A0A087YD63_POEFO Loading...

ADAM metallopeptidase domain 17

AlphaFold DB , UniProt , Accession A0A087YD63, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 841 aa.

						>A0A087YD63_POEFO|A0A087YD63
MGANFVVLTLLAVFLSRTEPAVSPPEDKQQQEFEPLRSMLDNFDVLPFSSLQTHSVRRRDVQTEAHVEKLLSFNALQRNFRLYLRTNNEIFTEDFKAVVEDEDGQRRSFPVNRHNYFTGHVIGEENSRVQAHIDDHEFSAHILTDEAEYNIEPLWRFTSAPPDGRLLIYRSEDIRNISRLQQPSVCGYVASESAHLLPEGVRTATKGDEEESVFRGKRQVTDHKKNTCPMLLVADHRFYQYMGRKEESTTINYLIELIDRVDDIYRNTSWDEEFSGYGVQIQQIIIQKYPTEVGPGESHFNMRGSPVEGKDVWDVKKLLEQFSVDIAENASSVCLAHLFTYQDFDEGTLGLAYVAPNKPDFPGGLCSKPCVSTANKHGFICLNTGLTSTKNYGKTILTKEADLVTTHELGHNFGAEHDPDNVPYCAPREDQGGKYVMYPIAVSGDHVNNKLFSNCSKQSIVKRLRSKAASCFKERNVNVCGNSRVEQGEECDPGLLHFNSDRCCTQDCRLKDGAECSDRNSACCKDCRFQVRGEVCQEPINATCKGHSYCTGNSSECPPPENAPDTTVCLDNGECRGGKCVPFCQVVKKLESCACNETNSSCKVCCRGSNGVCSPFVDVKGDFVYLRKGKPCTVGFCDGAGKCMKQVQDVVERLWDFIDKLDINTFRKFLADNIVGSVVAFSLLFWVPFSILVHCVDKKMDRQYEETTKSLFFSSNAELLSSLDSASVRIFKPLNFPPAPVRLPPISPQLASTPPVFGAAPASSHTSPPLDAPHMATILENPSLDSHLDEEELQEAFGRPAGATRRSFEDLTERNPMRRSNKSKLFRLQRQHQIDSKETQC
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.9	Very low	38.5	Very low	254 Å²	254	140.5 Å²	140.5	100%	1.251	81%	0.805	S	S	*	*				0	117.1	0	-66.6	166.5	177.1	0	0	106.8
2	G	45.5	Very low	38.1	Very low	88 Å²	88	135.7 Å²	135.7	91%	0.907	80%	0.796	S	S	*	*			trans	178.8	31.6	-166.9	0	0	0	0	0	115.3
3	A	39.2	Very low	37.9	Very low	90 Å²	90	133.8 Å²	133.8	74%	0.744	79%	0.786	S	S	*	*			trans	-151.5	112	174.7	0	0	0	0	0	107.8
4	N	38.1	Very low	37.6	Very low	156 Å²	156	137.5 Å²	137.5	83%	0.834	79%	0.788	S	S	*	*	S	Bend	trans	178.5	1.8	164.8	-101.6	-7	0	0	0	115.3
5	F	39	Very low	37.1	Very low	200 Å²	200	139.1 Å²	139.1	88%	0.877	79%	0.792	S	S	*	*	S	Bend	trans	-117.3	7.4	-171.2	-112.3	-85.2	0	0	0	116.9
6	V	41.6	Very low	36.8	Very low	117 Å²	117	137.1 Å²	137.1	71%	0.709	79%	0.79	S	S	*	*	S	Bend	trans	-111.6	-13.8	-179.6	-176.1	0	0	0	0	112.8
7	V	39.7	Very low	36.6	Very low	104 Å²	104	141.3 Å²	141.3	63%	0.63	79%	0.789	S	S	*	*	S	Bend	trans	-80.1	-26.2	-174	-179.5	0	0	0	0	112.9	T9	V7-T9 PolarHBondContact O-N 3.44Å
8	L	37.1	Very low	36.3	Very low	157 Å²	157	141.2 Å²	141.2	82%	0.822	79%	0.793	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-17.1	-167.7	-139.4	73.8	0	0	0	114.9
9	T	35.9	Very low	35.9	Very low	112 Å²	112	141.1 Å²	141.1	69%	0.687	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	-12	-173.6	-5.4	0	0	0	0	114.6	V7	V7-T9 PolarHBondContact O-N 3.44Å
10	L	32.9	Very low	35.7	Very low	140 Å²	140	139.3 Å²	139.3	73%	0.733	78%	0.78	S	S	*	*	S	Bend	trans	-95.8	-12.9	-178.2	-90.9	161.2	0	0	0	114.3
11	L	33.8	Very low	35.6	Very low	127 Å²	127	137.7 Å²	137.7	67%	0.665	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-8.9	-179.9	-86.7	159.8	0	0	0	114.4
12	A	33.5	Very low	35.3	Very low	83 Å²	83	131.7 Å²	131.7	69%	0.686	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	-5.4	-174.4	0	0	0	0	0	115.2
13	V	35.3	Very low	35.1	Very low	111 Å²	111	132 Å²	132	67%	0.673	75%	0.75	S	S	*	*	S	Bend	trans	-106.4	-10.4	-173.2	-173.8	0	0	0	0	113
14	F	33.7	Very low	35.1	Very low	186 Å²	186	130.8 Å²	130.8	82%	0.816	74%	0.735	S	S	*	*	S	Bend	trans	-105.7	31.5	-179.2	-84.4	-76.2	0	0	0	114.2
15	L	30.5	Very low	35.2	Very low	161 Å²	161	127.3 Å²	127.3	84%	0.843	72%	0.721	S	S	*	*			trans	-117.3	41	170.3	-73.8	172.2	0	0	0	112.2	R17	L15-R17 PolarHBondContact O-N 3.26Å
16	S	31.6	Very low	35.5	Very low	108 Å²	108	124.9 Å²	124.9	76%	0.755	71%	0.712	S	S	*	*			trans	-73.4	105.3	166.7	-65	0	0	0	0	110	T18	S16-T18 PolarHBondContact O-N 3.5Å
17	R	33.8	Very low	35.9	Very low	208 Å²	208	125.3 Å²	125.3	79%	0.785	71%	0.71	S	S	*	*			trans	-0.4	97.2	170.5	-63.1	-173.7	-173.6	-176.6	6.7	116.7	L15 E19	L15-R17 PolarHBondContact O-N 3.26Å; R17-E19 VanDerWaalsContact C-N 3.35Å; R17-E19 HydrophobicContact CB-CG 4.45Å; R17-E19 WeakPolarHBondContact CD-OE1 3.31Å; R17-E19 IonicContact CZ-OE1 3.88Å; R17-E19 IonicContact NH1-OE1 2.62Å; R17-E19 PolarHBondContact NH1-OE1 3.31Å; R17-E19 PolarHBondContact O-N 3.17Å
18	T	31.4	Very low	36.4	Very low	140 Å²	140	127 Å²	127	86%	0.859	71%	0.709	S	S	*	*			trans	-83	86.1	143.3	39.3	0	0	0	0	108.3	S16 P20	S16-T18 PolarHBondContact O-N 3.5Å; T18-P20 WeakPolarHBondContact O-CD 3.15Å
19	E	29.4	Very low	37.1	Very low	138 Å²	138	123.7 Å²	123.7	65%	0.645	69%	0.69	S	S	*	*			trans	-62.8	123.4	161.6	-75.8	171.1	-175.8	0	0	107.2	R17 A21	R17-E19 VanDerWaalsContact C-N 3.35Å; R17-E19 HydrophobicContact CB-CG 4.45Å; R17-E19 WeakPolarHBondContact CD-OE1 3.31Å; R17-E19 IonicContact CZ-OE1 3.88Å; R17-E19 IonicContact NH1-OE1 2.62Å; R17-E19 PolarHBondContact NH1-OE1 3.31Å; R17-E19 PolarHBondContact O-N 3.17Å; E19-A21 PolarHBondContact O-N 2.95Å
20	P	30.6	Very low	38	Very low	106 Å²	106	122.6 Å²	122.6	69%	0.688	68%	0.677	S	S	*	*			trans	-63.6	133.2	172.5	27.6	-32.8	0	0	0	107.7	T18 V22	T18-P20 WeakPolarHBondContact O-CD 3.15Å; P20-V22 VanDerWaalsContact C-N 3.34Å; P20-V22 PolarHBondContact O-N 3.45Å
21	A	34.7	Very low	39.3	Very low	105 Å²	105	123.3 Å²	123.3	87%	0.868	68%	0.676	S	S	*	*			trans	-63.8	96.3	176.5	0	0	0	0	0	109.2	E19 S23	E19-A21 PolarHBondContact O-N 2.95Å; A21-S23 PolarHBondContact O-N 3.37Å
22	V	35	Very low	41.1	Very low	129 Å²	129	120 Å²	120	78%	0.782	66%	0.657	S	S	*	*			trans	-66.7	106.2	176.5	177.2	0	0	0	0	107.3	P20	P20-V22 VanDerWaalsContact C-N 3.34Å; P20-V22 PolarHBondContact O-N 3.45Å
23	S	40.3	Very low	43.2	Very low	94 Å²	94	117.2 Å²	117.2	66%	0.657	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-50.9	130.7	168.3	50.3	0	0	0	0	109	A21	A21-S23 PolarHBondContact O-N 3.37Å
24	P	39.6	Very low	44.8	Very low	65 Å²	65	116.5 Å²	116.5	42%	0.422	62%	0.619	S	S	.	*	P	Polyproline II helix	trans	-57.3	144.8	176.1	25.5	-33.8	0	0	0	109.7	K28 Q29	P24-K28 HydrophobicContact CB-CB 4.43Å; P24-Q29 HydrophobicContact CG-CG 4.23Å
25	P	39.2	Very low	46.5	Very low	83 Å²	83	110.5 Å²	110.5	54%	0.539	60%	0.599	S	S	.	*	P	Polyproline II helix	trans	-59.4	146.2	-179.5	25.8	-35	0	0	0	110.8	D27 K28	P25-D27 PolarHBondContact O-N 3.24Å; P25-D27 VanDerWaalsContact O-N 3.07Å; P25-K28 HydrophobicContact CG-CD 4.46Å; P25-K28 HydrophobicContact CG-CG 4.34Å; P25-K28 WeakPolarHBondContact O-CB 3.26Å; P25-K28 PolarHBondContact O-N 3.18Å
26	E	45.7	Very low	48.6	Very low	149 Å²	149	102.8 Å²	102.8	70%	0.696	56%	0.559	S	S	*	*	H	α-helix	trans	-53.3	-36.2	-169.4	-65.2	178.5	104.4	0	0	113.4	K28 Q29 Q30	E26-K28 PolarHBondContact O-N 2.73Å; E26-K28 VanDerWaalsContact O-N 3.17Å; E26-Q29 PolarHBondContact O-N 3.47Å; E26-Q29 VanDerWaalsContact O-N 3.15Å; E26-Q30 WeakPolarHBondContact O-CG 3.45Å; E26-Q30 PolarHBondContact O-N 2.86Å
27	D	50.4	Low	50.8	Low	125 Å²	125	102 Å²	102	67%	0.668	54%	0.539	S	S	*	.	H	α-helix	trans	-48.3	-40.9	172.7	-76.8	-46.5	0	0	0	113.3	P25 Q30 Q31	P25-D27 PolarHBondContact O-N 3.24Å; P25-D27 VanDerWaalsContact O-N 3.07Å; D27-Q30 PolarHBondContact O-N 2.84Å; D27-Q31 PolarHBondContact O-N 2.62Å
28	K	50.7	Low	52.5	Low	140 Å²	140	93.7 Å²	93.7	61%	0.609	51%	0.513	S	S	*	.	H	α-helix	trans	-73.1	-38.4	-177.7	-76.9	-166.9	172	-169.8	0	112.7	P24 P25 E26 Q30 E32	P24-K28 HydrophobicContact CB-CB 4.43Å; P25-K28 HydrophobicContact CG-CD 4.46Å; P25-K28 HydrophobicContact CG-CG 4.34Å; P25-K28 WeakPolarHBondContact O-CB 3.26Å; P25-K28 PolarHBondContact O-N 3.18Å; E26-K28 PolarHBondContact O-N 2.73Å; E26-K28 VanDerWaalsContact O-N 3.17Å; K28-Q30 VanDerWaalsContact C-N 3.33Å; K28-E32 WeakPolarHBondContact O-CB 3.4Å; K28-E32 PolarHBondContact O-N 3.5Å; K28-E32 VanDerWaalsContact O-N 3.11Å
29	Q	52.2	Low	54.3	Low	88 Å²	88	87.8 Å²	87.8	41%	0.411	48%	0.476	S	S	.	.	H	α-helix	trans	-69.8	-35.1	174.4	-75.1	-172.3	-30.4	0	0	111.1	P24 E26 E32 F33	P24-Q29 HydrophobicContact CG-CG 4.23Å; E26-Q29 PolarHBondContact O-N 3.47Å; E26-Q29 VanDerWaalsContact O-N 3.15Å; Q29-E32 PolarHBondContact O-N 2.86Å; Q29-F33 HydrophobicContact CB-CE2 4.2Å; Q29-F33 WeakPolarHBondContact O-CD2 3.48Å; Q29-F33 WeakPolarHBondContact O-CG 3.5Å; Q29-F33 PolarHBondContact O-N 2.81Å
30	Q	53.5	Low	56.5	Low	89 Å²	89	81.3 Å²	81.3	42%	0.416	45%	0.445	S	S	.	.	H	α-helix	trans	-65.2	-47.3	176.5	-68.3	177.3	18.1	0	0	111.1	E26 D27 K28 E32 F33 E34	E26-Q30 WeakPolarHBondContact O-CG 3.45Å; E26-Q30 PolarHBondContact O-N 2.86Å; D27-Q30 PolarHBondContact O-N 2.84Å; K28-Q30 VanDerWaalsContact C-N 3.33Å; Q30-E32 PolarHBondContact O-N 3.45Å; Q30-F33 PolarHBondContact O-N 3.38Å; Q30-E34 PolarHBondContact O-N 3.29Å
31	Q	61	Low	58.7	Low	154 Å²	154	78.7 Å²	78.7	72%	0.72	43%	0.426	S	S	*	.	H	α-helix	trans	-61.5	-38.3	174.7	-79.4	-168.7	-30.8	0	0	114.2	D27 F33 E34	D27-Q31 PolarHBondContact O-N 2.62Å; Q31-F33 PolarHBondContact O-N 3.05Å; Q31-E34 PolarHBondContact O-N 2.88Å
32	E	70.8	Confident	61.1	Low	57 Å²	57	76.4 Å²	76.4	27%	0.266	40%	0.399	S	S	.	.	H	α-helix	trans	-61.3	-33.9	178.8	-177.4	174.9	-132.2	0	0	112.6	K28 Q29 Q30 R165	K28-E32 WeakPolarHBondContact O-CB 3.4Å; K28-E32 PolarHBondContact O-N 3.5Å; K28-E32 VanDerWaalsContact O-N 3.11Å; Q29-E32 PolarHBondContact O-N 2.86Å; Q30-E32 PolarHBondContact O-N 3.45Å; E32-R165 IonicContact OE1-CZ 3.2Å; E32-R165 IonicContact OE1-NH1 3.95Å; E32-R165 IonicContact OE1-NH2 3.52Å; E32-R165 PolarHBondContact OE1-NH2 3.02Å; E32-R165 IonicContact OE2-CZ 3.08Å; E32-R165 IonicContact OE2-NH1 2.78Å; E32-R165 PolarHBondContact OE2-NH1 2.9Å; E32-R165 IonicContact OE2-NH2 2.73Å; E32-R165 PolarHBondContact OE2-NH2 3.32Å
33	F	77.8	Confident	63.6	Low	26 Å²	26	72 Å²	72	11%	0.114	37%	0.37	C	S	.	.	H	α-helix	trans	-96.8	0.6	-175.5	-55.8	-38.6	0	0	0	114.8	Q29 Q30 Q31 L36 R37 F43 V45 L154	Q29-F33 HydrophobicContact CB-CE2 4.2Å; Q29-F33 WeakPolarHBondContact O-CD2 3.48Å; Q29-F33 WeakPolarHBondContact O-CG 3.5Å; Q29-F33 PolarHBondContact O-N 2.81Å; Q30-F33 PolarHBondContact O-N 3.38Å; Q31-F33 PolarHBondContact O-N 3.05Å; F33-L36 HydrophobicContact CD1-CD1 4.05Å; F33-L36 WeakPolarHBondContact O-CB 3.43Å; F33-L36 PolarHBondContact O-N 2.83Å; F33-R37 WeakPolarHBondContact O-CG 3.44Å; F33-R37 PolarHBondContact O-N 3.36Å; F33-F43 HydrophobicContact CB-CZ 4.17Å; F33-V45 HydrophobicContact CE1-CG2 4.22Å; F33-V45 HydrophobicContact CZ-CG2 4.25Å; F33-L154 HydrophobicContact CE1-CD1 4.4Å; F33-L154 HydrophobicContact CE1-CD2 4.17Å
34	E	69.2	Low	65.9	Low	95 Å²	95	70.2 Å²	70.2	44%	0.444	35%	0.352	S	S	.	.	H	α-helix	trans	-59.5	-38.6	177.3	-74.1	-50.6	131.3	0	0	114.6	Q30 Q31 L36 R37 S38	Q30-E34 PolarHBondContact O-N 3.29Å; Q31-E34 PolarHBondContact O-N 2.88Å; E34-L36 VanDerWaalsContact C-N 3.33Å; E34-L36 PolarHBondContact O-N 3.49Å; E34-R37 PolarHBondContact O-N 3.45Å; E34-R37 WeakPolarHBondContact OE1-CD 3.43Å; E34-R37 IonicContact OE1-CZ 2.8Å; E34-R37 IonicContact OE1-NE 3.29Å; E34-R37 IonicContact OE1-NH1 3.82Å; E34-R37 PolarHBondContact OE1-NH1 2.68Å; E34-S38 PolarHBondContact O-N 3.17Å
35	P	68.4	Low	68.2	Low	60 Å²	60	69.1 Å²	69.1	39%	0.39	35%	0.345	S	S	.	.	H	α-helix	trans	-58.4	-44.8	172.8	-24.9	35.2	0	0	0	112.3	S38	P35-S38 WeakPolarHBondContact O-CB 3.28Å; P35-S38 PolarHBondContact O-N 3.03Å; P35-S38 VanDerWaalsContact O-N 3.16Å; P35-S38 PolarHBondContact O-OG 2.92Å
36	L	74.5	Confident	70.5	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-65.1	-42.5	176.7	-70.7	171	0	0	0	112	F33 E34 S38 M39 L40 F43 L154 F157 T158 L167	F33-L36 HydrophobicContact CD1-CD1 4.05Å; F33-L36 WeakPolarHBondContact O-CB 3.43Å; F33-L36 PolarHBondContact O-N 2.83Å; E34-L36 VanDerWaalsContact C-N 3.33Å; E34-L36 PolarHBondContact O-N 3.49Å; L36-S38 PolarHBondContact O-N 3.14Å; L36-M39 HydrophobicContact CD2-CE 4.1Å; L36-M39 CarbonylContact O-C 3.55Å; L36-M39 WeakPolarHBondContact O-CA 3.35Å; L36-M39 PolarHBondContact O-N 3.03Å; L36-L40 HydrophobicContact CD2-CD1 4.44Å; L36-L40 PolarHBondContact O-N 3.41Å; L36-F43 HydrophobicContact CB-CE1 4.26Å; L36-F43 HydrophobicContact CB-CZ 4.07Å; L36-F43 HydrophobicContact CD1-CE2 4.33Å; L36-L154 HydrophobicContact CD1-CD1 3.59Å; L36-F157 HydrophobicContact CD2-CB 3.54Å; L36-F157 HydrophobicContact CD2-CD2 4.35Å; L36-F157 HydrophobicContact CD2-CG 4.16Å; L36-F157 HydrophobicContact CG-CB 4.42Å; L36-T158 HydrophobicContact CD1-CG2 3.99Å; L36-T158 HydrophobicContact CG-CG2 4.36Å; L36-L167 HydrophobicContact CD1-CD1 4.11Å; L36-L167 HydrophobicContact CD2-CD1 4.32Å; L36-L167 HydrophobicContact CD2-CD2 3.55Å
37	R	78.1	Confident	72.4	Confident	91 Å²	91	62.6 Å²	62.6	34%	0.343	31%	0.313	S	S	.	.	H	α-helix	trans	-62.8	-25.6	174	-71.8	167.1	168.2	-164.7	-4.5	112.1	F33 E34 M39 F43 R175	F33-R37 WeakPolarHBondContact O-CG 3.44Å; F33-R37 PolarHBondContact O-N 3.36Å; E34-R37 PolarHBondContact O-N 3.45Å; E34-R37 WeakPolarHBondContact OE1-CD 3.43Å; E34-R37 IonicContact OE1-CZ 2.8Å; E34-R37 IonicContact OE1-NE 3.29Å; E34-R37 IonicContact OE1-NH1 3.82Å; E34-R37 PolarHBondContact OE1-NH1 2.68Å; R37-M39 VanDerWaalsContact C-N 3.26Å; R37-M39 PolarHBondContact O-N 2.83Å; R37-F43 HydrophobicContact CG-CE1 4.17Å; R37-F43 HydrophobicContact CG-CZ 4.33Å; R37-R175 WeakPolarHBondContact O-CD 3.44Å; R37-R175 PolarHBondContact O-NH1 2.99Å
38	S	70.3	Confident	73.9	Confident	33 Å²	33	59.3 Å²	59.3	23%	0.231	29%	0.293	C	S	.	.	H	α-helix	trans	-66.6	-31.1	169.8	85	0	0	0	0	112.3	E34 P35 L36 R175 I177 K394	E34-S38 PolarHBondContact O-N 3.17Å; P35-S38 WeakPolarHBondContact O-CB 3.28Å; P35-S38 PolarHBondContact O-N 3.03Å; P35-S38 VanDerWaalsContact O-N 3.16Å; P35-S38 PolarHBondContact O-OG 2.92Å; L36-S38 PolarHBondContact O-N 3.14Å; S38-R175 WeakPolarHBondContact O-CD 3.32Å; S38-I177 WeakPolarHBondContact O-CD1 3.25Å; S38-K394 PolarHBondContact OG-NZ 3.37Å
39	M	69.6	Low	75.1	Confident	16 Å²	16	58 Å²	58	8%	0.079	30%	0.301	C	S	.	.	H	α-helix	trans	-101.9	-20.5	-172.6	-60.1	-175.8	-67.7	0	0	115.4	L36 R37 F157 R175 I177 L397	L36-M39 HydrophobicContact CD2-CE 4.1Å; L36-M39 CarbonylContact O-C 3.55Å; L36-M39 WeakPolarHBondContact O-CA 3.35Å; L36-M39 PolarHBondContact O-N 3.03Å; R37-M39 VanDerWaalsContact C-N 3.26Å; R37-M39 PolarHBondContact O-N 2.83Å; M39-F157 HydrophobicContact CE-CB 4.16Å; M39-F157 HydrophobicContact CE-CD1 4.35Å; M39-R175 WeakPolarHBondContact O-CB 3.5Å; M39-R175 PolarHBondContact O-N 3.25Å; M39-I177 HydrophobicContact CB-CD1 4.24Å; M39-I177 HydrophobicContact CG-CD1 3.62Å; M39-L397 HydrophobicContact CB-CD1 4.46Å; M39-L397 HydrophobicContact CE-CD2 4.32Å; M39-L397 HydrophobicContact SD-CD2 4.2Å; M39-L397 HydrophobicContact SD-CG 4.44Å
