	125.1
897	N	28.2	Very low	30.3	Very low	139 Å²	139	154.3 Å²	154.3	74%	0.743	77%	0.765	S	S	*	*			trans	81.3	139.4	150.8	-68.6	-27.1	0	0	0	118.5
898	L	29.4	Very low	29.7	Very low	133 Å²	133	154 Å²	154	70%	0.696	76%	0.762	S	S	*	*			cis	-164.3	150	12.3	-156.6	77.2	0	0	0	111.3
899	D	28.1	Very low	29	Very low	141 Å²	141	153 Å²	153	75%	0.754	76%	0.758	S	S	*	*			trans	65.9	135.7	148.9	-87.4	-19.8	0	0	0	121.1
900	S	27	Very low	29	Very low	100 Å²	100	153 Å²	153	70%	0.699	76%	0.761	S	S	*	*			cis	-166.1	155.7	31.9	49.2	0	0	0	0	114.6
901	S	27.1	Very low	28.5	Very low	100 Å²	100	149.7 Å²	149.7	70%	0.699	76%	0.757	S	S	*	*			trans	79.4	125.5	157.7	99.2	0	0	0	0	116.7
902	F	27	Very low	28.5	Very low	199 Å²	199	144.7 Å²	144.7	87%	0.873	75%	0.748	S	S	*	*			cis	-144.3	136.2	24.7	-111.5	-93.2	0	0	0	112.3
903	R	28.3	Very low	28.5	Very low	215 Å²	215	142.5 Å²	142.5	81%	0.811	74%	0.744	S	S	*	*			trans	-44.4	162.4	162.9	-73.5	179.8	150.9	163.8	-5.9	115
904	N	28.4	Very low	28.3	Very low	111 Å²	111	141 Å²	141	59%	0.594	74%	0.737	S	S	*	*			cis	-169	147.5	-6.8	-107	13.7	0	0	0	107.9
905	D	28.6	Very low	28.2	Very low	127 Å²	127	136.8 Å²	136.8	68%	0.679	74%	0.739	S	S	*	*			trans	53.7	140.3	131.8	-44.6	-28.5	0	0	0	119.7
906	I	29.9	Very low	28	Very low	157 Å²	157	137.5 Å²	137.5	81%	0.805	73%	0.732	S	S	*	*				-173.8	149.7	53	-78.7	179.5	0	0	0	104.5
907	D	26	Very low	28	Very low	123 Å²	123	142.2 Å²	142.2	66%	0.658	74%	0.739	S	S	*	*			cis	179.6	159	-6.4	-172.9	23.4	0	0	0	108.2
908	L	27.1	Very low	28	Very low	128 Å²	128	140.6 Å²	140.6	67%	0.67	73%	0.727	S	S	*	*			trans	56.1	139.8	147.5	-115.2	68.2	0	0	0	125.6
909	Q	26.2	Very low	27.8	Very low	153 Å²	153	144.2 Å²	144.2	72%	0.715	73%	0.732	S	S	*	*			trans	103.3	100.7	143.2	-79.3	177.1	-10.5	0	0	119.8	T911	Q909-T911 PolarHBondContact O-N 3.32Å
910	N	37.6	Very low	27.6	Very low	167 Å²	167	145 Å²	145	89%	0.893	73%	0.729	S	S	*	*			trans	-52.6	121.8	138.3	-88	-28.6	0	0	0	110
911	T	24.3	Very low	28	Very low	119 Å²	119	151.5 Å²	151.5	73%	0.73	75%	0.754	S	S	*	*			trans	-145.3	143.6	157.5	29.1	0	0	0	0	109.6	Q909	Q909-T911 PolarHBondContact O-N 3.32Å
912	A	31.7	Very low	28	Very low	85 Å²	85	154.1 Å²	154.1	70%	0.702	76%	0.756	S	S	*	*			trans	-48.7	171.5	157.4	0	0	0	0	0	112.5
913	I	27.8	Very low	28.1	Very low	142 Å²	142	151.7 Å²	151.7	73%	0.728	75%	0.75	S	S	*	*			trans	111.4	118.8	156.6	-60.5	164.3	0	0	0	115
914	E	28.8	Very low	28.1	Very low	147 Å²	147	148.2 Å²	148.2	69%	0.687	75%	0.747	S	S	*	*			trans	41.7	133.6	144.7	-62.8	170.9	134.8	0	0	121.2
915	C	25.2	Very low	28.1	Very low	139 Å²	139	150.4 Å²	150.4	94%	0.939	76%	0.756	S	S	*	*			trans	-127.7	91.6	137.8	-110.6	0	0	0	0	109.6
916	K	25.9	Very low	28	Very low	118 Å²	118	151.8 Å²	151.8	51%	0.513	76%	0.761	S	S	.	*			trans	-49.7	149.5	154.3	-80.6	179.7	173.2	-167.8	0	111.1	E918	K916-E918 HydrophobicContact CD-CG 4.2Å; K916-E918 VanDerWaalsContact CE-OE1 3.31Å; K916-E918 WeakPolarHBondContact CE-OE1 3.48Å; K916-E918 IonicContact NZ-OE1 2.7Å; K916-E918 PolarHBondContact NZ-OE1 3.04Å; K916-E918 IonicContact NZ-OE2 3.49Å; K916-E918 PolarHBondContact NZ-OE2 3.49Å
917	R	25.6	Very low	27.9	Very low	244 Å²	244	151.5 Å²	151.5	92%	0.921	76%	0.758	S	S	*	*				-140.5	103.6	122.6	-110.7	-179.7	-175.7	-177.7	1.4	110.3
918	E	27.1	Very low	28	Very low	105 Å²	105	153.5 Å²	153.5	49%	0.491	77%	0.765	S	S	.	*			trans	-60.5	154.6	156.2	-65.9	163.4	156.2	0	0	110.5	K916	K916-E918 HydrophobicContact CD-CG 4.2Å; K916-E918 VanDerWaalsContact CE-OE1 3.31Å; K916-E918 WeakPolarHBondContact CE-OE1 3.48Å; K916-E918 IonicContact NZ-OE1 2.7Å; K916-E918 PolarHBondContact NZ-OE1 3.04Å; K916-E918 IonicContact NZ-OE2 3.49Å; K916-E918 PolarHBondContact NZ-OE2 3.49Å
919	Y	25.8	Very low	28.1	Very low	208 Å²	208	155.5 Å²	155.5	82%	0.816	77%	0.772	S	S	*	*				-155.7	108	107.8	-79.7	-82	0	0	0	107.8
920	F	24.9	Very low	28.3	Very low	158 Å²	158	155.7 Å²	155.7	69%	0.693	78%	0.777	S	S	*	*				90.8	112.7	94.3	-93.4	-86.2	0	0	0	114.6
921	I	34.3	Very low	27.4	Very low	236 Å²	236	154.6 Å²	154.6	100%	1.21	77%	0.766	S	S	*	*			trans	55.6	0	159.7	-55	170.6	0	0	0	117.8

Retrieved 921 of 921 residues in 1801.4 ms (Link to these results)

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