40	L	75.4	Confident	76.3	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.01	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-135.6	138.9	-172.5	-61.8	173.5	0	0	0	111.9	L36 F43 L167 Y169 D173 I174 L397	L36-L40 HydrophobicContact CD2-CD1 4.44Å; L36-L40 PolarHBondContact O-N 3.41Å; L40-F43 HydrophobicContact CB-CD1 3.77Å; L40-F43 HydrophobicContact CB-CE1 4.41Å; L40-F43 HydrophobicContact CD1-CB 4.06Å; L40-F43 HydrophobicContact CD1-CD1 4.12Å; L40-F43 HydrophobicContact CD1-CG 4.22Å; L40-L167 HydrophobicContact CD1-CD1 4.2Å; L40-L167 HydrophobicContact CD1-CD2 4.05Å; L40-L167 HydrophobicContact CD1-CG 4.46Å; L40-Y169 HydrophobicContact CD1-CD1 4.32Å; L40-Y169 HydrophobicContact CD1-CD2 4.38Å; L40-Y169 HydrophobicContact CD1-CG 3.99Å; L40-Y169 HydrophobicContact CD2-CD2 3.54Å; L40-Y169 HydrophobicContact CD2-CE2 4.12Å; L40-Y169 HydrophobicContact CD2-CG 3.95Å; L40-D173 CarbonylContact C-O 3.51Å; L40-D173 VanDerWaalsContact CA-O 3.32Å; L40-D173 WeakPolarHBondContact CA-O 3.44Å; L40-I174 HydrophobicContact CD2-CG1 3.9Å; L40-L397 HydrophobicContact CD2-CD1 3.97Å
41	D	77	Confident	77.5	Confident	51 Å²	51	52.3 Å²	52.3	27%	0.273	28%	0.28	S	S	.	.	S	Bend	trans	-83.1	-33.3	174.2	-89.4	-80.2	0	0	0	113.3	D173 R175 F636	D41-D173 PolarHBondContact N-O 2.86Å; D41-R175 IonicContact OD1-CZ 3.6Å; D41-R175 IonicContact OD1-NE 2.71Å; D41-R175 PolarHBondContact OD1-NE 3.39Å; D41-R175 IonicContact OD1-NH2 2.75Å; D41-R175 PolarHBondContact OD1-NH2 2.82Å; D41-R175 WeakPolarHBondContact OD2-CG 3.32Å; D41-R175 IonicContact OD2-CZ 2.74Å; D41-R175 IonicContact OD2-NE 3.15Å; D41-R175 PolarHBondContact OD2-NE 3.22Å; D41-R175 IonicContact OD2-NH2 3.33Å; D41-F636 VanDerWaalsContact CG-CD2 3.49Å; D41-F636 VanDerWaalsContact CG-CE2 3.48Å; D41-F636 VanDerWaalsContact OD1-CD2 3.27Å; D41-F636 WeakPolarHBondContact OD1-CD2 3.28Å; D41-F636 WeakPolarHBondContact OD2-CD2 3.42Å; D41-F636 WeakPolarHBondContact OD2-CE2 3.27Å
42	N	83.6	Confident	78	Confident	58 Å²	58	51.1 Å²	51.1	31%	0.31	28%	0.275	S	S	.	.	S	Bend	trans	-154.2	129.5	-175.6	174.7	81.6	0	0	0	110	D173	N42-D173 HydrophobicContact CB-CB 4.32Å; N42-D173 PolarHBondContact ND2-OD2 3.31Å; N42-D173 WeakPolarHBondContact O-CB 3.04Å
43	F	88	Confident	77.7	Confident	37 Å²	37	51.2 Å²	51.2	16%	0.162	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	151.3	-179.1	60.9	-89	0	0	0	110	F33 L36 R37 L40 V45 L167 I168	F33-F43 HydrophobicContact CB-CZ 4.17Å; L36-F43 HydrophobicContact CB-CE1 4.26Å; L36-F43 HydrophobicContact CB-CZ 4.07Å; L36-F43 HydrophobicContact CD1-CE2 4.33Å; R37-F43 HydrophobicContact CG-CE1 4.17Å; R37-F43 HydrophobicContact CG-CZ 4.33Å; L40-F43 HydrophobicContact CB-CD1 3.77Å; L40-F43 HydrophobicContact CB-CE1 4.41Å; L40-F43 HydrophobicContact CD1-CB 4.06Å; L40-F43 HydrophobicContact CD1-CD1 4.12Å; L40-F43 HydrophobicContact CD1-CG 4.22Å; F43-V45 HydrophobicContact CD2-CG2 3.83Å; F43-V45 HydrophobicContact CE2-CG2 3.84Å; F43-L167 HydrophobicContact CB-CD1 3.87Å; F43-L167 HydrophobicContact CD2-CD1 3.5Å; F43-L167 VanDerWaalsContact CD2-CD1 3.5Å; F43-L167 HydrophobicContact CE2-CD1 4.26Å; F43-L167 HydrophobicContact CG-CD1 3.85Å; F43-I168 CarbonylContact C-O 3.3Å; F43-I168 VanDerWaalsContact CA-O 3.27Å; F43-I168 WeakPolarHBondContact CA-O 3.42Å; F43-I168 WeakPolarHBondContact CB-O 3.46Å
44	D	89.3	Confident	76.8	Confident	55 Å²	55	55.7 Å²	55.7	29%	0.294	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	155.3	168	-84.3	1.9	0	0	0	109.6	A75 L76 I168	D44-A75 WeakPolarHBondContact OD2-CA 3.36Å; D44-L76 HydrophobicContact CB-CD2 3.99Å; D44-L76 PolarHBondContact OD2-N 3.32Å; D44-I168 HydrophobicContact CB-CB 4.38Å; D44-I168 PolarHBondContact N-O 2.92Å; D44-I168 PolarHBondContact O-N 3.07Å
45	V	88	Confident	76	Confident	43 Å²	43	55.1 Å²	55.1	26%	0.261	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	115.9	171.2	-178.8	0	0	0	0	108.9	F33 F43 L154 R165 L166 L167	F33-V45 HydrophobicContact CE1-CG2 4.22Å; F33-V45 HydrophobicContact CZ-CG2 4.25Å; F43-V45 HydrophobicContact CD2-CG2 3.83Å; F43-V45 HydrophobicContact CE2-CG2 3.84Å; V45-L154 HydrophobicContact CG1-CD1 4.22Å; V45-L154 HydrophobicContact CG1-CD2 3.91Å; V45-L154 HydrophobicContact CG2-CD1 4.08Å; V45-R165 HydrophobicContact CG1-CB 4Å; V45-R165 HydrophobicContact CG1-CG 4.24Å; V45-L166 CarbonylContact C-O 3.58Å; V45-L166 VanDerWaalsContact CA-O 3.31Å; V45-L166 WeakPolarHBondContact CA-O 3.48Å; V45-L167 HydrophobicContact CG2-CD1 4.34Å
46	L	87.8	Confident	75.1	Confident	32 Å²	32	55.8 Å²	55.8	17%	0.168	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	145.7	-176.8	-60.4	-174.3	0	0	0	111.4	F73 N74 A75 R165 L166 I168	L46-F73 HydrophobicContact CD1-CD2 4.48Å; L46-N74 VanDerWaalsContact CD1-O 3.32Å; L46-N74 WeakPolarHBondContact CD1-O 3.47Å; L46-A75 HydrophobicContact CD1-CB 4.09Å; L46-R165 CarbonylContact O-C 3.55Å; L46-R165 WeakPolarHBondContact O-CA 3.47Å; L46-L166 PolarHBondContact N-O 2.67Å; L46-L166 PolarHBondContact O-N 2.74Å; L46-I168 HydrophobicContact CB-CD1 4.46Å; L46-I168 HydrophobicContact CD1-CD1 3.59Å; L46-I168 HydrophobicContact CG-CD1 4.01Å
47	P	85.6	Confident	73.6	Confident	63 Å²	63	65 Å²	65	41%	0.409	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	143.2	168.1	32.1	-33.4	0	0	0	110.3	S49 S50	P47-S49 PolarHBondContact O-N 2.98Å; P47-S49 VanDerWaalsContact O-N 3.12Å; P47-S50 VanDerWaalsContact O-CB 3.31Å; P47-S50 WeakPolarHBondContact O-CB 3.38Å; P47-S50 PolarHBondContact O-N 3.17Å; P47-S50 PolarHBondContact O-OG 3.07Å
48	F	81.5	Confident	71.6	Confident	56 Å²	56	64.4 Å²	64.4	25%	0.246	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-52.1	-33.6	175.3	173.2	-124.1	0	0	0	112.9	S50 L51 F138 G164 L166	F48-S50 PolarHBondContact O-N 2.87Å; F48-S50 VanDerWaalsContact O-N 3.08Å; F48-L51 HydrophobicContact CD2-CD1 3.82Å; F48-L51 HydrophobicContact CD2-CG 4.43Å; F48-L51 HydrophobicContact CE2-CD1 4.18Å; F48-L51 WeakPolarHBondContact O-CB 3.44Å; F48-L51 WeakPolarHBondContact O-CG 3.19Å; F48-L51 PolarHBondContact O-N 3.18Å; F48-F138 HydrophobicContact CD2-CB 3.76Å; F48-F138 HydrophobicContact CE2-CB 3.8Å; F48-G164 VanDerWaalsContact CB-O 3.25Å; F48-G164 WeakPolarHBondContact CB-O 3.04Å; F48-G164 PolarHBondContact N-O 2.79Å; F48-L166 HydrophobicContact CB-CD1 4.41Å; F48-L166 HydrophobicContact CD2-CD1 4.49Å
49	S	76.8	Confident	70	Confident	112 Å²	112	74.5 Å²	74.5	78%	0.783	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-64.5	-8	174.5	57.8	0	0	0	0	115.4	P47	P47-S49 PolarHBondContact O-N 2.98Å; P47-S49 VanDerWaalsContact O-N 3.12Å
50	S	77.2	Confident	68.4	Low	44 Å²	44	78.1 Å²	78.1	31%	0.308	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-83.2	-13.5	171.6	68.8	0	0	0	0	113.9	P47 F48 Q52	P47-S50 VanDerWaalsContact O-CB 3.31Å; P47-S50 WeakPolarHBondContact O-CB 3.38Å; P47-S50 PolarHBondContact O-N 3.17Å; P47-S50 PolarHBondContact O-OG 3.07Å; F48-S50 PolarHBondContact O-N 2.87Å; F48-S50 VanDerWaalsContact O-N 3.08Å; S50-Q52 PolarHBondContact O-N 2.96Å
51	L	78.8	Confident	66.6	Low	13 Å²	13	85.4 Å²	85.4	7%	0.068	44%	0.439	C	S	.	.	S	Bend	trans	-76.6	101.8	178.5	-55.5	-171.4	0	0	0	110.6	F48 T53 L71 F73 F138 L166	F48-L51 HydrophobicContact CD2-CD1 3.82Å; F48-L51 HydrophobicContact CD2-CG 4.43Å; F48-L51 HydrophobicContact CE2-CD1 4.18Å; F48-L51 WeakPolarHBondContact O-CB 3.44Å; F48-L51 WeakPolarHBondContact O-CG 3.19Å; F48-L51 PolarHBondContact O-N 3.18Å; L51-T53 PolarHBondContact O-N 2.83Å; L51-T53 PolarHBondContact O-OG1 3.47Å; L51-L71 HydrophobicContact CB-CD1 4.39Å; L51-L71 HydrophobicContact CB-CG 4.46Å; L51-L71 HydrophobicContact CD1-CD1 4.3Å; L51-F73 HydrophobicContact CD2-CB 3.61Å; L51-F73 HydrophobicContact CD2-CD1 3.78Å; L51-F73 HydrophobicContact CD2-CD2 4.39Å; L51-F73 HydrophobicContact CD2-CG 3.66Å; L51-F138 HydrophobicContact CD1-CB 3.92Å; L51-F138 HydrophobicContact CD1-CD1 3.62Å; L51-F138 HydrophobicContact CD1-CD2 3.63Å; L51-F138 HydrophobicContact CD1-CE1 3.96Å; L51-F138 HydrophobicContact CD1-CE2 3.99Å; L51-F138 HydrophobicContact CD1-CG 3.43Å; L51-F138 VanDerWaalsContact CD1-CG 3.43Å; L51-F138 HydrophobicContact CD1-CZ 4.14Å; L51-L166 HydrophobicContact CD1-CD1 3.8Å; L51-L166 HydrophobicContact CD2-CD1 4.33Å; L51-L166 HydrophobicContact CG-CD1 4.17Å
52	Q	69.9	Low	64.6	Low	130 Å²	130	91.8 Å²	91.8	61%	0.607	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.9	99.7	176.5	-64.2	-174.2	-8.5	0	0	109.4	S50 L71 S72	S50-Q52 PolarHBondContact O-N 2.96Å; Q52-L71 CarbonylContact O-C 3.55Å; Q52-L71 WeakPolarHBondContact O-CA 3.1Å; Q52-S72 WeakPolarHBondContact CB-O 3.42Å; Q52-S72 PolarHBondContact N-O 3.08Å; Q52-S72 PolarHBondContact O-N 3.05Å
53	T	64.6	Low	62.7	Low	59 Å²	59	92.6 Å²	92.6	36%	0.362	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	117.5	-174.2	-55.9	0	0	0	0	110.9	L51 L71	L51-T53 PolarHBondContact O-N 2.83Å; L51-T53 PolarHBondContact O-OG1 3.47Å; T53-L71 HydrophobicContact CG2-CD1 4.45Å; T53-L71 WeakPolarHBondContact OG1-CD1 3.4Å
54	H	59.3	Low	60.5	Low	119 Å²	119	97.6 Å²	97.6	55%	0.551	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.3	98.4	171.9	-68	-73	0	0	0	109.3	L70	H54-L70 PolarHBondContact N-O 3.15Å; H54-L70 PolarHBondContact O-N 3.17Å
55	S	53.4	Low	58.6	Low	84 Å²	84	97.1 Å²	97.1	59%	0.587	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	135.3	173.8	52.6	0	0	0	0	111
56	V	49.3	Very low	57.1	Low	74 Å²	74	97.8 Å²	97.8	45%	0.448	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	95.4	179.9	-169	0	0	0	0	109.5	E68 L496	V56-E68 PolarHBondContact N-O 2.85Å; V56-E68 VanDerWaalsContact N-O 3.16Å; V56-L496 HydrophobicContact CB-CD1 3.92Å; V56-L496 HydrophobicContact CB-CD2 4.08Å; V56-L496 HydrophobicContact CG1-CD1 3.79Å; V56-L496 HydrophobicContact CG1-CD2 3.56Å; V56-L496 HydrophobicContact CG1-CG 4.35Å; V56-L496 HydrophobicContact CG2-CD1 4.41Å
57	R	43.3	Very low	56	Low	193 Å²	193	98.1 Å²	98.1	73%	0.728	51%	0.505	S	S	*	.			trans	-101.2	119.2	178.3	-167.7	173.2	-176.5	171.6	2	110.4	E64	R57-E64 IonicContact NH2-OE1 2.72Å; R57-E64 PolarHBondContact NH2-OE1 3.16Å
58	R	35.9	Very low	55.3	Low	78 Å²	78	95.7 Å²	95.7	29%	0.294	49%	0.488	S	S	.	.			trans	-64.4	151.4	172.1	-77.3	179.2	65.1	166.8	-1.4	110.9	D60 L495 L496	R58-D60 IonicContact CZ-OD2 2.68Å; R58-D60 VanDerWaalsContact CZ-OD2 3.28Å; R58-D60 IonicContact NE-OD2 3.98Å; R58-D60 PolarHBondContact NE-OD2 2.87Å; R58-D60 IonicContact NH2-OD2 3.5Å; R58-D60 PolarHBondContact NH2-OD2 3.03Å; R58-L495 PolarHBondContact NH1-O 3.4Å; R58-L496 HydrophobicContact CG-CD2 4.19Å
59	R	36.8	Very low	54.9	Low	246 Å²	246	94.5 Å²	94.5	93%	0.928	48%	0.483	S	S	*	.			trans	-101.1	51.3	173.8	-64	-174.4	-175.1	171.6	2	111.2
60	D	34.3	Very low	54.6	Low	92 Å²	92	91.7 Å²	91.7	49%	0.492	46%	0.459	S	S	.	.			trans	-119.2	140.1	176.3	-69.3	-56.1	0	0	0	109.9	R58 Q62	R58-D60 IonicContact CZ-OD2 2.68Å; R58-D60 VanDerWaalsContact CZ-OD2 3.28Å; R58-D60 IonicContact NE-OD2 3.98Å; R58-D60 PolarHBondContact NE-OD2 2.87Å; R58-D60 IonicContact NH2-OD2 3.5Å; R58-D60 PolarHBondContact NH2-OD2 3.03Å; D60-Q62 VanDerWaalsContact C-N 3.27Å; D60-Q62 PolarHBondContact O-N 3.07Å; D60-Q62 VanDerWaalsContact O-N 3.11Å
61	V	38.5	Very low	54.9	Low	154 Å²	154	89.6 Å²	89.6	93%	0.933	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	28	-159.3	-169.9	0	0	0	0	113
62	Q	34.8	Very low	55.1	Low	185 Å²	185	89.7 Å²	89.7	86%	0.864	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.5	0.7	-169.9	-124.9	168.7	-2.1	0	0	118.9	D60	D60-Q62 VanDerWaalsContact C-N 3.27Å; D60-Q62 PolarHBondContact O-N 3.07Å; D60-Q62 VanDerWaalsContact O-N 3.11Å
63	T	43.1	Very low	55.9	Low	75 Å²	75	83.9 Å²	83.9	46%	0.46	42%	0.419	S	S	.	.			trans	-136.8	75.5	177.4	42.6	0	0	0	0	112.8	A65	T63-A65 VanDerWaalsContact C-N 3.28Å
64	E	43	Very low	56.8	Low	142 Å²	142	86.3 Å²	86.3	66%	0.664	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-19.5	171.6	-58.4	-155.7	107.4	0	0	113.2	R57 H66 H114	R57-E64 IonicContact NH2-OE1 2.72Å; R57-E64 PolarHBondContact NH2-OE1 3.16Å; E64-H66 PolarHBondContact O-N 2.92Å; E64-H114 PolarHBondContact O-CD2 3.43Å; E64-H114 PolarHBondContact O-NE2 2.71Å
65	A	48.7	Very low	58.1	Low	45 Å²	45	80.7 Å²	80.7	37%	0.372	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-6.5	-167.5	0	0	0	0	0	117.3	T63 N88 H114	T63-A65 VanDerWaalsContact C-N 3.28Å; A65-N88 PolarHBondContact O-ND2 2.73Å; A65-N88 VanDerWaalsContact O-ND2 3.07Å; A65-H114 WeakPolarHBondContact CA-NE2 3.46Å
66	H	56.4	Low	59.5	Low	58 Å²	58	78 Å²	78	27%	0.269	38%	0.383	S	S	.	.			trans	-143.1	112.6	-172.3	-69.2	108.5	0	0	0	111.1	E64 N88 L495	E64-H66 PolarHBondContact O-N 2.92Å; H66-N88 PolarHBondContact CD2-ND2 2.91Å; H66-N88 VanDerWaalsContact CD2-ND2 3.33Å; H66-N88 PolarHBondContact NE2-ND2 2.65Å; H66-L495 HydrophobicContact CB-CD1 3.72Å; H66-L495 HydrophobicContact CB-CD2 3.73Å; H66-L495 HydrophobicContact CB-CG 4.19Å
67	V	65.3	Low	61	Low	38 Å²	38	84.4 Å²	84.4	23%	0.23	41%	0.408	C	S	.	.			trans	-112.9	129.7	178.1	-177.9	0	0	0	0	109.4	K69 T86 H114 F117	V67-K69 HydrophobicContact CG1-CG 4.33Å; V67-T86 PolarHBondContact N-OG1 2.83Å; V67-T86 PolarHBondContact O-N 2.88Å; V67-T86 VanDerWaalsContact O-N 3.12Å; V67-T86 PolarHBondContact O-OG1 3.12Å; V67-H114 HydrophobicContact CG2-CB 4.38Å; V67-F117 HydrophobicContact CB-CE1 4.29Å; V67-F117 HydrophobicContact CG1-CE1 4.34Å
68	E	70.3	Confident	62.8	Low	12 Å²	12	77 Å²	77	6%	0.056	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	131.8	170.8	-66.8	-178.4	-141.5	0	0	110	V56 Y83 L84 L495 L496	V56-E68 PolarHBondContact N-O 2.85Å; V56-E68 VanDerWaalsContact N-O 3.16Å; E68-Y83 WeakPolarHBondContact OE2-CE2 3.35Å; E68-Y83 PolarHBondContact OE2-OH 2.98Å; E68-L84 WeakPolarHBondContact CA-O 3.31Å; E68-L495 PolarHBondContact OE1-N 3.38Å; E68-L496 HydrophobicContact CB-CD1 4.21Å; E68-L496 HydrophobicContact CB-CG 4.45Å; E68-L496 HydrophobicContact CG-CG 4.41Å; E68-L496 WeakPolarHBondContact OE1-CG 3.17Å; E68-L496 PolarHBondContact OE1-N 3.49Å; E68-L496 WeakPolarHBondContact OE2-CD1 3.35Å; E68-L496 WeakPolarHBondContact OE2-CG 3.47Å
69	K	72.6	Confident	65	Low	32 Å²	32	77.7 Å²	77.7	14%	0.139	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	131.6	176	-69.9	177.8	179.4	170.8	0	109.2	V67 L84 F117 I133	V67-K69 HydrophobicContact CG1-CG 4.33Å; K69-L84 HydrophobicContact CB-CB 4.36Å; K69-L84 PolarHBondContact N-O 3.17Å; K69-L84 WeakPolarHBondContact O-CB 3.37Å; K69-L84 PolarHBondContact O-N 2.96Å; K69-F117 HydrophobicContact CD-CE1 3.81Å; K69-F117 HydrophobicContact CD-CE2 4.06Å; K69-F117 HydrophobicContact CD-CZ 3.56Å; K69-F117 HydrophobicContact CG-CE1 4.05Å; K69-F117 HydrophobicContact CG-CZ 4.24Å; K69-I133 HydrophobicContact CD-CD1 4.04Å; K69-I133 PolarHBondContact NZ-O 2.95Å
70	L	70.9	Confident	67.3	Low	52 Å²	52	66.1 Å²	66.1	27%	0.272	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	126.3	162.9	-171.9	151.9	0	0	0	108.1	H54 L82 I122	H54-L70 PolarHBondContact N-O 3.15Å; H54-L70 PolarHBondContact O-N 3.17Å; L70-L82 WeakPolarHBondContact CA-O 3.32Å; L70-I122 HydrophobicContact CD1-CD1 3.66Å; L70-I122 HydrophobicContact CG-CD1 4.06Å
71	L	84.2	Confident	69.5	Low	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	134.8	-171.7	-176.5	146.3	0	0	0	110.3	L51 Q52 T53 F73 L82 L84 I133 F138	L51-L71 HydrophobicContact CB-CD1 4.39Å; L51-L71 HydrophobicContact CB-CG 4.46Å; L51-L71 HydrophobicContact CD1-CD1 4.3Å; Q52-L71 CarbonylContact O-C 3.55Å; Q52-L71 WeakPolarHBondContact O-CA 3.1Å; T53-L71 HydrophobicContact CG2-CD1 4.45Å; T53-L71 WeakPolarHBondContact OG1-CD1 3.4Å; L71-F73 HydrophobicContact CD2-CD1 3.55Å; L71-F73 HydrophobicContact CD2-CE1 3.67Å; L71-L82 HydrophobicContact CD2-CD1 4.12Å; L71-L82 PolarHBondContact N-O 3.23Å; L71-L82 PolarHBondContact O-N 3.12Å; L71-L84 HydrophobicContact CB-CD1 4.38Å; L71-I133 HydrophobicContact CD1-CD1 4.08Å; L71-F138 HydrophobicContact CD1-CD2 4.2Å; L71-F138 HydrophobicContact CD1-CE2 3.59Å; L71-F138 HydrophobicContact CD1-CZ 4.29Å; L71-F138 HydrophobicContact CD2-CE2 4.16Å; L71-F138 HydrophobicContact CD2-CZ 4.03Å
72	S	82.9	Confident	71.6	Confident	16 Å²	16	60.2 Å²	60.2	11%	0.112	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	143.5	-179.3	54.4	0	0	0	0	114.9	Q52 F80	Q52-S72 WeakPolarHBondContact CB-O 3.42Å; Q52-S72 PolarHBondContact N-O 3.08Å; Q52-S72 PolarHBondContact O-N 3.05Å; S72-F80 WeakPolarHBondContact CA-O 3.43Å; S72-F80 VanDerWaalsContact CB-O 3.26Å; S72-F80 WeakPolarHBondContact CB-O 3.37Å
73	F	86.6	Confident	73.7	Confident	7 Å²	7	53.1 Å²	53.1	3%	0.031	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	161.2	-175.8	60.1	-81.8	0	0	0	110.4	L46 L51 L71 A75 F80 L82 I142 I151 I168	L46-F73 HydrophobicContact CD1-CD2 4.48Å; L51-F73 HydrophobicContact CD2-CB 3.61Å; L51-F73 HydrophobicContact CD2-CD1 3.78Å; L51-F73 HydrophobicContact CD2-CD2 4.39Å; L51-F73 HydrophobicContact CD2-CG 3.66Å; L71-F73 HydrophobicContact CD2-CD1 3.55Å; L71-F73 HydrophobicContact CD2-CE1 3.67Å; F73-A75 HydrophobicContact CD2-CB 3.97Å; F73-A75 HydrophobicContact CE2-CB 4Å; F73-F80 HydrophobicContact CD1-CB 4.14Å; F73-F80 HydrophobicContact CD2-CB 4.35Å; F73-F80 HydrophobicContact CD2-CD2 4.09Å; F73-F80 HydrophobicContact CE1-CB 3.64Å; F73-F80 HydrophobicContact CE1-CG 4.35Å; F73-F80 HydrophobicContact CE2-CB 3.87Å; F73-F80 AromaticContact CE2-CD2 3.43Å; F73-F80 HydrophobicContact CE2-CD2 3.43Å; F73-F80 VanDerWaalsContact CE2-CD2 3.43Å; F73-F80 HydrophobicContact CE2-CE2 4.22Å; F73-F80 AromaticContact CE2-CG 3.83Å; F73-F80 HydrophobicContact CE2-CG 3.83Å; F73-F80 HydrophobicContact CG-CB 4.46Å; F73-F80 HydrophobicContact CZ-CB 3.47Å; F73-F80 VanDerWaalsContact CZ-CB 3.47Å; F73-F80 AromaticContact CZ-CD2 3.79Å; F73-F80 HydrophobicContact CZ-CD2 3.79Å; F73-F80 AromaticContact CZ-CG 3.67Å; F73-F80 HydrophobicContact CZ-CG 3.67Å; F73-F80 PolarHBondContact N-O 3.09Å; F73-F80 VanDerWaalsContact N-O 3.13Å; F73-F80 PolarHBondContact O-N 2.81Å; F73-L82 HydrophobicContact CE1-CD1 3.88Å; F73-L82 HydrophobicContact CE1-CG 4.27Å; F73-L82 HydrophobicContact CZ-CD1 4.46Å; F73-I142 HydrophobicContact CZ-CD1 4.06Å; F73-I151 HydrophobicContact CE1-CD1 4.29Å; F73-I151 HydrophobicContact CE2-CD1 3.64Å; F73-I151 HydrophobicContact CZ-CD1 3.34Å; F73-I168 HydrophobicContact CD2-CD1 4.33Å; F73-I168 HydrophobicContact CE2-CD1 4.2Å
74	N	84.3	Confident	75.5	Confident	110 Å²	110	49.6 Å²	49.6	59%	0.588	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	125	174	-59.8	-66.1	0	0	0	109.4	L46 R78 N79	L46-N74 VanDerWaalsContact CD1-O 3.32Å; L46-N74 WeakPolarHBondContact CD1-O 3.47Å; N74-R78 CarbonylContact C-O 3.42Å; N74-R78 WeakPolarHBondContact CA-O 3.32Å; N74-N79 WeakPolarHBondContact OD1-CA 3.4Å; N74-N79 WeakPolarHBondContact OD1-CB 3.43Å; N74-N79 VanDerWaalsContact OD1-CG 3.23Å
75	A	86	Confident	76.9	Confident	2 Å²	2	44.7 Å²	44.7	2%	0.017	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	148	176.9	0	0	0	0	0	110.7	D44 L46 F73 Q77 R78 F80 I168	D44-A75 WeakPolarHBondContact OD2-CA 3.36Å; L46-A75 HydrophobicContact CD1-CB 4.09Å; F73-A75 HydrophobicContact CD2-CB 3.97Å; F73-A75 HydrophobicContact CE2-CB 4Å; A75-Q77 PolarHBondContact O-N 3.2Å; A75-Q77 VanDerWaalsContact O-N 3.16Å; A75-R78 PolarHBondContact N-O 2.9Å; A75-R78 PolarHBondContact O-N 3.13Å; A75-F80 HydrophobicContact CB-CE2 4.34Å; A75-I168 HydrophobicContact CB-CB 4.37Å; A75-I168 HydrophobicContact CB-CD1 3.58Å; A75-I168 HydrophobicContact CB-CG2 3.83Å
76	L	83.1	Confident	78.2	Confident	26 Å²	26	42.9 Å²	42.9	14%	0.136	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	40.3	178.8	-55.8	179.1	0	0	0	112.6	D44 R78 Y149 I168 R170	D44-L76 HydrophobicContact CB-CD2 3.99Å; D44-L76 PolarHBondContact OD2-N 3.32Å; L76-R78 PolarHBondContact O-N 2.87Å; L76-Y149 HydrophobicContact CD1-CD1 4.11Å; L76-Y149 HydrophobicContact CD1-CE1 4.39Å; L76-I168 HydrophobicContact CD1-CG2 4.08Å; L76-I168 HydrophobicContact CG-CG2 4.23Å; L76-R170 HydrophobicContact CD1-CG 3.74Å
77	Q	80.1	Confident	79.3	Confident	209 Å²	209	40.2 Å²	40.2	98%	0.977	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.9	10	-177	-50.9	-177.8	0.3	0	0	115.7	A75	A75-Q77 PolarHBondContact O-N 3.2Å; A75-Q77 VanDerWaalsContact O-N 3.16Å
78	R	81.2	Confident	79.6	Confident	37 Å²	37	40 Å²	40	14%	0.14	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	147.1	177.2	-177	165.3	165.7	-172.2	-19.8	111.2	N74 A75 L76 F80 E124 E146 Y149	N74-R78 CarbonylContact C-O 3.42Å; N74-R78 WeakPolarHBondContact CA-O 3.32Å; A75-R78 PolarHBondContact N-O 2.9Å; A75-R78 PolarHBondContact O-N 3.13Å; L76-R78 PolarHBondContact O-N 2.87Å; R78-F80 HydrophobicContact CB-CE2 4.01Å; R78-F80 HydrophobicContact CB-CZ 4.24Å; R78-F80 HydrophobicContact CG-CE1 4.46Å; R78-F80 HydrophobicContact CG-CE2 4.15Å; R78-F80 HydrophobicContact CG-CZ 4.07Å; R78-E124 IonicContact CZ-OE1 2.7Å; R78-E124 IonicContact CZ-OE2 3.33Å; R78-E124 IonicContact NH1-OE2 3.47Å; R78-E124 IonicContact NH2-OE1 3.61Å; R78-E124 PolarHBondContact NH2-OE1 3.14Å; R78-E124 IonicContact NH2-OE2 2.71Å; R78-E124 PolarHBondContact NH2-OE2 2.96Å; R78-E146 IonicContact CZ-OE2 3.16Å; R78-E146 IonicContact NH1-OE2 3.35Å; R78-E146 PolarHBondContact NH1-OE2 2.8Å; R78-Y149 PolarHBondContact NH1-OH 3.3Å
79	N	82.3	Confident	79.9	Confident	94 Å²	94	41.8 Å²	41.8	50%	0.503	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	119	172.1	-175.9	-12	0	0	0	108.6	N74	N74-N79 WeakPolarHBondContact OD1-CA 3.4Å; N74-N79 WeakPolarHBondContact OD1-CB 3.43Å; N74-N79 VanDerWaalsContact OD1-CG 3.23Å
80	F	85.6	Confident	80.4	Confident	2 Å²	2	40.6 Å²	40.6	1%	0.009	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	130.8	176.4	-68.1	-84.9	0	0	0	109.9	S72 F73 A75 R78 L82 I142 Y149	S72-F80 WeakPolarHBondContact CA-O 3.43Å; S72-F80 VanDerWaalsContact CB-O 3.26Å; S72-F80 WeakPolarHBondContact CB-O 3.37Å; F73-F80 HydrophobicContact CD1-CB 4.14Å; F73-F80 HydrophobicContact CD2-CB 4.35Å; F73-F80 HydrophobicContact CD2-CD2 4.09Å; F73-F80 HydrophobicContact CE1-CB 3.64Å; F73-F80 HydrophobicContact CE1-CG 4.35Å; F73-F80 HydrophobicContact CE2-CB 3.87Å; F73-F80 AromaticContact CE2-CD2 3.43Å; F73-F80 HydrophobicContact CE2-CD2 3.43Å; F73-F80 VanDerWaalsContact CE2-CD2 3.43Å; F73-F80 HydrophobicContact CE2-CE2 4.22Å; F73-F80 AromaticContact CE2-CG 3.83Å; F73-F80 HydrophobicContact CE2-CG 3.83Å; F73-F80 HydrophobicContact CG-CB 4.46Å; F73-F80 HydrophobicContact CZ-CB 3.47Å; F73-F80 VanDerWaalsContact CZ-CB 3.47Å; F73-F80 AromaticContact CZ-CD2 3.79Å; F73-F80 HydrophobicContact CZ-CD2 3.79Å; F73-F80 AromaticContact CZ-CG 3.67Å; F73-F80 HydrophobicContact CZ-CG 3.67Å; F73-F80 PolarHBondContact N-O 3.09Å; F73-F80 VanDerWaalsContact N-O 3.13Å; F73-F80 PolarHBondContact O-N 2.81Å; A75-F80 HydrophobicContact CB-CE2 4.34Å; R78-F80 HydrophobicContact CB-CE2 4.01Å; R78-F80 HydrophobicContact CB-CZ 4.24Å; R78-F80 HydrophobicContact CG-CE1 4.46Å; R78-F80 HydrophobicContact CG-CE2 4.15Å; R78-F80 HydrophobicContact CG-CZ 4.07Å; F80-L82 HydrophobicContact CB-CD2 4.16Å; F80-L82 HydrophobicContact CD1-CD2 4.47Å; F80-I142 HydrophobicContact CD1-CD1 4.05Å; F80-I142 HydrophobicContact CE1-CD1 4.33Å; F80-I142 HydrophobicContact CE1-CG2 4.41Å; F80-Y149 HydrophobicContact CE1-CD1 4.5Å; F80-Y149 HydrophobicContact CE1-CD2 4.03Å; F80-Y149 HydrophobicContact CE1-CE2 4.08Å; F80-Y149 HydrophobicContact CE1-CG 4.26Å; F80-Y149 AromaticContact CZ-CD1 3.73Å; F80-Y149 HydrophobicContact CZ-CD1 3.73Å; F80-Y149 HydrophobicContact CZ-CD2 4.06Å; F80-Y149 AromaticContact CZ-CE1 3.7Å; F80-Y149 HydrophobicContact CZ-CE1 3.7Å; F80-Y149 HydrophobicContact CZ-CE2 4.03Å; F80-Y149 AromaticContact CZ-CG 3.92Å; F80-Y149 HydrophobicContact CZ-CG 3.92Å; F80-Y149 AromaticContact CZ-CZ 3.86Å
81	R	79.6	Confident	80.9	Confident	122 Å²	122	38.1 Å²	38.1	46%	0.46	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	104.7	171.1	-66	-179.6	64	-148.2	-4.2	107.7	I122	R81-I122 HydrophobicContact CB-CB 4.25Å; R81-I122 HydrophobicContact CB-CD1 4.34Å; R81-I122 WeakPolarHBondContact O-CG1 3.49Å; R81-I122 PolarHBondContact O-N 2.75Å
82	L	83.6	Confident	80.8	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	136.1	-173	-46.1	-174.7	0	0	0	109.9	L70 L71 F73 F80 L84 H120 V121 V129 I142	L70-L82 WeakPolarHBondContact CA-O 3.32Å; L71-L82 HydrophobicContact CD2-CD1 4.12Å; L71-L82 PolarHBondContact N-O 3.23Å; L71-L82 PolarHBondContact O-N 3.12Å; F73-L82 HydrophobicContact CE1-CD1 3.88Å; F73-L82 HydrophobicContact CE1-CG 4.27Å; F73-L82 HydrophobicContact CZ-CD1 4.46Å; F80-L82 HydrophobicContact CB-CD2 4.16Å; F80-L82 HydrophobicContact CD1-CD2 4.47Å; L82-L84 HydrophobicContact CB-CD1 4.48Å; L82-L84 HydrophobicContact CB-CD2 4.17Å; L82-L84 HydrophobicContact CB-CG 4.16Å; L82-H120 WeakPolarHBondContact CA-O 3.5Å; L82-V121 HydrophobicContact CD2-CB 4.43Å; L82-V121 HydrophobicContact CD2-CG1 4.42Å; L82-V121 HydrophobicContact CD2-CG2 3.84Å; L82-V129 HydrophobicContact CD1-CG1 4.23Å; L82-V129 HydrophobicContact CD2-CG2 4.05Å; L82-I142 HydrophobicContact CD1-CD1 3.94Å; L82-I142 HydrophobicContact CD1-CG1 4.47Å; L82-I142 HydrophobicContact CD2-CD1 4.11Å
83	Y	78.3	Confident	80.3	Confident	37 Å²	37	45.5 Å²	45.5	15%	0.145	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122.3	166.7	175.5	-99.6	0	0	0	108.7	E68 G119 H120 S483	E68-Y83 WeakPolarHBondContact OE2-CE2 3.35Å; E68-Y83 PolarHBondContact OE2-OH 2.98Å; Y83-G119 WeakPolarHBondContact O-CA 3.39Å; Y83-H120 AromaticContact CD1-CE1 3.42Å; Y83-H120 VanDerWaalsContact CD1-CE1 3.42Å; Y83-H120 WeakPolarHBondContact CD1-CE1 3.44Å; Y83-H120 AromaticContact CD1-ND1 3.98Å; Y83-H120 PolarHBondContact N-O 3.06Å; Y83-H120 PolarHBondContact O-N 3.17Å; Y83-H120 VanDerWaalsContact O-N 3.12Å; Y83-S483 PolarHBondContact OH-OG 3.49Å
84	L	81.6	Confident	79.8	Confident	0 Å²	0	49 Å²	49	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	130.2	-167.5	-58.1	178.4	0	0	0	111.1	E68 K69 L71 L82 F117 V129 A131 I133	E68-L84 WeakPolarHBondContact CA-O 3.31Å; K69-L84 HydrophobicContact CB-CB 4.36Å; K69-L84 PolarHBondContact N-O 3.17Å; K69-L84 WeakPolarHBondContact O-CB 3.37Å; K69-L84 PolarHBondContact O-N 2.96Å; L71-L84 HydrophobicContact CB-CD1 4.38Å; L82-L84 HydrophobicContact CB-CD1 4.48Å; L82-L84 HydrophobicContact CB-CD2 4.17Å; L82-L84 HydrophobicContact CB-CG 4.16Å; L84-F117 HydrophobicContact CB-CB 4.09Å; L84-F117 HydrophobicContact CB-CD1 4.02Å; L84-F117 HydrophobicContact CB-CG 4.29Å; L84-V129 HydrophobicContact CD2-CB 3.97Å; L84-V129 HydrophobicContact CD2-CG1 3.65Å; L84-A131 HydrophobicContact CD1-CB 4.32Å; L84-I133 HydrophobicContact CD1-CD1 3.57Å
85	R	72.3	Confident	79.8	Confident	39 Å²	39	45.5 Å²	45.5	15%	0.147	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	148	173.7	77.1	-171.5	-165.4	-170.1	12.2	110	N87 E89 F117 T118 N482 E486	R85-N87 PolarHBondContact O-N 3.06Å; R85-E89 IonicContact NH2-OE1 2.95Å; R85-E89 PolarHBondContact NH2-OE1 3.25Å; R85-F117 CarbonylContact O-C 3.59Å; R85-F117 WeakPolarHBondContact O-CA 3.46Å; R85-T118 HydrophobicContact CG-CG2 3.71Å; R85-T118 PolarHBondContact N-O 3.31Å; R85-T118 PolarHBondContact O-N 3.2Å; R85-N482 WeakPolarHBondContact CD-O 3.38Å; R85-N482 VanDerWaalsContact CZ-CG 3.5Å; R85-N482 PolarHBondContact NH1-O 2.87Å; R85-N482 PolarHBondContact NH1-OD1 3.29Å; R85-E486 IonicContact NH2-OE1 3.23Å; R85-E486 PolarHBondContact NH2-OE1 3.35Å
86	T	75.6	Confident	79.6	Confident	7 Å²	7	49.3 Å²	49.3	4%	0.043	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.3	127.9	174.3	-59.7	0	0	0	0	111.7	V67 N88 Y116	V67-T86 PolarHBondContact N-OG1 2.83Å; V67-T86 PolarHBondContact O-N 2.88Å; V67-T86 VanDerWaalsContact O-N 3.12Å; V67-T86 PolarHBondContact O-OG1 3.12Å; T86-N88 PolarHBondContact O-N 2.92Å; T86-Y116 CarbonylContact C-O 3.53Å; T86-Y116 VanDerWaalsContact CA-O 3.3Å; T86-Y116 WeakPolarHBondContact CA-O 3.36Å
87	N	79.3	Confident	79.7	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.016	22%	0.221	C	C	.	.			trans	-87.1	95.8	175.4	-175.1	-6.8	0	0	0	109.7	R85 E89 I90 Y116 T118 D259	R85-N87 PolarHBondContact O-N 3.06Å; N87-E89 VanDerWaalsContact C-N 3.32Å; N87-E89 WeakPolarHBondContact OD1-CB 3.44Å; N87-E89 PolarHBondContact OD1-N 2.94Å; N87-I90 HydrophobicContact CB-CD1 4.08Å; N87-I90 WeakPolarHBondContact ND2-CG1 3.43Å; N87-Y116 PolarHBondContact N-O 3.2Å; N87-T118 HydrophobicContact CB-CG2 4.17Å; N87-D259 PolarHBondContact ND2-OD1 3.01Å; N87-D259 PolarHBondContact ND2-OD2 3.23Å
88	N	71.4	Confident	80.1	Confident	33 Å²	33	39 Å²	39	18%	0.176	18%	0.179	C	C	.	.			trans	-84.3	-5.7	178.2	-82.2	-41.8	0	0	0	113.6	A65 H66 T86 R113	A65-N88 PolarHBondContact O-ND2 2.73Å; A65-N88 VanDerWaalsContact O-ND2 3.07Å; H66-N88 PolarHBondContact CD2-ND2 2.91Å; H66-N88 VanDerWaalsContact CD2-ND2 3.33Å; H66-N88 PolarHBondContact NE2-ND2 2.65Å; T86-N88 PolarHBondContact O-N 2.92Å; N88-R113 PolarHBondContact O-NH2 2.84Å
89	E	77.1	Confident	80.4	Confident	49 Å²	49	37.2 Å²	37.2	23%	0.229	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-20.4	-166.8	-53	169.2	-149.1	0	0	113.5	R85 N87 F91 Q280 R475	R85-E89 IonicContact NH2-OE1 2.95Å; R85-E89 PolarHBondContact NH2-OE1 3.25Å; N87-E89 VanDerWaalsContact C-N 3.32Å; N87-E89 WeakPolarHBondContact OD1-CB 3.44Å; N87-E89 PolarHBondContact OD1-N 2.94Å; E89-F91 VanDerWaalsContact C-N 3.3Å; E89-F91 PolarHBondContact O-N 2.91Å; E89-Q280 PolarHBondContact O-NE2 2.86Å; E89-R475 IonicContact OE2-CZ 3.33Å; E89-R475 IonicContact OE2-NH1 3.38Å; E89-R475 PolarHBondContact OE2-NH1 3.41Å; E89-R475 IonicContact OE2-NH2 3.07Å; E89-R475 PolarHBondContact OE2-NH2 3.07Å
90	I	82.3	Confident	80.7	Confident	7 Å²	7	33.8 Å²	33.8	4%	0.036	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-35	-178	-69.7	168.6	0	0	0	114.1	N87 Y116 I255 D259 Q280 I281	N87-I90 HydrophobicContact CB-CD1 4.08Å; N87-I90 WeakPolarHBondContact ND2-CG1 3.43Å; I90-Y116 HydrophobicContact CD1-CD1 4.04Å; I90-Y116 HydrophobicContact CD1-CG 4.02Å; I90-I255 HydrophobicContact CD1-CG2 4.11Å; I90-I255 HydrophobicContact CG2-CG2 3.58Å; I90-D259 HydrophobicContact CD1-CB 4.18Å; I90-D259 HydrophobicContact CG1-CB 4.09Å; I90-D259 WeakPolarHBondContact CG1-OD1 3.26Å; I90-Q280 WeakPolarHBondContact O-CG 3.43Å; I90-I281 HydrophobicContact CG2-CD1 3.83Å; I90-I281 HydrophobicContact CG2-CG1 4.37Å; I90-I281 PolarHBondContact O-N 2.84Å
91	F	81.6	Confident	80.5	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	140.6	-163.6	-47.5	-85.7	0	0	0	111.8	E89 F95 V111 R113 Y116 I255 Q280	E89-F91 VanDerWaalsContact C-N 3.3Å; E89-F91 PolarHBondContact O-N 2.91Å; F91-F95 HydrophobicContact CB-CB 3.88Å; F91-F95 HydrophobicContact CB-CD1 4.43Å; F91-F95 HydrophobicContact CB-CD2 4.39Å; F91-F95 HydrophobicContact CB-CG 3.96Å; F91-F95 AromaticContact CD1-CD1 3.77Å; F91-F95 HydrophobicContact CD1-CD1 3.77Å; F91-F95 AromaticContact CD1-CD2 3.7Å; F91-F95 HydrophobicContact CD1-CD2 3.7Å; F91-F95 AromaticContact CD1-CE1 3.83Å; F91-F95 HydrophobicContact CD1-CE1 3.83Å; F91-F95 AromaticContact CD1-CE2 3.75Å; F91-F95 HydrophobicContact CD1-CE2 3.75Å; F91-F95 AromaticContact CD1-CG 3.71Å; F91-F95 HydrophobicContact CD1-CG 3.71Å; F91-F95 AromaticContact CD1-CZ 3.81Å; F91-F95 HydrophobicContact CD1-CZ 3.81Å; F91-F95 HydrophobicContact CE1-CD1 4.36Å; F91-F95 AromaticContact CE1-CE1 3.98Å; F91-F95 HydrophobicContact CE1-CE1 3.98Å; F91-F95 HydrophobicContact CE1-CE2 4.16Å; F91-F95 AromaticContact CE1-CZ 3.86Å; F91-F95 HydrophobicContact CE1-CZ 3.86Å; F91-F95 HydrophobicContact CG-CD1 4.34Å; F91-F95 HydrophobicContact CG-CG 4.22Å; F91-V111 HydrophobicContact CE1-CG1 4.48Å; F91-V111 HydrophobicContact CZ-CG1 4.32Å; F91-R113 HydrophobicContact CD2-CG 3.93Å; F91-R113 HydrophobicContact CE2-CB 4.31Å; F91-R113 HydrophobicContact CE2-CG 3.9Å; F91-R113 PolarHBondContact O-NH2 2.85Å; F91-Y116 HydrophobicContact CE2-CD2 4.21Å; F91-Y116 AromaticContact CZ-CD2 3.99Å; F91-Y116 HydrophobicContact CZ-CD2 3.99Å; F91-Y116 HydrophobicContact CZ-CE2 4.06Å; F91-Y116 HydrophobicContact CZ-CG 4.49Å; F91-I255 HydrophobicContact CE1-CD1 3.66Å; F91-I255 HydrophobicContact CE1-CG1 4Å; F91-I255 HydrophobicContact CE1-CG2 4.13Å; F91-I255 HydrophobicContact CZ-CD1 3.96Å; F91-I255 HydrophobicContact CZ-CG1 4.45Å; F91-I255 HydrophobicContact CZ-CG2 3.91Å; F91-Q280 PolarHBondContact O-NE2 3.26Å
92	T	81.4	Confident	80.4	Confident	5 Å²	5	36.5 Å²	36.5	3%	0.031	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	169.2	168.7	67	0	0	0	0	111.6	D94 F95 R113 P229 Q280 I281 Q282	T92-D94 VanDerWaalsContact C-N 3.29Å; T92-D94 VanDerWaalsContact CB-OD1 3.23Å; T92-D94 WeakPolarHBondContact CB-OD1 3.13Å; T92-D94 PolarHBondContact OG1-OD1 3.23Å; T92-F95 WeakPolarHBondContact O-CB 3.46Å; T92-F95 PolarHBondContact OG1-N 3.02Å; T92-R113 PolarHBondContact O-NH1 2.83Å; T92-P229 HydrophobicContact CG2-CB 4.37Å; T92-Q280 HydrophobicContact CG2-CG 4.21Å; T92-I281 PolarHBondContact N-O 2.7Å; T92-I281 VanDerWaalsContact N-O 3.09Å; T92-Q282 HydrophobicContact CG2-CB 3.86Å; T92-Q282 HydrophobicContact CG2-CG 4.17Å
93	E	73.4	Confident	80	Confident	167 Å²	167	42.9 Å²	42.9	78%	0.78	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64	-36.1	171.8	-59.9	-168.5	133.3	0	0	112.1	F95 N476	E93-F95 VanDerWaalsContact C-N 3.32Å; E93-F95 PolarHBondContact O-N 2.97Å; E93-N476 VanDerWaalsContact CG-ND2 3.35Å; E93-N476 WeakPolarHBondContact CG-ND2 3.29Å
94	D	75.8	Confident	79.8	Confident	79 Å²	79	43.1 Å²	43.1	42%	0.422	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	19.2	-177.7	70.9	-44.8	0	0	0	113.9	T92 Q282	T92-D94 VanDerWaalsContact C-N 3.29Å; T92-D94 VanDerWaalsContact CB-OD1 3.23Å; T92-D94 WeakPolarHBondContact CB-OD1 3.13Å; T92-D94 PolarHBondContact OG1-OD1 3.23Å; D94-Q282 PolarHBondContact OD2-NE2 3.16Å
95	F	84.3	Confident	79.8	Confident	38 Å²	38	49 Å²	49	17%	0.167	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	137.2	-174.6	169	-97.7	0	0	0	113.6	F91 T92 E93 A97 V111 I281 Q282 I284	F91-F95 HydrophobicContact CB-CB 3.88Å; F91-F95 HydrophobicContact CB-CD1 4.43Å; F91-F95 HydrophobicContact CB-CD2 4.39Å; F91-F95 HydrophobicContact CB-CG 3.96Å; F91-F95 AromaticContact CD1-CD1 3.77Å; F91-F95 HydrophobicContact CD1-CD1 3.77Å; F91-F95 AromaticContact CD1-CD2 3.7Å; F91-F95 HydrophobicContact CD1-CD2 3.7Å; F91-F95 AromaticContact CD1-CE1 3.83Å; F91-F95 HydrophobicContact CD1-CE1 3.83Å; F91-F95 AromaticContact CD1-CE2 3.75Å; F91-F95 HydrophobicContact CD1-CE2 3.75Å; F91-F95 AromaticContact CD1-CG 3.71Å; F91-F95 HydrophobicContact CD1-CG 3.71Å; F91-F95 AromaticContact CD1-CZ 3.81Å; F91-F95 HydrophobicContact CD1-CZ 3.81Å; F91-F95 HydrophobicContact CE1-CD1 4.36Å; F91-F95 AromaticContact CE1-CE1 3.98Å; F91-F95 HydrophobicContact CE1-CE1 3.98Å; F91-F95 HydrophobicContact CE1-CE2 4.16Å; F91-F95 AromaticContact CE1-CZ 3.86Å; F91-F95 HydrophobicContact CE1-CZ 3.86Å; F91-F95 HydrophobicContact CG-CD1 4.34Å; F91-F95 HydrophobicContact CG-CG 4.22Å; T92-F95 WeakPolarHBondContact O-CB 3.46Å; T92-F95 PolarHBondContact OG1-N 3.02Å; E93-F95 VanDerWaalsContact C-N 3.32Å; E93-F95 PolarHBondContact O-N 2.97Å; F95-A97 HydrophobicContact CZ-CB 4.11Å; F95-V111 HydrophobicContact CE1-CB 4Å; F95-V111 HydrophobicContact CE1-CG2 3.81Å; F95-V111 HydrophobicContact CZ-CG2 4.02Å; F95-I281 HydrophobicContact CD2-CB 4.38Å; F95-I281 HydrophobicContact CD2-CG2 3.99Å; F95-I281 HydrophobicContact CE2-CB 4.35Å; F95-I281 HydrophobicContact CE2-CG2 3.65Å; F95-Q282 WeakPolarHBondContact CA-O 3.37Å; F95-I284 HydrophobicContact CE2-CD1 4.13Å; F95-I284 HydrophobicContact CE2-CG1 4.13Å; F95-I284 HydrophobicContact CZ-CD1 4.14Å; F95-I284 HydrophobicContact CZ-CG1 4.49Å
96	K	81.6	Confident	80.3	Confident	81 Å²	81	53.6 Å²	53.6	35%	0.352	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	127	179.6	37.7	167.3	166	159.1	0	111.7	Q282 Q283 I284	K96-Q282 PolarHBondContact N-O 2.93Å; K96-Q283 HydrophobicContact CD-CB 4.44Å; K96-Q283 HydrophobicContact CD-CG 4.14Å; K96-Q283 VanDerWaalsContact CE-OE1 3.26Å; K96-Q283 HydrophobicContact CG-CB 4.13Å; K96-Q283 HydrophobicContact CG-CG 4.07Å; K96-Q283 VanDerWaalsContact O-CA 3.29Å; K96-Q283 WeakPolarHBondContact O-CA 3.43Å; K96-I284 PolarHBondContact O-N 2.95Å
97	A	85.4	Confident	80.7	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.008	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	133.7	161.7	0	0	0	0	0	109.6	F95 F109 V111 I251 I284	F95-A97 HydrophobicContact CZ-CB 4.11Å; A97-F109 HydrophobicContact CB-CB 4.17Å; A97-F109 PolarHBondContact O-N 3.34Å; A97-V111 HydrophobicContact CB-CG2 3.66Å; A97-I251 HydrophobicContact CB-CD1 4.01Å; A97-I284 HydrophobicContact CB-CB 4.29Å
98	V	87.9	Confident	80.7	Confident	17 Å²	17	63 Å²	63	10%	0.103	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	136.9	-178.4	-178.7	0	0	0	0	109.2	R106 R107 I284 I285 I286	V98-R106 HydrophobicContact CG1-CB 3.72Å; V98-R106 HydrophobicContact CG1-CG 3.93Å; V98-R107 WeakPolarHBondContact CA-O 3.33Å; V98-I284 PolarHBondContact N-O 3.23Å; V98-I285 CarbonylContact O-C 3.59Å; V98-I285 VanDerWaalsContact O-CA 3.31Å; V98-I285 WeakPolarHBondContact O-CA 3.37Å; V98-I286 PolarHBondContact O-N 3.28Å
99	V	88.1	Confident	80.9	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.006	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.1	177.5	172.9	0	0	0	0	108.2	R106 R107 F109 E247 I286 K288	V99-R106 CarbonylContact O-C 3.51Å; V99-R106 WeakPolarHBondContact O-CA 3.34Å; V99-R107 PolarHBondContact N-O 3.46Å; V99-R107 PolarHBondContact O-N 3.43Å; V99-F109 HydrophobicContact CG2-CB 4.01Å; V99-F109 HydrophobicContact CG2-CD2 4.29Å; V99-E247 HydrophobicContact CG1-CG 4.29Å; V99-E247 HydrophobicContact CG2-CG 4.36Å; V99-I286 HydrophobicContact CG2-CB 4.47Å; V99-K288 HydrophobicContact CG1-CD 3.21Å; V99-K288 HydrophobicContact CG1-CG 3.87Å
100	E	88.8	Confident	80.6	Confident	21 Å²	21	66.5 Å²	66.5	10%	0.098	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	118.7	-178.4	-159.8	164.8	126.8	0	0	109.5	Q105 R106 I286 Q287 K288	E100-Q105 WeakPolarHBondContact CA-O 3.41Å; E100-R106 HydrophobicContact CG-CG 4.11Å; E100-R106 IonicContact OE1-NH2 2.71Å; E100-R106 IonicContact OE2-CZ 3.52Å; E100-R106 IonicContact OE2-NE 2.73Å; E100-R106 PolarHBondContact OE2-NE 2.79Å; E100-R106 IonicContact OE2-NH2 2.67Å; E100-R106 PolarHBondContact OE2-NH2 2.91Å; E100-I286 PolarHBondContact N-O 3.33Å; E100-Q287 PolarHBondContact OE1-NE2 2.99Å; E100-Q287 PolarHBondContact OE1-OE1 3.44Å; E100-Q287 PolarHBondContact OE2-NE2 2.91Å; E100-K288 WeakPolarHBondContact O-CB 3.37Å; E100-K288 PolarHBondContact O-N 3.43Å; E100-K288 VanDerWaalsContact O-N 3.1Å
101	D	81.6	Confident	80.3	Confident	32 Å²	32	67.3 Å²	67.3	17%	0.171	35%	0.345	C	S	.	.			trans	-91.5	178.1	179.5	-66.5	-67.4	0	0	0	112.2	D103 G104 Q105 R107 K288	D101-D103 VanDerWaalsContact C-N 3.27Å; D101-D103 PolarHBondContact O-N 3.16Å; D101-G104 WeakPolarHBondContact O-CA 3.46Å; D101-G104 PolarHBondContact O-N 3.24Å; D101-Q105 PolarHBondContact N-O 3.21Å; D101-Q105 VanDerWaalsContact N-O 3.12Å; D101-R107 VanDerWaalsContact CG-NH2 3.33Å; D101-R107 IonicContact OD1-NH2 3.58Å; D101-R107 PolarHBondContact OD1-NH2 3.4Å; D101-R107 IonicContact OD2-CZ 3.91Å; D101-R107 IonicContact OD2-NE 2.79Å; D101-R107 PolarHBondContact OD2-NE 3.11Å; D101-R107 IonicContact OD2-NH2 3.95Å; D101-R107 PolarHBondContact OD2-NH2 2.91Å; D101-K288 WeakPolarHBondContact OD1-CD 3.22Å; D101-K288 VanDerWaalsContact OD1-CE 3.31Å; D101-K288 WeakPolarHBondContact OD1-CE 3.46Å; D101-K288 IonicContact OD1-NZ 3.55Å; D101-K288 PolarHBondContact OD1-NZ 2.86Å
102	E	78.5	Confident	79.9	Confident	150 Å²	150	71 Å²	71	70%	0.701	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-35	-173.1	-160.9	163.8	-152.6	0	0	113.9	G104 Y289	E102-G104 PolarHBondContact O-N 2.7Å; E102-Y289 HydrophobicContact CB-CD1 4.43Å; E102-Y289 HydrophobicContact CB-CD2 3.74Å; E102-Y289 HydrophobicContact CB-CE2 4.07Å; E102-Y289 HydrophobicContact CB-CG 3.92Å; E102-Y289 HydrophobicContact CG-CD1 4.41Å; E102-Y289 HydrophobicContact CG-CD2 4.49Å; E102-Y289 HydrophobicContact CG-CG 4.18Å; E102-Y289 VanDerWaalsContact N-CD2 3.29Å
103	D	73.4	Confident	79.6	Confident	133 Å²	133	73.8 Å²	73.8	71%	0.711	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	2.4	174.7	-64	-40	0	0	0	114.4	D101 Q105	D101-D103 VanDerWaalsContact C-N 3.27Å; D101-D103 PolarHBondContact O-N 3.16Å; D103-Q105 HydrophobicContact CB-CB 4.46Å; D103-Q105 HydrophobicContact CB-CG 3.91Å; D103-Q105 PolarHBondContact O-N 3.29Å; D103-Q105 PolarHBondContact OD2-NE2 3.33Å; D103-Q105 VanDerWaalsContact OD2-NE2 3.13Å
104	G	74.4	Confident	79.6	Confident	42 Å²	42	68.7 Å²	68.7	43%	0.433	35%	0.351	S	S	.	.	S	Bend	trans	70.2	9.3	-167.9	0	0	0	0	0	114	D101 E102 R106	D101-G104 WeakPolarHBondContact O-CA 3.46Å; D101-G104 PolarHBondContact O-N 3.24Å; E102-G104 PolarHBondContact O-N 2.7Å; G104-R106 PolarHBondContact O-N 3.34Å
105	Q	80.8	Confident	79.9	Confident	123 Å²	123	66 Å²	66	58%	0.575	34%	0.336	S	S	*	.			trans	-73.8	126.5	179.5	-72.3	-170.9	68.8	0	0	111.2	E100 D101 D103	E100-Q105 WeakPolarHBondContact CA-O 3.41Å; D101-Q105 PolarHBondContact N-O 3.21Å; D101-Q105 VanDerWaalsContact N-O 3.12Å; D103-Q105 HydrophobicContact CB-CB 4.46Å; D103-Q105 HydrophobicContact CB-CG 3.91Å; D103-Q105 PolarHBondContact O-N 3.29Å; D103-Q105 PolarHBondContact OD2-NE2 3.33Å; D103-Q105 VanDerWaalsContact OD2-NE2 3.13Å
106	R	84.4	Confident	80	Confident	136 Å²	136	64.4 Å²	64.4	51%	0.513	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	111.8	179.7	-72.7	178.8	172.9	173.1	0.9	111.4	V98 V99 E100 G104	V98-R106 HydrophobicContact CG1-CB 3.72Å; V98-R106 HydrophobicContact CG1-CG 3.93Å; V99-R106 CarbonylContact O-C 3.51Å; V99-R106 WeakPolarHBondContact O-CA 3.34Å; E100-R106 HydrophobicContact CG-CG 4.11Å; E100-R106 IonicContact OE1-NH2 2.71Å; E100-R106 IonicContact OE2-CZ 3.52Å; E100-R106 IonicContact OE2-NE 2.73Å; E100-R106 PolarHBondContact OE2-NE 2.79Å; E100-R106 IonicContact OE2-NH2 2.67Å; E100-R106 PolarHBondContact OE2-NH2 2.91Å; G104-R106 PolarHBondContact O-N 3.34Å
107	R	83.6	Confident	80.1	Confident	109 Å²	109	60.6 Å²	60.6	41%	0.411	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	141.7	171.4	-67.5	-172.9	-70	112.2	8.4	110.6	V98 V99 D101 E247	V98-R107 WeakPolarHBondContact CA-O 3.33Å; V99-R107 PolarHBondContact N-O 3.46Å; V99-R107 PolarHBondContact O-N 3.43Å; D101-R107 VanDerWaalsContact CG-NH2 3.33Å; D101-R107 IonicContact OD1-NH2 3.58Å; D101-R107 PolarHBondContact OD1-NH2 3.4Å; D101-R107 IonicContact OD2-CZ 3.91Å; D101-R107 IonicContact OD2-NE 2.79Å; D101-R107 PolarHBondContact OD2-NE 3.11Å; D101-R107 IonicContact OD2-NH2 3.95Å; D101-R107 PolarHBondContact OD2-NH2 2.91Å; R107-E247 IonicContact NH1-OE2 3.29Å; R107-E247 IonicContact NH2-OE1 3.92Å; R107-E247 PolarHBondContact NH2-OE1 2.83Å
108	S	78.7	Confident	80.2	Confident	99 Å²	99	61.3 Å²	61.3	69%	0.692	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	134.5	171.6	-172.2	0	0	0	0	110.2
109	F	75.1	Confident	79.9	Confident	42 Å²	42	61.2 Å²	61.2	18%	0.184	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	123.2	176.3	-172.6	-79.8	0	0	0	110.5	A97 V99 V111 E247 I251	A97-F109 HydrophobicContact CB-CB 4.17Å; A97-F109 PolarHBondContact O-N 3.34Å; V99-F109 HydrophobicContact CG2-CB 4.01Å; V99-F109 HydrophobicContact CG2-CD2 4.29Å; F109-V111 HydrophobicContact CD1-CG2 4.08Å; F109-V111 PolarHBondContact O-N 3.39Å; F109-E247 HydrophobicContact CD2-CB 3.94Å; F109-E247 HydrophobicContact CE2-CB 3.61Å; F109-E247 HydrophobicContact CZ-CB 4.48Å; F109-I251 HydrophobicContact CB-CD1 3.87Å; F109-I251 HydrophobicContact CD1-CD1 3.26Å; F109-I251 HydrophobicContact CD2-CD1 4.04Å; F109-I251 HydrophobicContact CE1-CD1 3.72Å; F109-I251 HydrophobicContact CE2-CD1 4.43Å; F109-I251 HydrophobicContact CG-CD1 3.44Å; F109-I251 VanDerWaalsContact CG-CD1 3.44Å; F109-I251 HydrophobicContact CZ-CD1 4.29Å
110	P	72.6	Confident	79.4	Confident	113 Å²	113	64.8 Å²	64.8	73%	0.734	34%	0.336	S	S	*	.			trans	-79.1	101.5	-179.7	31.4	-33.1	0	0	0	111.5
111	V	75.9	Confident	79	Confident	25 Å²	25	64 Å²	64	15%	0.152	33%	0.332	C	S	.	.			trans	-79.3	125.3	175.1	-174.7	0	0	0	0	110.6	F91 F95 A97 F109 R113 Y116 I251 I255	F91-V111 HydrophobicContact CE1-CG1 4.48Å; F91-V111 HydrophobicContact CZ-CG1 4.32Å; F95-V111 HydrophobicContact CE1-CB 4Å; F95-V111 HydrophobicContact CE1-CG2 3.81Å; F95-V111 HydrophobicContact CZ-CG2 4.02Å; A97-V111 HydrophobicContact CB-CG2 3.66Å; F109-V111 HydrophobicContact CD1-CG2 4.08Å; F109-V111 PolarHBondContact O-N 3.39Å; V111-R113 PolarHBondContact O-N 3.35Å; V111-R113 VanDerWaalsContact O-N 3.12Å; V111-Y116 HydrophobicContact CG1-CE2 3.98Å; V111-I251 HydrophobicContact CG1-CG2 4.44Å; V111-I251 HydrophobicContact CG2-CG2 3.74Å; V111-I255 HydrophobicContact CG1-CD1 3.92Å
112	N	71.8	Confident	78.6	Confident	76 Å²	76	65.2 Å²	65.2	41%	0.406	34%	0.338	S	S	.	.			trans	-78.3	95.4	174.3	-172.5	14	0	0	0	111.1	H114 N115	N112-H114 PolarHBondContact O-N 2.99Å; N112-H114 PolarHBondContact OD1-N 2.89Å; N112-H114 PolarHBondContact OD1-ND1 3.35Å; N112-N115 PolarHBondContact ND2-OD1 3.24Å; N112-N115 PolarHBondContact O-N 2.74Å
113	R	76.4	Confident	77.8	Confident	65 Å²	65	61.8 Å²	61.8	25%	0.245	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-52.9	-28.4	177.2	-65.8	176.3	73.2	133.8	3.2	112.9	N88 F91 T92 V111 N115 Y116	N88-R113 PolarHBondContact O-NH2 2.84Å; F91-R113 HydrophobicContact CD2-CG 3.93Å; F91-R113 HydrophobicContact CE2-CB 4.31Å; F91-R113 HydrophobicContact CE2-CG 3.9Å; F91-R113 PolarHBondContact O-NH2 2.85Å; T92-R113 PolarHBondContact O-NH1 2.83Å; V111-R113 PolarHBondContact O-N 3.35Å; V111-R113 VanDerWaalsContact O-N 3.12Å; R113-N115 VanDerWaalsContact C-N 3.25Å; R113-N115 PolarHBondContact O-N 2.87Å; R113-Y116 PolarHBondContact O-N 3.25Å
114	H	72.8	Confident	77.8	Confident	60 Å²	60	58.2 Å²	58.2	28%	0.278	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-74.2	-7.3	-179	-43.3	96	0	0	0	114.8	E64 A65 V67 N112 Y116 F117	E64-H114 PolarHBondContact O-CD2 3.43Å; E64-H114 PolarHBondContact O-NE2 2.71Å; A65-H114 WeakPolarHBondContact CA-NE2 3.46Å; V67-H114 HydrophobicContact CG2-CB 4.38Å; N112-H114 PolarHBondContact O-N 2.99Å; N112-H114 PolarHBondContact OD1-N 2.89Å; N112-H114 PolarHBondContact OD1-ND1 3.35Å; H114-Y116 VanDerWaalsContact C-N 3.33Å; H114-F117 VanDerWaalsContact O-CE2 3.26Å; H114-F117 WeakPolarHBondContact O-CE2 3.45Å; H114-F117 WeakPolarHBondContact O-CZ 3.18Å
115	N	82.1	Confident	76.7	Confident	21 Å²	21	61.2 Å²	61.2	11%	0.112	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-82.4	-11.8	174.2	-73.6	5.8	0	0	0	112.8	N112 R113 F117 H132 I133 D134	N112-N115 PolarHBondContact ND2-OD1 3.24Å; N112-N115 PolarHBondContact O-N 2.74Å; R113-N115 VanDerWaalsContact C-N 3.25Å; R113-N115 PolarHBondContact O-N 2.87Å; N115-F117 VanDerWaalsContact C-CE2 3.47Å; N115-F117 VanDerWaalsContact O-CD2 3.23Å; N115-F117 WeakPolarHBondContact O-CD2 3.24Å; N115-F117 VanDerWaalsContact O-CE2 3.27Å; N115-F117 WeakPolarHBondContact O-CE2 3.42Å; N115-H132 WeakPolarHBondContact O-CA 3.22Å; N115-H132 PolarHBondContact O-CD2 2.68Å; N115-I133 PolarHBondContact O-N 2.64Å; N115-D134 PolarHBondContact ND2-OD1 3.16Å; N115-D134 PolarHBondContact ND2-OD2 2.79Å
116	Y	85.7	Confident	76.1	Confident	6 Å²	6	60 Å²	60	2%	0.024	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	135.8	180	-60.9	-87.4	0	0	0	110.5	T86 N87 I90 F91 V111 R113 H114 H132 N252 I255	T86-Y116 CarbonylContact C-O 3.53Å; T86-Y116 VanDerWaalsContact CA-O 3.3Å; T86-Y116 WeakPolarHBondContact CA-O 3.36Å; N87-Y116 PolarHBondContact N-O 3.2Å; I90-Y116 HydrophobicContact CD1-CD1 4.04Å; I90-Y116 HydrophobicContact CD1-CG 4.02Å; F91-Y116 HydrophobicContact CE2-CD2 4.21Å; F91-Y116 AromaticContact CZ-CD2 3.99Å; F91-Y116 HydrophobicContact CZ-CD2 3.99Å; F91-Y116 HydrophobicContact CZ-CE2 4.06Å; F91-Y116 HydrophobicContact CZ-CG 4.49Å; V111-Y116 HydrophobicContact CG1-CE2 3.98Å; R113-Y116 PolarHBondContact O-N 3.25Å; H114-Y116 VanDerWaalsContact C-N 3.33Å; Y116-H132 HydrophobicContact CD1-CB 4.14Å; Y116-H132 AromaticContact CD1-CD2 3.98Å; Y116-H132 HydrophobicContact CE1-CB 4.16Å; Y116-H132 AromaticContact CE1-CD2 3.62Å; Y116-H132 AromaticContact CE1-CG 3.97Å; Y116-H132 AromaticContact CZ-CD2 3.7Å; Y116-N252 WeakPolarHBondContact OH-CA 3.27Å; Y116-N252 PolarHBondContact OH-OD1 2.68Å; Y116-I255 HydrophobicContact CD1-CG2 3.62Å; Y116-I255 HydrophobicContact CE1-CB 3.73Å; Y116-I255 HydrophobicContact CE1-CD1 4.38Å; Y116-I255 HydrophobicContact CE1-CG2 3.25Å; Y116-I255 HydrophobicContact CE2-CD1 4.33Å; Y116-I255 HydrophobicContact CE2-CG2 4.48Å; Y116-I255 HydrophobicContact CG-CG2 4.37Å; Y116-I255 VanDerWaalsContact OH-CD1 3.3Å; Y116-I255 WeakPolarHBondContact OH-CD1 3.29Å
117	F	84.5	Confident	75.7	Confident	1 Å²	1	54 Å²	54	0%	0.004	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	144.8	-172.8	-63.4	-92.4	0	0	0	112.1	V67 K69 L84 R85 H114 N115 A131 I133	V67-F117 HydrophobicContact CB-CE1 4.29Å; V67-F117 HydrophobicContact CG1-CE1 4.34Å; K69-F117 HydrophobicContact CD-CE1 3.81Å; K69-F117 HydrophobicContact CD-CE2 4.06Å; K69-F117 HydrophobicContact CD-CZ 3.56Å; K69-F117 HydrophobicContact CG-CE1 4.05Å; K69-F117 HydrophobicContact CG-CZ 4.24Å; L84-F117 HydrophobicContact CB-CB 4.09Å; L84-F117 HydrophobicContact CB-CD1 4.02Å; L84-F117 HydrophobicContact CB-CG 4.29Å; R85-F117 CarbonylContact O-C 3.59Å; R85-F117 WeakPolarHBondContact O-CA 3.46Å; H114-F117 VanDerWaalsContact O-CE2 3.26Å; H114-F117 WeakPolarHBondContact O-CE2 3.45Å; H114-F117 WeakPolarHBondContact O-CZ 3.18Å; N115-F117 VanDerWaalsContact C-CE2 3.47Å; N115-F117 VanDerWaalsContact O-CD2 3.23Å; N115-F117 WeakPolarHBondContact O-CD2 3.24Å; N115-F117 VanDerWaalsContact O-CE2 3.27Å; N115-F117 WeakPolarHBondContact O-CE2 3.42Å; F117-A131 WeakPolarHBondContact CA-O 3.39Å; F117-A131 HydrophobicContact CB-CB 4.4Å; F117-A131 WeakPolarHBondContact CB-O 3.47Å; F117-A131 PolarHBondContact N-O 2.79Å; F117-A131 PolarHBondContact O-N 2.76Å; F117-I133 HydrophobicContact CD2-CB 4.12Å; F117-I133 HydrophobicContact CD2-CD1 4.02Å; F117-I133 HydrophobicContact CD2-CG1 3.88Å; F117-I133 HydrophobicContact CE2-CB 3.95Å; F117-I133 HydrophobicContact CE2-CD1 4.34Å; F117-I133 HydrophobicContact CE2-CG1 4.2Å
118	T	86.4	Confident	75.7	Confident	15 Å²	15	52 Å²	52	9%	0.092	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	158.6	166	-171	0	0	0	0	108.9	R85 N87 V129	R85-T118 HydrophobicContact CG-CG2 3.71Å; R85-T118 PolarHBondContact N-O 3.31Å; R85-T118 PolarHBondContact O-N 3.2Å; N87-T118 HydrophobicContact CB-CG2 4.17Å; T118-V129 CarbonylContact C-O 3.59Å; T118-V129 VanDerWaalsContact CA-O 3.31Å; T118-V129 WeakPolarHBondContact CA-O 3.03Å; T118-V129 PolarHBondContact OG1-O 2.81Å
119	G	82.8	Confident	76.1	Confident	15 Å²	15	47.3 Å²	47.3	16%	0.155	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.5	-160.4	-171.8	0	0	0	0	0	115.3	Y83 R128 V129	Y83-G119 WeakPolarHBondContact O-CA 3.39Å; G119-R128 WeakPolarHBondContact O-CA 3.22Å; G119-V129 PolarHBondContact N-O 2.98Å; G119-V129 PolarHBondContact O-N 3.44Å
120	H	77.3	Confident	76.9	Confident	77 Å²	77	45.8 Å²	45.8	36%	0.356	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	167.4	-179.1	62.2	-95.9	0	0	0	111.5	L82 Y83 S127	L82-H120 WeakPolarHBondContact CA-O 3.5Å; Y83-H120 AromaticContact CD1-CE1 3.42Å; Y83-H120 VanDerWaalsContact CD1-CE1 3.42Å; Y83-H120 WeakPolarHBondContact CD1-CE1 3.44Å; Y83-H120 AromaticContact CD1-ND1 3.98Å; Y83-H120 PolarHBondContact N-O 3.06Å; Y83-H120 PolarHBondContact O-N 3.17Å; Y83-H120 VanDerWaalsContact O-N 3.12Å; H120-S127 WeakPolarHBondContact CB-O 3.41Å
121	V	79.4	Confident	77.8	Confident	3 Å²	3	40.8 Å²	40.8	2%	0.018	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	125.3	170.1	-169.7	0	0	0	0	108.9	L82 G123 E124 S127 V129 I142 T144	L82-V121 HydrophobicContact CD2-CB 4.43Å; L82-V121 HydrophobicContact CD2-CG1 4.42Å; L82-V121 HydrophobicContact CD2-CG2 3.84Å; V121-G123 PolarHBondContact O-N 3.33Å; V121-E124 HydrophobicContact CB-CB 4.41Å; V121-E124 VanDerWaalsContact CG1-OE1 3.29Å; V121-E124 WeakPolarHBondContact CG1-OE1 3.32Å; V121-E124 PolarHBondContact O-N 2.96Å; V121-E124 VanDerWaalsContact O-N 3.12Å; V121-S127 WeakPolarHBondContact CA-OG 3.39Å; V121-S127 WeakPolarHBondContact CB-OG 3.16Å; V121-S127 PolarHBondContact N-OG 3.41Å; V121-S127 PolarHBondContact O-OG 2.71Å; V121-V129 HydrophobicContact CG2-CG2 4.3Å; V121-I142 HydrophobicContact CG2-CG2 3.58Å; V121-T144 HydrophobicContact CG2-CG2 4.25Å
122	I	73.6	Confident	78.4	Confident	58 Å²	58	39.7 Å²	39.7	30%	0.297	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	104.9	-175.3	-59.6	172.3	0	0	0	109.4	L70 R81	L70-I122 HydrophobicContact CD1-CD1 3.66Å; L70-I122 HydrophobicContact CG-CD1 4.06Å; R81-I122 HydrophobicContact CB-CB 4.25Å; R81-I122 HydrophobicContact CB-CD1 4.34Å; R81-I122 WeakPolarHBondContact O-CG1 3.49Å; R81-I122 PolarHBondContact O-N 2.75Å
123	G	62.9	Low	79.1	Confident	79 Å²	79	36.4 Å²	36.4	81%	0.814	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	120.3	-3.5	-177.7	0	0	0	0	0	114.7	V121	V121-G123 PolarHBondContact O-N 3.33Å
124	E	71.9	Confident	79.1	Confident	57 Å²	57	35.8 Å²	35.8	27%	0.266	20%	0.199	S	C	.	.			trans	-128.4	103.4	-176.3	-69.6	162.8	-121.7	0	0	110.8	R78 V121 N126 S127 T144	R78-E124 IonicContact CZ-OE1 2.7Å; R78-E124 IonicContact CZ-OE2 3.33Å; R78-E124 IonicContact NH1-OE2 3.47Å; R78-E124 IonicContact NH2-OE1 3.61Å; R78-E124 PolarHBondContact NH2-OE1 3.14Å; R78-E124 IonicContact NH2-OE2 2.71Å; R78-E124 PolarHBondContact NH2-OE2 2.96Å; V121-E124 HydrophobicContact CB-CB 4.41Å; V121-E124 VanDerWaalsContact CG1-OE1 3.29Å; V121-E124 WeakPolarHBondContact CG1-OE1 3.32Å; V121-E124 PolarHBondContact O-N 2.96Å; V121-E124 VanDerWaalsContact O-N 3.12Å; E124-N126 PolarHBondContact O-N 2.89Å; E124-S127 WeakPolarHBondContact O-CB 3.45Å; E124-S127 PolarHBondContact O-N 3.27Å; E124-S127 VanDerWaalsContact O-N 3.08Å; E124-S127 PolarHBondContact O-OG 2.73Å; E124-T144 WeakPolarHBondContact OE2-CB 3.39Å; E124-T144 WeakPolarHBondContact OE2-CG2 3.45Å
125	E	52.6	Low	78.9	Confident	106 Å²	106	39.5 Å²	39.5	50%	0.495	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-38.8	-169.7	-63.7	179.6	122.8	0	0	114.3	S127 Q537	E125-S127 VanDerWaalsContact C-N 3.31Å; E125-Q537 VanDerWaalsContact OE2-CD 3.25Å; E125-Q537 WeakPolarHBondContact OE2-CG 3.3Å; E125-Q537 PolarHBondContact OE2-NE2 2.99Å
126	N	66.8	Low	78.3	Confident	97 Å²	97	46.1 Å²	46.1	52%	0.519	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	1.9	179.3	-57.2	-55.1	0	0	0	113.3	E124 D145	E124-N126 PolarHBondContact O-N 2.89Å; N126-D145 WeakPolarHBondContact CB-OD1 3.4Å; N126-D145 WeakPolarHBondContact CB-OD2 3.44Å; N126-D145 PolarHBondContact ND2-OD1 2.93Å; N126-D145 PolarHBondContact ND2-OD2 2.96Å
127	S	76.9	Confident	77.8	Confident	9 Å²	9	47.1 Å²	47.1	6%	0.063	26%	0.256	C	S	.	.			trans	-75.1	144.6	-177.7	70.5	0	0	0	0	112	H120 V121 E124 E125 L143	H120-S127 WeakPolarHBondContact CB-O 3.41Å; V121-S127 WeakPolarHBondContact CA-OG 3.39Å; V121-S127 WeakPolarHBondContact CB-OG 3.16Å; V121-S127 PolarHBondContact N-OG 3.41Å; V121-S127 PolarHBondContact O-OG 2.71Å; E124-S127 WeakPolarHBondContact O-CB 3.45Å; E124-S127 PolarHBondContact O-N 3.27Å; E124-S127 VanDerWaalsContact O-N 3.08Å; E124-S127 PolarHBondContact O-OG 2.73Å; E125-S127 VanDerWaalsContact C-N 3.31Å; S127-L143 CarbonylContact C-O 3.58Å; S127-L143 VanDerWaalsContact CA-O 3.23Å; S127-L143 WeakPolarHBondContact CA-O 3.29Å; S127-L143 WeakPolarHBondContact CB-O 3.31Å
128	R	82.5	Confident	77.9	Confident	68 Å²	68	47 Å²	47	26%	0.257	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	136.6	177.7	-174.8	169.1	174.4	-82.9	-3	110.5	G119 L143 D263	G119-R128 WeakPolarHBondContact O-CA 3.22Å; R128-L143 PolarHBondContact N-O 2.84Å; R128-L143 PolarHBondContact O-N 2.95Å; R128-D263 IonicContact CZ-OD1 2.64Å; R128-D263 IonicContact CZ-OD2 3.15Å; R128-D263 IonicContact NE-OD1 2.84Å; R128-D263 IonicContact NH1-OD1 3.84Å; R128-D263 IonicContact NH1-OD2 2.8Å; R128-D263 PolarHBondContact NH1-OD2 3.36Å; R128-D263 IonicContact NH2-OD1 2.84Å; R128-D263 PolarHBondContact NH2-OD1 2.97Å; R128-D263 IonicContact NH2-OD2 2.68Å; R128-D263 PolarHBondContact NH2-OD2 3.29Å
129	V	89.1	Confident	78.1	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	135	177.8	-174.3	0	0	0	0	109.5	L82 L84 T118 G119 V121 A131 H141 I142	L82-V129 HydrophobicContact CD1-CG1 4.23Å; L82-V129 HydrophobicContact CD2-CG2 4.05Å; L84-V129 HydrophobicContact CD2-CB 3.97Å; L84-V129 HydrophobicContact CD2-CG1 3.65Å; T118-V129 CarbonylContact C-O 3.59Å; T118-V129 VanDerWaalsContact CA-O 3.31Å; T118-V129 WeakPolarHBondContact CA-O 3.03Å; T118-V129 PolarHBondContact OG1-O 2.81Å; G119-V129 PolarHBondContact N-O 2.98Å; G119-V129 PolarHBondContact O-N 3.44Å; V121-V129 HydrophobicContact CG2-CG2 4.3Å; V129-A131 HydrophobicContact CG1-CB 4.28Å; V129-H141 WeakPolarHBondContact CA-O 3.45Å; V129-I142 HydrophobicContact CG1-CG1 4.21Å; V129-I142 HydrophobicContact CG2-CG1 4.29Å; V129-I142 HydrophobicContact CG2-CG2 4.23Å
130	Q	91.3	Very high	78.5	Confident	11 Å²	11	46.2 Å²	46.2	5%	0.051	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.7	158.8	-67.3	164.1	-87	0	0	107	A140 H141 D259 D263	Q130-A140 CarbonylContact O-C 3.57Å; Q130-A140 VanDerWaalsContact O-CA 3.22Å; Q130-A140 WeakPolarHBondContact O-CA 3.42Å; Q130-H141 PolarHBondContact N-O 2.04Å; Q130-H141 PolarHBondContact O-N 3.45Å; Q130-D259 PolarHBondContact NE2-O 3.44Å; Q130-D259 VanDerWaalsContact NE2-O 3.16Å; Q130-D259 PolarHBondContact NE2-OD2 3.23Å; Q130-D263 PolarHBondContact NE2-OD2 3.36Å; Q130-D263 PolarHBondContact OE1-OD2 3.01Å; Q130-D263 VanDerWaalsContact OE1-OD2 3.14Å
131	A	91.1	Very high	79.2	Confident	8 Å²	8	43.7 Å²	43.7	7%	0.066	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	141.3	-180	0	0	0	0	0	111.6	L84 F117 V129 I133 S139 A140	L84-A131 HydrophobicContact CD1-CB 4.32Å; F117-A131 WeakPolarHBondContact CA-O 3.39Å; F117-A131 HydrophobicContact CB-CB 4.4Å; F117-A131 WeakPolarHBondContact CB-O 3.47Å; F117-A131 PolarHBondContact N-O 2.79Å; F117-A131 PolarHBondContact O-N 2.76Å; V129-A131 HydrophobicContact CG1-CB 4.28Å; A131-I133 HydrophobicContact CB-CD1 4.38Å; A131-I133 HydrophobicContact CB-CG1 4.22Å; A131-S139 CarbonylContact C-O 3.51Å; A131-S139 WeakPolarHBondContact CA-O 3.27Å; A131-S139 WeakPolarHBondContact CB-O 3.48Å; A131-A140 HydrophobicContact CB-CB 3.91Å
132	H	89.1	Confident	79.7	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.009	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	128	165.9	165	-106.7	0	0	0	108.1	N115 Y116 F138 S139 N252 E256	N115-H132 WeakPolarHBondContact O-CA 3.22Å; N115-H132 PolarHBondContact O-CD2 2.68Å; Y116-H132 HydrophobicContact CD1-CB 4.14Å; Y116-H132 AromaticContact CD1-CD2 3.98Å; Y116-H132 HydrophobicContact CE1-CB 4.16Å; Y116-H132 AromaticContact CE1-CD2 3.62Å; Y116-H132 AromaticContact CE1-CG 3.97Å; Y116-H132 AromaticContact CZ-CD2 3.7Å; H132-F138 WeakPolarHBondContact O-CA 3.26Å; H132-S139 PolarHBondContact N-O 3.31Å; H132-S139 PolarHBondContact O-N 3.03Å; H132-N252 PolarHBondContact CE1-ND2 2.56Å; H132-E256 HydrophobicContact CB-CG 3.93Å; H132-E256 IonicContact CG-OE1 2.66Å; H132-E256 IonicContact ND1-OE1 2.72Å; H132-E256 PolarHBondContact ND1-OE1 3.11Å
133	I	86.6	Confident	80.3	Confident	6 Å²	6	44.3 Å²	44.3	3%	0.031	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	103	-170.3	-45.5	-177	0	0	0	109.4	K69 L71 L84 N115 F117 A131 F138	K69-I133 HydrophobicContact CD-CD1 4.04Å; K69-I133 PolarHBondContact NZ-O 2.95Å; L71-I133 HydrophobicContact CD1-CD1 4.08Å; L84-I133 HydrophobicContact CD1-CD1 3.57Å; N115-I133 PolarHBondContact O-N 2.64Å; F117-I133 HydrophobicContact CD2-CB 4.12Å; F117-I133 HydrophobicContact CD2-CD1 4.02Å; F117-I133 HydrophobicContact CD2-CG1 3.88Å; F117-I133 HydrophobicContact CE2-CB 3.95Å; F117-I133 HydrophobicContact CE2-CD1 4.34Å; F117-I133 HydrophobicContact CE2-CG1 4.2Å; A131-I133 HydrophobicContact CB-CD1 4.38Å; A131-I133 HydrophobicContact CB-CG1 4.22Å; I133-F138 HydrophobicContact CB-CD2 4.39Å; I133-F138 HydrophobicContact CD1-CD2 4.02Å; I133-F138 HydrophobicContact CD1-CE2 3.69Å; I133-F138 HydrophobicContact CG1-CD2 3.68Å; I133-F138 HydrophobicContact CG1-CE2 3.77Å; I133-F138 HydrophobicContact CG2-CD2 4.22Å
134	D	74.8	Confident	81.2	Confident	52 Å²	52	41.1 Å²	41.1	28%	0.278	21%	0.205	S	C	.	.			trans	-106.1	179.8	174.9	-148.4	-15.2	0	0	0	111	N115 H136 E137	N115-D134 PolarHBondContact ND2-OD1 3.16Å; N115-D134 PolarHBondContact ND2-OD2 2.79Å; D134-H136 PolarHBondContact O-N 2.8Å; D134-E137 PolarHBondContact N-O 3.12Å
135	D	68.8	Low	81.2	Confident	139 Å²	139	42.2 Å²	42.2	74%	0.743	21%	0.213	S	C	*	.	S	Bend	trans	-65.3	-18.8	178.3	-81	-21.3	0	0	0	113.4
136	H	70	Confident	82.1	Confident	159 Å²	159	44 Å²	44	74%	0.736	22%	0.221	S	C	*	.	S	Bend	trans	-129.8	-13.4	-174.8	-61.4	-16.3	0	0	0	114.6	D134	D134-H136 PolarHBondContact O-N 2.8Å
137	E	76.1	Confident	82.6	Confident	27 Å²	27	40.4 Å²	40.4	13%	0.126	21%	0.205	C	C	.	.			trans	-129.8	145	-175.4	-59.6	-139.1	107.7	0	0	112.1	D134 W155	D134-E137 PolarHBondContact N-O 3.12Å; E137-W155 VanDerWaalsContact OE1-CE2 3.29Å; E137-W155 VanDerWaalsContact OE1-CZ2 3.31Å; E137-W155 WeakPolarHBondContact OE1-CZ2 3.5Å; E137-W155 PolarHBondContact OE1-NE1 3.49Å
138	F	86.8	Confident	83	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	128.5	169.3	-178.9	-94.4	0	0	0	109.1	F48 L51 L71 H132 I133 A140 I151 L166	F48-F138 HydrophobicContact CD2-CB 3.76Å; F48-F138 HydrophobicContact CE2-CB 3.8Å; L51-F138 HydrophobicContact CD1-CB 3.92Å; L51-F138 HydrophobicContact CD1-CD1 3.62Å; L51-F138 HydrophobicContact CD1-CD2 3.63Å; L51-F138 HydrophobicContact CD1-CE1 3.96Å; L51-F138 HydrophobicContact CD1-CE2 3.99Å; L51-F138 HydrophobicContact CD1-CG 3.43Å; L51-F138 VanDerWaalsContact CD1-CG 3.43Å; L51-F138 HydrophobicContact CD1-CZ 4.14Å; L71-F138 HydrophobicContact CD1-CD2 4.2Å; L71-F138 HydrophobicContact CD1-CE2 3.59Å; L71-F138 HydrophobicContact CD1-CZ 4.29Å; L71-F138 HydrophobicContact CD2-CE2 4.16Å; L71-F138 HydrophobicContact CD2-CZ 4.03Å; H132-F138 WeakPolarHBondContact O-CA 3.26Å; I133-F138 HydrophobicContact CB-CD2 4.39Å; I133-F138 HydrophobicContact CD1-CD2 4.02Å; I133-F138 HydrophobicContact CD1-CE2 3.69Å; I133-F138 HydrophobicContact CG1-CD2 3.68Å; I133-F138 HydrophobicContact CG1-CE2 3.77Å; I133-F138 HydrophobicContact CG2-CD2 4.22Å; F138-A140 HydrophobicContact CE1-CB 3.61Å; F138-A140 HydrophobicContact CZ-CB 3.59Å; F138-I151 HydrophobicContact CD1-CG2 3.66Å; F138-I151 HydrophobicContact CE1-CB 4.18Å; F138-I151 HydrophobicContact CE1-CD1 4.15Å; F138-I151 HydrophobicContact CE1-CG2 3.66Å; F138-L166 HydrophobicContact CB-CD1 4.11Å; F138-L166 HydrophobicContact CB-CD2 4.09Å; F138-L166 HydrophobicContact CD1-CD1 3.94Å; F138-L166 HydrophobicContact CG-CD1 4.37Å; F138-L166 WeakPolarHBondContact O-CD2 3.43Å
139	S	89.8	Confident	83.3	Confident	6 Å²	6	38.3 Å²	38.3	4%	0.042	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	146.4	162.3	67.1	0	0	0	0	108.8	A131 H132 I151 E256	A131-S139 CarbonylContact C-O 3.51Å; A131-S139 WeakPolarHBondContact CA-O 3.27Å; A131-S139 WeakPolarHBondContact CB-O 3.48Å; H132-S139 PolarHBondContact N-O 3.31Å; H132-S139 PolarHBondContact O-N 3.03Å; S139-I151 CarbonylContact C-O 3.59Å; S139-I151 VanDerWaalsContact CA-O 3.26Å; S139-I151 WeakPolarHBondContact CA-O 3.49Å; S139-E256 WeakPolarHBondContact CB-OE1 3.37Å; S139-E256 PolarHBondContact OG-OE1 3.42Å; S139-E256 PolarHBondContact OG-OE2 2.81Å
140	A	91.9	Very high	83.4	Confident	7 Å²	7	38.7 Å²	38.7	6%	0.058	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	144.3	172.4	0	0	0	0	0	111.9	Q130 A131 F138 I142 I151	Q130-A140 CarbonylContact O-C 3.57Å; Q130-A140 VanDerWaalsContact O-CA 3.22Å; Q130-A140 WeakPolarHBondContact O-CA 3.42Å; A131-A140 HydrophobicContact CB-CB 3.91Å; F138-A140 HydrophobicContact CE1-CB 3.61Å; F138-A140 HydrophobicContact CZ-CB 3.59Å; A140-I142 HydrophobicContact CB-CG1 4.46Å; A140-I151 HydrophobicContact CB-CB 4.23Å; A140-I151 HydrophobicContact CB-CD1 4.38Å; A140-I151 PolarHBondContact N-O 3.23Å; A140-I151 WeakPolarHBondContact O-CB 3.29Å; A140-I151 PolarHBondContact O-N 2.89Å
141	H	91.6	Very high	83.4	Confident	24 Å²	24	38.3 Å²	38.3	11%	0.111	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	120.3	171	-179.9	85.1	0	0	0	107.3	V129 Q130 E148 N150	V129-H141 WeakPolarHBondContact CA-O 3.45Å; Q130-H141 PolarHBondContact N-O 2.04Å; Q130-H141 PolarHBondContact O-N 3.45Å; H141-E148 VanDerWaalsContact CE1-CG 3.48Å; H141-E148 WeakPolarHBondContact CE1-CG 3.33Å; H141-E148 IonicContact CE1-OE1 3.03Å; H141-E148 PolarHBondContact CE1-OE1 3.16Å; H141-E148 VanDerWaalsContact CE1-OE1 3.27Å; H141-E148 IonicContact NE2-OE1 2.72Å; H141-E148 PolarHBondContact NE2-OE1 2.91Å; H141-N150 PolarHBondContact ND1-OD1 3.45Å
142	I	90.6	Very high	83.3	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	107.6	-172	-53.5	169.3	0	0	0	108.2	F73 F80 L82 V121 V129 A140 T144 E148 Y149 I151	F73-I142 HydrophobicContact CZ-CD1 4.06Å; F80-I142 HydrophobicContact CD1-CD1 4.05Å; F80-I142 HydrophobicContact CE1-CD1 4.33Å; F80-I142 HydrophobicContact CE1-CG2 4.41Å; L82-I142 HydrophobicContact CD1-CD1 3.94Å; L82-I142 HydrophobicContact CD1-CG1 4.47Å; L82-I142 HydrophobicContact CD2-CD1 4.11Å; V121-I142 HydrophobicContact CG2-CG2 3.58Å; V129-I142 HydrophobicContact CG1-CG1 4.21Å; V129-I142 HydrophobicContact CG2-CG1 4.29Å; V129-I142 HydrophobicContact CG2-CG2 4.23Å; A140-I142 HydrophobicContact CB-CG1 4.46Å; I142-T144 HydrophobicContact CG2-CG2 3.95Å; I142-E148 WeakPolarHBondContact O-CA 3.25Å; I142-Y149 PolarHBondContact N-O 3.25Å; I142-Y149 PolarHBondContact O-N 2.91Å; I142-I151 HydrophobicContact CD1-CD1 3.86Å
143	L	85.2	Confident	83.2	Confident	73 Å²	73	38.3 Å²	38.3	38%	0.382	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	134.8	172.8	-175.6	64.6	0	0	0	109.6	S127 R128 E148	S127-L143 CarbonylContact C-O 3.58Å; S127-L143 VanDerWaalsContact CA-O 3.23Å; S127-L143 WeakPolarHBondContact CA-O 3.29Å; S127-L143 WeakPolarHBondContact CB-O 3.31Å; R128-L143 PolarHBondContact N-O 2.84Å; R128-L143 PolarHBondContact O-N 2.95Å; L143-E148 HydrophobicContact CD1-CB 4.22Å
144	T	81.4	Confident	83.1	Confident	12 Å²	12	38.1 Å²	38.1	7%	0.074	20%	0.195	C	C	.	.			trans	-141.9	165.3	178.5	72	0	0	0	0	109.7	V121 E124 I142 E146 A147 Y149	V121-T144 HydrophobicContact CG2-CG2 4.25Å; E124-T144 WeakPolarHBondContact OE2-CB 3.39Å; E124-T144 WeakPolarHBondContact OE2-CG2 3.45Å; I142-T144 HydrophobicContact CG2-CG2 3.95Å; T144-E146 PolarHBondContact O-N 3.36Å; T144-E146 PolarHBondContact OG1-N 2.99Å; T144-A147 PolarHBondContact N-O 3.47Å; T144-A147 PolarHBondContact OG1-N 2.04Å; T144-A147 VanDerWaalsContact OG1-N 3.1Å; T144-A147 PolarHBondContact OG1-O 3.05Å; T144-Y149 HydrophobicContact CG2-CD2 4.5Å; T144-Y149 HydrophobicContact CG2-CE2 4.29Å
145	D	71.8	Confident	83.4	Confident	81 Å²	81	36.4 Å²	36.4	43%	0.433	19%	0.185	S	C	.	.	S	Bend	trans	-63.5	-21.1	175.3	-75.7	-37.9	0	0	0	113.4	N126 I540	N126-D145 WeakPolarHBondContact CB-OD1 3.4Å; N126-D145 WeakPolarHBondContact CB-OD2 3.44Å; N126-D145 PolarHBondContact ND2-OD1 2.93Å; N126-D145 PolarHBondContact ND2-OD2 2.96Å; D145-I540 HydrophobicContact CB-CD1 4.45Å
146	E	71.8	Confident	83.8	Confident	142 Å²	142	30.6 Å²	30.6	66%	0.664	15%	0.153	S	C	*	.	S	Bend	trans	-87.5	-46.4	178.7	-58.3	-170.2	130.9	0	0	112.9	R78 T144	R78-E146 IonicContact CZ-OE2 3.16Å; R78-E146 IonicContact NH1-OE2 3.35Å; R78-E146 PolarHBondContact NH1-OE2 2.8Å; T144-E146 PolarHBondContact O-N 3.36Å; T144-E146 PolarHBondContact OG1-N 2.99Å
147	A	77.4	Confident	84.2	Confident	23 Å²	23	23.7 Å²	23.7	19%	0.19	12%	0.12	C	C	.	.			trans	-164	167.2	-166.8	0	0	0	0	0	112.5	T144 Y149	T144-A147 PolarHBondContact N-O 3.47Å; T144-A147 PolarHBondContact OG1-N 2.04Å; T144-A147 VanDerWaalsContact OG1-N 3.1Å; T144-A147 PolarHBondContact OG1-O 3.05Å; A147-Y149 HydrophobicContact CB-CD2 4.5Å; A147-Y149 HydrophobicContact CB-CE2 3.81Å
148	E	84.9	Confident	84	Confident	19 Å²	19	23 Å²	23	9%	0.089	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130.2	171	173.1	-176.5	-93.8	0	0	109.3	H141 I142 L143 R170 S171 K450	H141-E148 VanDerWaalsContact CE1-CG 3.48Å; H141-E148 WeakPolarHBondContact CE1-CG 3.33Å; H141-E148 IonicContact CE1-OE1 3.03Å; H141-E148 PolarHBondContact CE1-OE1 3.16Å; H141-E148 VanDerWaalsContact CE1-OE1 3.27Å; H141-E148 IonicContact NE2-OE1 2.72Å; H141-E148 PolarHBondContact NE2-OE1 2.91Å; I142-E148 WeakPolarHBondContact O-CA 3.25Å; L143-E148 HydrophobicContact CD1-CB 4.22Å; E148-R170 WeakPolarHBondContact O-CA 3.33Å; E148-S171 PolarHBondContact O-N 2.93Å; E148-S171 WeakPolarHBondContact OE2-CB 3.03Å; E148-S171 PolarHBondContact OE2-OG 3.2Å; E148-K450 IonicContact OE1-NZ 3.18Å; E148-K450 PolarHBondContact OE1-NZ 3.16Å; E148-K450 WeakPolarHBondContact OE2-CE 3.32Å; E148-K450 IonicContact OE2-NZ 2.72Å; E148-K450 PolarHBondContact OE2-NZ 3.27Å
149	Y	90	Very high	83.1	Confident	14 Å²	14	29.2 Å²	29.2	6%	0.055	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	133.3	-177.3	-54.4	-99.4	0	0	0	110	L76 R78 F80 I142 T144 A147 R170	L76-Y149 HydrophobicContact CD1-CD1 4.11Å; L76-Y149 HydrophobicContact CD1-CE1 4.39Å; R78-Y149 PolarHBondContact NH1-OH 3.3Å; F80-Y149 HydrophobicContact CE1-CD1 4.5Å; F80-Y149 HydrophobicContact CE1-CD2 4.03Å; F80-Y149 HydrophobicContact CE1-CE2 4.08Å; F80-Y149 HydrophobicContact CE1-CG 4.26Å; F80-Y149 AromaticContact CZ-CD1 3.73Å; F80-Y149 HydrophobicContact CZ-CD1 3.73Å; F80-Y149 HydrophobicContact CZ-CD2 4.06Å; F80-Y149 AromaticContact CZ-CE1 3.7Å; F80-Y149 HydrophobicContact CZ-CE1 3.7Å; F80-Y149 HydrophobicContact CZ-CE2 4.03Å; F80-Y149 AromaticContact CZ-CG 3.92Å; F80-Y149 HydrophobicContact CZ-CG 3.92Å; F80-Y149 AromaticContact CZ-CZ 3.86Å; I142-Y149 PolarHBondContact N-O 3.25Å; I142-Y149 PolarHBondContact O-N 2.91Å; T144-Y149 HydrophobicContact CG2-CD2 4.5Å; T144-Y149 HydrophobicContact CG2-CE2 4.29Å; A147-Y149 HydrophobicContact CB-CD2 4.5Å; A147-Y149 HydrophobicContact CB-CE2 3.81Å; Y149-R170 HydrophobicContact CD1-CG 3.5Å; Y149-R170 HydrophobicContact CE1-CG 3.5Å; Y149-R170 HydrophobicContact CG-CG 4.37Å
150	N	90.3	Very high	82.1	Confident	8 Å²	8	29.5 Å²	29.5	4%	0.043	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	133.1	177	-52.9	-69	0	0	0	108.8	H141 I168 Y169 S171	H141-N150 PolarHBondContact ND1-OD1 3.45Å; N150-I168 WeakPolarHBondContact O-CA 3.4Å; N150-Y169 HydrophobicContact CB-CD1 4.03Å; N150-Y169 HydrophobicContact CB-CD2 4.34Å; N150-Y169 HydrophobicContact CB-CE1 3.56Å; N150-Y169 HydrophobicContact CB-CE2 3.9Å; N150-Y169 HydrophobicContact CB-CG 4.41Å; N150-Y169 VanDerWaalsContact CB-CZ 3.5Å; N150-Y169 PolarHBondContact N-O 2.87Å; N150-Y169 PolarHBondContact O-N 2.91Å; N150-S171 PolarHBondContact ND2-OG 2.82Å
151	I	92.4	Very high	81	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	121.3	179.1	-53.5	-177	0	0	0	107.8	F73 F138 S139 A140 I142 L166 L167 I168	F73-I151 HydrophobicContact CE1-CD1 4.29Å; F73-I151 HydrophobicContact CE2-CD1 3.64Å; F73-I151 HydrophobicContact CZ-CD1 3.34Å; F138-I151 HydrophobicContact CD1-CG2 3.66Å; F138-I151 HydrophobicContact CE1-CB 4.18Å; F138-I151 HydrophobicContact CE1-CD1 4.15Å; F138-I151 HydrophobicContact CE1-CG2 3.66Å; S139-I151 CarbonylContact C-O 3.59Å; S139-I151 VanDerWaalsContact CA-O 3.26Å; S139-I151 WeakPolarHBondContact CA-O 3.49Å; A140-I151 HydrophobicContact CB-CB 4.23Å; A140-I151 HydrophobicContact CB-CD1 4.38Å; A140-I151 PolarHBondContact N-O 3.23Å; A140-I151 WeakPolarHBondContact O-CB 3.29Å; A140-I151 PolarHBondContact O-N 2.89Å; I142-I151 HydrophobicContact CD1-CD1 3.86Å; I151-L166 HydrophobicContact CG2-CB 4.3Å; I151-L166 HydrophobicContact CG2-CD1 4.45Å; I151-L167 WeakPolarHBondContact CA-O 3.45Å; I151-I168 HydrophobicContact CB-CG1 4.38Å; I151-I168 HydrophobicContact CD1-CD1 4.27Å; I151-I168 HydrophobicContact CD1-CG1 4.41Å; I151-I168 HydrophobicContact CD1-CG2 4.49Å; I151-I168 HydrophobicContact CG1-CB 4.49Å; I151-I168 HydrophobicContact CG1-CD1 4.41Å; I151-I168 HydrophobicContact CG1-CG1 4.01Å; I151-I168 HydrophobicContact CG1-CG2 4.06Å; I151-I168 HydrophobicContact CG2-CD1 4.36Å; I151-I168 HydrophobicContact CG2-CG1 3.92Å
152	E	88.9	Confident	80.2	Confident	7 Å²	7	36.6 Å²	36.6	3%	0.033	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	152.4	-171.6	-61.7	-165.4	-110.2	0	0	112	L154 R156 F157 L166 L167 Y169 T398	E152-L154 PolarHBondContact O-N 2.81Å; E152-R156 WeakPolarHBondContact OE2-CD 3.07Å; E152-R156 IonicContact OE2-CZ 2.97Å; E152-R156 IonicContact OE2-NH1 2.74Å; E152-R156 PolarHBondContact OE2-NH1 3.4Å; E152-F157 HydrophobicContact CB-CE2 4.18Å; E152-L166 CarbonylContact O-C 3.52Å; E152-L166 WeakPolarHBondContact O-CA 3.27Å; E152-L167 PolarHBondContact N-O 3.41Å; E152-L167 PolarHBondContact O-N 3.25Å; E152-Y169 PolarHBondContact OE1-OH 2.84Å; E152-T398 VanDerWaalsContact CD-OG1 3.3Å; E152-T398 WeakPolarHBondContact OE1-CB 3.27Å; E152-T398 PolarHBondContact OE1-OG1 3.44Å; E152-T398 VanDerWaalsContact OE2-CB 3.25Å; E152-T398 WeakPolarHBondContact OE2-CB 3.41Å; E152-T398 PolarHBondContact OE2-OG1 2.78Å
153	P	86.6	Confident	79.6	Confident	4 Å²	4	40.5 Å²	40.5	3%	0.026	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	122.1	169.5	-23.3	33	0	0	0	112.1	W155 R156	P153-W155 HydrophobicContact CB-CD2 4.32Å; P153-W155 HydrophobicContact CB-CG 4.23Å; P153-W155 HydrophobicContact CB-CZ2 4.17Å; P153-W155 HydrophobicContact CG-CZ2 4.47Å; P153-W155 PolarHBondContact O-N 3.48Å; P153-W155 VanDerWaalsContact O-N 3.07Å; P153-R156 WeakPolarHBondContact O-CB 3.44Å; P153-R156 WeakPolarHBondContact O-CG 3.49Å; P153-R156 PolarHBondContact O-N 3.37Å
154	L	84.6	Confident	79.3	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-56	-30	-176.4	-179.2	75.1	0	0	0	112.9	F33 L36 V45 E152 R156 F157 T158 R165 L167	F33-L154 HydrophobicContact CE1-CD1 4.4Å; F33-L154 HydrophobicContact CE1-CD2 4.17Å; L36-L154 HydrophobicContact CD1-CD1 3.59Å; V45-L154 HydrophobicContact CG1-CD1 4.22Å; V45-L154 HydrophobicContact CG1-CD2 3.91Å; V45-L154 HydrophobicContact CG2-CD1 4.08Å; E152-L154 PolarHBondContact O-N 2.81Å; L154-R156 PolarHBondContact O-N 3.49Å; L154-F157 PolarHBondContact O-N 3.36Å; L154-T158 HydrophobicContact CD1-CG2 4.3Å; L154-T158 HydrophobicContact CG-CG2 4.2Å; L154-T158 PolarHBondContact O-OG1 2.79Å; L154-R165 HydrophobicContact CB-CB 3.91Å; L154-R165 VanDerWaalsContact CB-O 3.26Å; L154-R165 WeakPolarHBondContact CB-O 3.45Å; L154-R165 HydrophobicContact CD2-CB 3.62Å; L154-R165 HydrophobicContact CD2-CG 4.4Å; L154-R165 VanDerWaalsContact CD2-CZ 3.41Å; L154-R165 HydrophobicContact CG-CB 4.41Å; L154-R165 PolarHBondContact N-O 3.32Å; L154-L167 HydrophobicContact CD1-CB 4.1Å; L154-L167 HydrophobicContact CD1-CD1 4.37Å
155	W	80.9	Confident	79.6	Confident	16 Å²	16	39.9 Å²	39.9	6%	0.061	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-62.5	-22.3	-179.4	67.6	-112.7	0	0	0	112.7	E137 P153 F157 T158 P162 R244 T249	E137-W155 VanDerWaalsContact OE1-CE2 3.29Å; E137-W155 VanDerWaalsContact OE1-CZ2 3.31Å; E137-W155 WeakPolarHBondContact OE1-CZ2 3.5Å; E137-W155 PolarHBondContact OE1-NE1 3.49Å; P153-W155 HydrophobicContact CB-CD2 4.32Å; P153-W155 HydrophobicContact CB-CG 4.23Å; P153-W155 HydrophobicContact CB-CZ2 4.17Å; P153-W155 HydrophobicContact CG-CZ2 4.47Å; P153-W155 PolarHBondContact O-N 3.48Å; P153-W155 VanDerWaalsContact O-N 3.07Å; W155-F157 PolarHBondContact O-N 2.03Å; W155-T158 VanDerWaalsContact O-O 3.11Å; W155-P162 HydrophobicContact CG-CB 4.26Å; W155-P162 HydrophobicContact CG-CG 4.25Å; W155-R244 VanDerWaalsContact CE3-CD 3.41Å; W155-R244 HydrophobicContact CE3-CG 4.18Å; W155-R244 VanDerWaalsContact CE3-NE 3.26Å; W155-R244 HydrophobicContact CZ3-CG 4.05Å; W155-R244 PolarHBondContact O-NH2 2.8Å; W155-T249 HydrophobicContact CH2-CG2 3.22Å; W155-T249 HydrophobicContact CZ2-CG2 3.46Å; W155-T249 VanDerWaalsContact CZ2-CG2 3.46Å; W155-T249 HydrophobicContact CZ3-CG2 4.28Å
156	R	77.8	Confident	80.4	Confident	18 Å²	18	36.2 Å²	36.2	7%	0.068	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-58.5	-30.8	178.4	-71.9	179.8	-180	-176.2	-0.9	112.4	E152 P153 L154 E256	E152-R156 WeakPolarHBondContact OE2-CD 3.07Å; E152-R156 IonicContact OE2-CZ 2.97Å; E152-R156 IonicContact OE2-NH1 2.74Å; E152-R156 PolarHBondContact OE2-NH1 3.4Å; P153-R156 WeakPolarHBondContact O-CB 3.44Å; P153-R156 WeakPolarHBondContact O-CG 3.49Å; P153-R156 PolarHBondContact O-N 3.37Å; L154-R156 PolarHBondContact O-N 3.49Å; R156-E256 IonicContact CZ-OE2 3.28Å; R156-E256 IonicContact NH1-OE2 3.76Å; R156-E256 PolarHBondContact NH1-OE2 3.46Å; R156-E256 VanDerWaalsContact NH1-OE2 3.09Å; R156-E256 IonicContact NH2-OE1 2.64Å; R156-E256 PolarHBondContact NH2-OE1 2.88Å; R156-E256 IonicContact NH2-OE2 2.68Å; R156-E256 PolarHBondContact NH2-OE2 2.96Å
157	F	76.4	Confident	81.3	Confident	14 Å²	14	29.5 Å²	29.5	6%	0.061	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-119.7	4.9	-169.9	-52	-65.5	0	0	0	114	L36 M39 E152 L154 W155 L167 L397	L36-F157 HydrophobicContact CD2-CB 3.54Å; L36-F157 HydrophobicContact CD2-CD2 4.35Å; L36-F157 HydrophobicContact CD2-CG 4.16Å; L36-F157 HydrophobicContact CG-CB 4.42Å; M39-F157 HydrophobicContact CE-CB 4.16Å; M39-F157 HydrophobicContact CE-CD1 4.35Å; E152-F157 HydrophobicContact CB-CE2 4.18Å; L154-F157 PolarHBondContact O-N 3.36Å; W155-F157 PolarHBondContact O-N 2.03Å; F157-L167 HydrophobicContact CD2-CD2 3.62Å; F157-L167 HydrophobicContact CE2-CD2 4Å; F157-L397 HydrophobicContact CD1-CD2 4.11Å; F157-L397 HydrophobicContact CE1-CD2 3.84Å; F157-L397 HydrophobicContact CZ-CD2 4.08Å
158	T	73.9	Confident	81.9	Confident	11 Å²	11	28.4 Å²	28.4	7%	0.067	17%	0.172	C	C	.	.	S	Bend	trans	-131.6	153.1	-176.4	56.9	0	0	0	0	110.7	L36 L154 W155 A160 R244	L36-T158 HydrophobicContact CD1-CG2 3.99Å; L36-T158 HydrophobicContact CG-CG2 4.36Å; L154-T158 HydrophobicContact CD1-CG2 4.3Å; L154-T158 HydrophobicContact CG-CG2 4.2Å; L154-T158 PolarHBondContact O-OG1 2.79Å; W155-T158 VanDerWaalsContact O-O 3.11Å; T158-A160 PolarHBondContact O-N 3.07Å; T158-R244 PolarHBondContact O-NH2 2.76Å
159	S	67.6	Low	82.1	Confident	132 Å²	132	27.5 Å²	27.5	92%	0.923	17%	0.168	S	C	*	.	S	Bend	trans	-76.7	5.1	173.9	54.4	0	0	0	0	113.7
160	A	68.7	Low	81.9	Confident	12 Å²	12	29.3 Å²	29.3	10%	0.099	18%	0.175	C	C	.	.	S	Bend	trans	-70.2	150.6	178.2	0	0	0	0	0	112	T158 R244	T158-A160 PolarHBondContact O-N 3.07Å; A160-R244 PolarHBondContact O-NH1 3.43Å; A160-R244 PolarHBondContact O-NH2 2.87Å
161	P	68.7	Low	81.5	Confident	95 Å²	95	29.3 Å²	29.3	62%	0.617	18%	0.175	S	C	*	.	P	Polyproline II helix	trans	-64.6	158.6	166	31	-35.7	0	0	0	110.7	D163	P161-D163 PolarHBondContact O-N 2.81Å
162	P	73.7	Confident	80.7	Confident	84 Å²	84	32.7 Å²	32.7	55%	0.545	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-62.3	121.5	172.5	-19	33.6	0	0	0	110.3	W155	W155-P162 HydrophobicContact CG-CB 4.26Å; W155-P162 HydrophobicContact CG-CG 4.25Å
163	D	79.4	Confident	80.3	Confident	82 Å²	82	32.9 Å²	32.9	44%	0.439	19%	0.192	S	C	.	.			trans	-129	12.2	-178.7	65	7	0	0	0	113	P161 R165	P161-D163 PolarHBondContact O-N 2.81Å; D163-R165 VanDerWaalsContact C-N 3.29Å; D163-R165 PolarHBondContact O-N 2.79Å; D163-R165 VanDerWaalsContact OD1-CB 3.29Å; D163-R165 WeakPolarHBondContact OD1-CB 3.34Å; D163-R165 WeakPolarHBondContact OD1-CG 3.14Å; D163-R165 PolarHBondContact OD1-N 3.37Å; D163-R165 IonicContact OD1-NE 3.83Å; D163-R165 PolarHBondContact OD1-NE 2.67Å; D163-R165 IonicContact OD2-CZ 3.76Å; D163-R165 IonicContact OD2-NE 3.7Å; D163-R165 PolarHBondContact OD2-NE 2.04Å; D163-R165 IonicContact OD2-NH2 2.79Å; D163-R165 PolarHBondContact OD2-NH2 2.97Å
164	G	79.3	Confident	79.7	Confident	27 Å²	27	33.9 Å²	33.9	28%	0.278	20%	0.197	S	C	.	.	S	Bend	trans	74.1	10.2	-178	0	0	0	0	0	114.8	F48	F48-G164 VanDerWaalsContact CB-O 3.25Å; F48-G164 WeakPolarHBondContact CB-O 3.04Å; F48-G164 PolarHBondContact N-O 2.79Å
165	R	87.3	Confident	78.9	Confident	46 Å²	46	36.2 Å²	36.2	17%	0.174	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	141.8	169.3	-73.3	-176.8	-70.7	161.8	-3.3	111.9	E32 V45 L46 L154 D163	E32-R165 IonicContact OE1-CZ 3.2Å; E32-R165 IonicContact OE1-NH1 3.95Å; E32-R165 IonicContact OE1-NH2 3.52Å; E32-R165 PolarHBondContact OE1-NH2 3.02Å; E32-R165 IonicContact OE2-CZ 3.08Å; E32-R165 IonicContact OE2-NH1 2.78Å; E32-R165 PolarHBondContact OE2-NH1 2.9Å; E32-R165 IonicContact OE2-NH2 2.73Å; E32-R165 PolarHBondContact OE2-NH2 3.32Å; V45-R165 HydrophobicContact CG1-CB 4Å; V45-R165 HydrophobicContact CG1-CG 4.24Å; L46-R165 CarbonylContact O-C 3.55Å; L46-R165 WeakPolarHBondContact O-CA 3.47Å; L154-R165 HydrophobicContact CB-CB 3.91Å; L154-R165 VanDerWaalsContact CB-O 3.26Å; L154-R165 WeakPolarHBondContact CB-O 3.45Å; L154-R165 HydrophobicContact CD2-CB 3.62Å; L154-R165 HydrophobicContact CD2-CG 4.4Å; L154-R165 VanDerWaalsContact CD2-CZ 3.41Å; L154-R165 HydrophobicContact CG-CB 4.41Å; L154-R165 PolarHBondContact N-O 3.32Å; D163-R165 VanDerWaalsContact C-N 3.29Å; D163-R165 PolarHBondContact O-N 2.79Å; D163-R165 VanDerWaalsContact OD1-CB 3.29Å; D163-R165 WeakPolarHBondContact OD1-CB 3.34Å; D163-R165 WeakPolarHBondContact OD1-CG 3.14Å; D163-R165 PolarHBondContact OD1-N 3.37Å; D163-R165 IonicContact OD1-NE 3.83Å; D163-R165 PolarHBondContact OD1-NE 2.67Å; D163-R165 IonicContact OD2-CZ 3.76Å; D163-R165 IonicContact OD2-NE 3.7Å; D163-R165 PolarHBondContact OD2-NE 2.04Å; D163-R165 IonicContact OD2-NH2 2.79Å; D163-R165 PolarHBondContact OD2-NH2 2.97Å
166	L	88.8	Confident	77.8	Confident	4 Å²	4	37.5 Å²	37.5	2%	0.021	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.3	179.6	-53.9	176.2	0	0	0	108.6	V45 L46 F48 L51 F138 I151 E152	V45-L166 CarbonylContact C-O 3.58Å; V45-L166 VanDerWaalsContact CA-O 3.31Å; V45-L166 WeakPolarHBondContact CA-O 3.48Å; L46-L166 PolarHBondContact N-O 2.67Å; L46-L166 PolarHBondContact O-N 2.74Å; F48-L166 HydrophobicContact CB-CD1 4.41Å; F48-L166 HydrophobicContact CD2-CD1 4.49Å; L51-L166 HydrophobicContact CD1-CD1 3.8Å; L51-L166 HydrophobicContact CD2-CD1 4.33Å; L51-L166 HydrophobicContact CG-CD1 4.17Å; F138-L166 HydrophobicContact CB-CD1 4.11Å; F138-L166 HydrophobicContact CB-CD2 4.09Å; F138-L166 HydrophobicContact CD1-CD1 3.94Å; F138-L166 HydrophobicContact CG-CD1 4.37Å; F138-L166 WeakPolarHBondContact O-CD2 3.43Å; I151-L166 HydrophobicContact CG2-CB 4.3Å; I151-L166 HydrophobicContact CG2-CD1 4.45Å; E152-L166 CarbonylContact O-C 3.52Å; E152-L166 WeakPolarHBondContact O-CA 3.27Å
167	L	89.1	Confident	76.3	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	130.5	168.4	177.9	66.1	0	0	0	108.8	L36 L40 F43 V45 I151 E152 L154 F157 Y169	L36-L167 HydrophobicContact CD1-CD1 4.11Å; L36-L167 HydrophobicContact CD2-CD1 4.32Å; L36-L167 HydrophobicContact CD2-CD2 3.55Å; L40-L167 HydrophobicContact CD1-CD1 4.2Å; L40-L167 HydrophobicContact CD1-CD2 4.05Å; L40-L167 HydrophobicContact CD1-CG 4.46Å; F43-L167 HydrophobicContact CB-CD1 3.87Å; F43-L167 HydrophobicContact CD2-CD1 3.5Å; F43-L167 VanDerWaalsContact CD2-CD1 3.5Å; F43-L167 HydrophobicContact CE2-CD1 4.26Å; F43-L167 HydrophobicContact CG-CD1 3.85Å; V45-L167 HydrophobicContact CG2-CD1 4.34Å; I151-L167 WeakPolarHBondContact CA-O 3.45Å; E152-L167 PolarHBondContact N-O 3.41Å; E152-L167 PolarHBondContact O-N 3.25Å; L154-L167 HydrophobicContact CD1-CB 4.1Å; L154-L167 HydrophobicContact CD1-CD1 4.37Å; F157-L167 HydrophobicContact CD2-CD2 3.62Å; F157-L167 HydrophobicContact CE2-CD2 4Å; L167-Y169 HydrophobicContact CD2-CD1 4.09Å; L167-Y169 HydrophobicContact CD2-CE1 4.18Å; L167-Y169 HydrophobicContact CG-CD1 3.97Å; L167-Y169 HydrophobicContact CG-CE1 4.46Å
168	I	91.2	Very high	74.6	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	118.7	178.5	-55.7	-179.2	0	0	0	109.3	F43 D44 L46 F73 A75 L76 N150 I151	F43-I168 CarbonylContact C-O 3.3Å; F43-I168 VanDerWaalsContact CA-O 3.27Å; F43-I168 WeakPolarHBondContact CA-O 3.42Å; F43-I168 WeakPolarHBondContact CB-O 3.46Å; D44-I168 HydrophobicContact CB-CB 4.38Å; D44-I168 PolarHBondContact N-O 2.92Å; D44-I168 PolarHBondContact O-N 3.07Å; L46-I168 HydrophobicContact CB-CD1 4.46Å; L46-I168 HydrophobicContact CD1-CD1 3.59Å; L46-I168 HydrophobicContact CG-CD1 4.01Å; F73-I168 HydrophobicContact CD2-CD1 4.33Å; F73-I168 HydrophobicContact CE2-CD1 4.2Å; A75-I168 HydrophobicContact CB-CB 4.37Å; A75-I168 HydrophobicContact CB-CD1 3.58Å; A75-I168 HydrophobicContact CB-CG2 3.83Å; L76-I168 HydrophobicContact CD1-CG2 4.08Å; L76-I168 HydrophobicContact CG-CG2 4.23Å; N150-I168 WeakPolarHBondContact O-CA 3.4Å; I151-I168 HydrophobicContact CB-CG1 4.38Å; I151-I168 HydrophobicContact CD1-CD1 4.27Å; I151-I168 HydrophobicContact CD1-CG1 4.41Å; I151-I168 HydrophobicContact CD1-CG2 4.49Å; I151-I168 HydrophobicContact CG1-CB 4.49Å; I151-I168 HydrophobicContact CG1-CD1 4.41Å; I151-I168 HydrophobicContact CG1-CG1 4.01Å; I151-I168 HydrophobicContact CG1-CG2 4.06Å; I151-I168 HydrophobicContact CG2-CD1 4.36Å; I151-I168 HydrophobicContact CG2-CG1 3.92Å
169	Y	87.7	Confident	73.1	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	153.2	-176	64.4	-77.4	0	0	0	111.6	L40 N150 E152 L167 I174 L397	L40-Y169 HydrophobicContact CD1-CD1 4.32Å; L40-Y169 HydrophobicContact CD1-CD2 4.38Å; L40-Y169 HydrophobicContact CD1-CG 3.99Å; L40-Y169 HydrophobicContact CD2-CD2 3.54Å; L40-Y169 HydrophobicContact CD2-CE2 4.12Å; L40-Y169 HydrophobicContact CD2-CG 3.95Å; N150-Y169 HydrophobicContact CB-CD1 4.03Å; N150-Y169 HydrophobicContact CB-CD2 4.34Å; N150-Y169 HydrophobicContact CB-CE1 3.56Å; N150-Y169 HydrophobicContact CB-CE2 3.9Å; N150-Y169 HydrophobicContact CB-CG 4.41Å; N150-Y169 VanDerWaalsContact CB-CZ 3.5Å; N150-Y169 PolarHBondContact N-O 2.87Å; N150-Y169 PolarHBondContact O-N 2.91Å; E152-Y169 PolarHBondContact OE1-OH 2.84Å; L167-Y169 HydrophobicContact CD2-CD1 4.09Å; L167-Y169 HydrophobicContact CD2-CE1 4.18Å; L167-Y169 HydrophobicContact CG-CD1 3.97Å; L167-Y169 HydrophobicContact CG-CE1 4.46Å; Y169-I174 HydrophobicContact CD2-CD1 4.39Å; Y169-I174 HydrophobicContact CD2-CG1 4.13Å; Y169-I174 HydrophobicContact CE2-CD1 3.93Å; Y169-I174 HydrophobicContact CE2-CG1 4.1Å; Y169-L397 HydrophobicContact CE2-CD1 4.26Å
170	R	86.5	Confident	71.6	Confident	52 Å²	52	45.6 Å²	45.6	20%	0.196	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	150.5	171.1	-64.5	168.4	-53.2	142.9	19.4	110	L76 E148 Y149 E172 D173	L76-R170 HydrophobicContact CD1-CG 3.74Å; E148-R170 WeakPolarHBondContact O-CA 3.33Å; Y149-R170 HydrophobicContact CD1-CG 3.5Å; Y149-R170 HydrophobicContact CE1-CG 3.5Å; Y149-R170 HydrophobicContact CG-CG 4.37Å; R170-E172 HydrophobicContact CB-CG 4.2Å; R170-E172 IonicContact CZ-OE1 3.67Å; R170-E172 IonicContact NH1-OE1 2.61Å; R170-E172 PolarHBondContact NH1-OE1 3.43Å; R170-E172 IonicContact NH2-OE1 3.6Å; R170-E172 PolarHBondContact NH2-OE1 2.91Å; R170-E172 PolarHBondContact O-N 3.48Å; R170-D173 WeakPolarHBondContact CB-OD2 3.34Å; R170-D173 IonicContact CZ-OD1 2.72Å; R170-D173 IonicContact CZ-OD2 2.68Å; R170-D173 IonicContact NE-OD1 2.71Å; R170-D173 IonicContact NE-OD2 3.17Å; R170-D173 PolarHBondContact NE-OD2 3.13Å; R170-D173 VanDerWaalsContact NH2-CG 3.26Å; R170-D173 IonicContact NH2-OD1 3.64Å; R170-D173 PolarHBondContact NH2-OD1 3.03Å; R170-D173 IonicContact NH2-OD2 3.69Å; R170-D173 PolarHBondContact NH2-OD2 2.83Å; R170-D173 VanDerWaalsContact NH2-OD2 3.08Å; R170-D173 WeakPolarHBondContact O-CB 3.41Å; R170-D173 PolarHBondContact O-N 2.03Å
171	S	82.1	Confident	70.2	Confident	8 Å²	8	50.6 Å²	50.6	6%	0.056	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-13.6	173.8	-81.6	0	0	0	0	115.2	E148 N150 K399	E148-S171 PolarHBondContact O-N 2.93Å; E148-S171 WeakPolarHBondContact OE2-CB 3.03Å; E148-S171 PolarHBondContact OE2-OG 3.2Å; N150-S171 PolarHBondContact ND2-OG 2.82Å; S171-K399 PolarHBondContact O-NZ 3.28Å; S171-K399 WeakPolarHBondContact OG-CD 3.19Å; S171-K399 VanDerWaalsContact OG-CE 3.25Å; S171-K399 WeakPolarHBondContact OG-CE 3.3Å
172	E	75.6	Confident	68.5	Low	73 Å²	73	55 Å²	55	34%	0.341	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-12.9	168.5	68.3	162.9	-155.7	0	0	113.6	R170 I174 R627	R170-E172 HydrophobicContact CB-CG 4.2Å; R170-E172 IonicContact CZ-OE1 3.67Å; R170-E172 IonicContact NH1-OE1 2.61Å; R170-E172 PolarHBondContact NH1-OE1 3.43Å; R170-E172 IonicContact NH2-OE1 3.6Å; R170-E172 PolarHBondContact NH2-OE1 2.91Å; R170-E172 PolarHBondContact O-N 3.48Å; E172-I174 VanDerWaalsContact C-N 3.34Å; E172-R627 IonicContact OE1-NH1 2.73Å; E172-R627 IonicContact OE2-NH1 3.97Å; E172-R627 IonicContact OE2-NH2 3.73Å; E172-R627 PolarHBondContact OE2-NH2 3.29Å
173	D	80.4	Confident	66.9	Low	10 Å²	10	52.1 Å²	52.1	5%	0.053	25%	0.253	C	S	.	.	S	Bend	trans	-90.8	9.9	-179.5	-67.4	-42.3	0	0	0	113	L40 D41 N42 R170	L40-D173 CarbonylContact C-O 3.51Å; L40-D173 VanDerWaalsContact CA-O 3.32Å; L40-D173 WeakPolarHBondContact CA-O 3.44Å; D41-D173 PolarHBondContact N-O 2.86Å; N42-D173 HydrophobicContact CB-CB 4.32Å; N42-D173 PolarHBondContact ND2-OD2 3.31Å; N42-D173 WeakPolarHBondContact O-CB 3.04Å; R170-D173 WeakPolarHBondContact CB-OD2 3.34Å; R170-D173 IonicContact CZ-OD1 2.72Å; R170-D173 IonicContact CZ-OD2 2.68Å; R170-D173 IonicContact NE-OD1 2.71Å; R170-D173 IonicContact NE-OD2 3.17Å; R170-D173 PolarHBondContact NE-OD2 3.13Å; R170-D173 VanDerWaalsContact NH2-CG 3.26Å; R170-D173 IonicContact NH2-OD1 3.64Å; R170-D173 PolarHBondContact NH2-OD1 3.03Å; R170-D173 IonicContact NH2-OD2 3.69Å; R170-D173 PolarHBondContact NH2-OD2 2.83Å; R170-D173 VanDerWaalsContact NH2-OD2 3.08Å; R170-D173 WeakPolarHBondContact O-CB 3.41Å; R170-D173 PolarHBondContact O-N 2.03Å
174	I	74.9	Confident	65.2	Low	25 Å²	25	49.9 Å²	49.9	13%	0.128	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-85.9	127	-176.7	-61.2	175.1	0	0	0	111.4	L40 Y169 E172 L397 K399	L40-I174 HydrophobicContact CD2-CG1 3.9Å; Y169-I174 HydrophobicContact CD2-CD1 4.39Å; Y169-I174 HydrophobicContact CD2-CG1 4.13Å; Y169-I174 HydrophobicContact CE2-CD1 3.93Å; Y169-I174 HydrophobicContact CE2-CG1 4.1Å; E172-I174 VanDerWaalsContact C-N 3.34Å; I174-L397 HydrophobicContact CB-CD1 4.46Å; I174-L397 HydrophobicContact CD1-CD1 4.03Å; I174-L397 HydrophobicContact CG1-CD1 3.95Å; I174-L397 HydrophobicContact CG2-CD1 3.77Å; I174-K399 HydrophobicContact CD1-CB 4.46Å; I174-K399 HydrophobicContact CD1-CD 3.31Å
175	R	67.3	Low	63.7	Low	50 Å²	50	53.1 Å²	53.1	19%	0.189	26%	0.258	C	S	.	.			trans	-76.2	129.7	178	-72.7	177.2	162	-177.4	1.4	110.6	R37 S38 M39 D41 I177	R37-R175 WeakPolarHBondContact O-CD 3.44Å; R37-R175 PolarHBondContact O-NH1 2.99Å; S38-R175 WeakPolarHBondContact O-CD 3.32Å; M39-R175 WeakPolarHBondContact O-CB 3.5Å; M39-R175 PolarHBondContact O-N 3.25Å; D41-R175 IonicContact OD1-CZ 3.6Å; D41-R175 IonicContact OD1-NE 2.71Å; D41-R175 PolarHBondContact OD1-NE 3.39Å; D41-R175 IonicContact OD1-NH2 2.75Å; D41-R175 PolarHBondContact OD1-NH2 2.82Å; D41-R175 WeakPolarHBondContact OD2-CG 3.32Å; D41-R175 IonicContact OD2-CZ 2.74Å; D41-R175 IonicContact OD2-NE 3.15Å; D41-R175 PolarHBondContact OD2-NE 3.22Å; D41-R175 IonicContact OD2-NH2 3.33Å; R175-I177 HydrophobicContact CB-CG1 4.45Å; R175-I177 PolarHBondContact O-N 3.04Å
176	N	56.8	Low	61.6	Low	44 Å²	44	51.9 Å²	51.9	24%	0.235	26%	0.256	C	S	.	.			trans	-78.7	62.6	-176.5	-151.3	-40.9	0	0	0	111.8	S178 R179 S443	N176-S178 VanDerWaalsContact C-N 3.28Å; N176-S178 PolarHBondContact O-N 3.03Å; N176-R179 PolarHBondContact O-N 3.3Å; N176-R179 WeakPolarHBondContact OD1-CD 3.01Å; N176-R179 VanDerWaalsContact OD1-CG 3.23Å; N176-R179 WeakPolarHBondContact OD1-CG 3.44Å; N176-S443 WeakPolarHBondContact ND2-CB 3.46Å; N176-S443 PolarHBondContact ND2-OG 3.26Å
177	I	47.3	Very low	59.6	Low	51 Å²	51	53.2 Å²	53.2	26%	0.262	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-61.1	-39.8	178.8	-61	172.1	0	0	0	110.4	S38 M39 R175 R179 L180	S38-I177 WeakPolarHBondContact O-CD1 3.25Å; M39-I177 HydrophobicContact CB-CD1 4.24Å; M39-I177 HydrophobicContact CG-CD1 3.62Å; R175-I177 HydrophobicContact CB-CG1 4.45Å; R175-I177 PolarHBondContact O-N 3.04Å; I177-R179 PolarHBondContact O-N 3.31Å; I177-L180 WeakPolarHBondContact O-CB 3.46Å; I177-L180 PolarHBondContact O-N 3.22Å
178	S	40.6	Very low	57.6	Low	21 Å²	21	56.8 Å²	56.8	15%	0.147	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-65	3.5	-175.9	-35.3	0	0	0	0	114.1	N176 P183 E400	N176-S178 VanDerWaalsContact C-N 3.28Å; N176-S178 PolarHBondContact O-N 3.03Å; S178-P183 WeakPolarHBondContact O-CG 3.4Å; S178-E400 PolarHBondContact OG-OE1 2.86Å
179	R	41.8	Very low	55.8	Low	142 Å²	142	57 Å²	57	54%	0.536	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-108.2	-11.4	168.7	-78.6	179.6	175.9	-155.6	-10.9	115.4	N176 I177 E429	N176-R179 PolarHBondContact O-N 3.3Å; N176-R179 WeakPolarHBondContact OD1-CD 3.01Å; N176-R179 VanDerWaalsContact OD1-CG 3.23Å; N176-R179 WeakPolarHBondContact OD1-CG 3.44Å; I177-R179 PolarHBondContact O-N 3.31Å; R179-E429 IonicContact CZ-OE1 3.08Å; R179-E429 IonicContact NH1-OE1 3.49Å; R179-E429 PolarHBondContact NH1-OE1 2.92Å; R179-E429 IonicContact NH2-OE1 2.9Å; R179-E429 PolarHBondContact NH2-OE1 3.44Å
180	L	36.6	Very low	54.2	Low	130 Å²	130	58.3 Å²	58.3	68%	0.681	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-19.5	-175.3	-68.8	174	0	0	0	113.4	I177	I177-L180 WeakPolarHBondContact O-CB 3.46Å; I177-L180 PolarHBondContact O-N 3.22Å
181	Q	38.6	Very low	52.3	Low	117 Å²	117	56.1 Å²	56.1	55%	0.547	29%	0.29	S	S	.	.	S	Bend	trans	-120.2	146.1	158.7	-63.2	-176.3	-3.9	0	0	106.4	P183 Y392	Q181-P183 WeakPolarHBondContact O-CD 3.45Å; Q181-Y392 HydrophobicContact CB-CE2 4.43Å
182	Q	33.4	Very low	50.4	Low	189 Å²	189	60.9 Å²	60.9	88%	0.883	31%	0.311	S	S	*	.			trans	-75.7	113.9	175.6	-67.8	-178.9	-50.4	0	0	108
183	P	40.3	Very low	48.6	Very low	22 Å²	22	59.2 Å²	59.2	14%	0.143	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-64.9	148	167.3	-12.1	30	0	0	0	107.9	S178 Q181 I440	S178-P183 WeakPolarHBondContact O-CG 3.4Å; Q181-P183 WeakPolarHBondContact O-CD 3.45Å; P183-I440 HydrophobicContact CB-CG2 4.38Å; P183-I440 HydrophobicContact CG-CG2 3.95Å
184	S	42.9	Very low	46.4	Very low	35 Å²	35	62 Å²	62	25%	0.245	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-68.1	167.1	165.6	67.3	0	0	0	0	110.6	C186 E346	S184-C186 PolarHBondContact O-N 2.04Å; S184-E346 WeakPolarHBondContact CB-OE2 3.2Å; S184-E346 PolarHBondContact N-O 2.94Å; S184-E346 WeakPolarHBondContact OG-CB 3.4Å; S184-E346 PolarHBondContact OG-OE2 2.94Å
185	V	48.1	Very low	44.7	Very low	96 Å²	96	68.3 Å²	68.3	58%	0.582	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-63.3	125.5	172.9	159.9	0	0	0	0	108	G187 P439	V185-G187 PolarHBondContact O-N 3.29Å; V185-P439 HydrophobicContact CG1-CB 3.84Å; V185-P439 HydrophobicContact CG2-CB 4.34Å
186	C	43.9	Very low	43.5	Very low	20 Å²	20	68.3 Å²	68.3	14%	0.135	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-51.4	139.8	177.4	-167.6	0	0	0	0	110.4	S184 H417 P439	S184-C186 PolarHBondContact O-N 2.04Å; C186-H417 PolarHBondContact O-CE1 3.06Å; C186-P439 PolarHBondContact N-O 2.9Å
187	G	47.2	Very low	43.1	Very low	31 Å²	31	66.8 Å²	66.8	32%	0.32	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-81	153.3	177	0	0	0	0	0	111.9	V185 L351	V185-G187 PolarHBondContact O-N 3.29Å; G187-L351 VanDerWaalsContact O-CD1 3.23Å; G187-L351 WeakPolarHBondContact O-CD1 3.04Å
188	Y	45.8	Very low	43.4	Very low	75 Å²	75	65.5 Å²	65.5	29%	0.294	35%	0.351	S	S	.	.			trans	-147.8	150.4	161.8	67.6	-87.8	0	0	0	110.9	A190 V354 H411 E416 H417	Y188-A190 HydrophobicContact CD2-CB 4.15Å; Y188-A190 HydrophobicContact CE2-CB 3.9Å; Y188-V354 HydrophobicContact CD2-CB 4.35Å; Y188-V354 HydrophobicContact CD2-CG2 3.43Å; Y188-V354 VanDerWaalsContact CD2-CG2 3.43Å; Y188-V354 HydrophobicContact CE2-CG2 4.2Å; Y188-V354 HydrophobicContact CG-CG2 4.06Å; Y188-H411 AromaticContact CD1-CE1 3.9Å; Y188-H411 AromaticContact CG-CE1 3.84Å; Y188-E416 HydrophobicContact CE2-CB 4.4Å; Y188-E416 HydrophobicContact CE2-CG 3.95Å; Y188-H417 AromaticContact CD1-CE1 3.47Å; Y188-H417 VanDerWaalsContact CD1-CE1 3.47Å; Y188-H417 WeakPolarHBondContact CD1-CE1 3.39Å; Y188-H417 AromaticContact CD1-ND1 3.39Å; Y188-H417 WeakPolarHBondContact CD1-ND1 3.26Å; Y188-H417 AromaticContact CE1-CE1 3.98Å; Y188-H417 AromaticContact CE1-ND1 3.4Å; Y188-H417 WeakPolarHBondContact CE1-ND1 3.45Å
189	V	54.7	Low	43.9	Very low	6 Å²	6	71.7 Å²	71.7	4%	0.036	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	97.2	-178.6	-169.8	0	0	0	0	110.5	S191 L319 L351 A352 Y353 V354	V189-S191 PolarHBondContact O-N 3.38Å; V189-L319 HydrophobicContact CG2-CD2 4.47Å; V189-L351 HydrophobicContact CG2-CD1 4.41Å; V189-L351 HydrophobicContact CG2-CD2 4.39Å; V189-L351 HydrophobicContact CG2-CG 4.5Å; V189-A352 PolarHBondContact N-O 3.14Å; V189-Y353 HydrophobicContact CB-CD1 3.66Å; V189-Y353 HydrophobicContact CB-CE1 3.86Å; V189-Y353 HydrophobicContact CB-CG 4.49Å; V189-Y353 HydrophobicContact CG1-CD1 3.72Å; V189-Y353 HydrophobicContact CG1-CE1 3.6Å; V189-Y353 HydrophobicContact CG2-CD1 4.43Å; V189-Y353 HydrophobicContact CG2-CE1 4.28Å; V189-V354 PolarHBondContact O-N 3.04Å; V189-V354 VanDerWaalsContact O-N 3.12Å
190	A	53.7	Low	44.2	Very low	27 Å²	27	65.5 Å²	65.5	22%	0.223	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	109.8	178.1	0	0	0	0	0	112.1	Y188 E192 S193	Y188-A190 HydrophobicContact CD2-CB 4.15Å; Y188-A190 HydrophobicContact CE2-CB 3.9Å; A190-E192 PolarHBondContact O-N 2.9Å; A190-E192 VanDerWaalsContact O-N 3.13Å; A190-S193 PolarHBondContact O-N 2.65Å; A190-S193 PolarHBondContact O-OG 3.23Å
191	S	46.7	Very low	44.9	Very low	7 Å²	7	59.5 Å²	59.5	5%	0.049	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.3	-178.6	-172.7	0	0	0	0	114.7	V189 S193 P362	V189-S191 PolarHBondContact O-N 3.38Å; S191-S193 PolarHBondContact O-N 2.84Å; S191-P362 VanDerWaalsContact CB-O 3.24Å; S191-P362 WeakPolarHBondContact CB-O 3.45Å; S191-P362 PolarHBondContact OG-O 3.24Å
192	E	41.8	Very low	45.5	Very low	107 Å²	107	57.4 Å²	57.4	50%	0.5	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-9.9	177	-57.4	-169.5	-170	0	0	112.8	A190 P356 N357	A190-E192 PolarHBondContact O-N 2.9Å; A190-E192 VanDerWaalsContact O-N 3.13Å; E192-P356 HydrophobicContact CG-CB 4.22Å; E192-N357 WeakPolarHBondContact OE1-CB 3.47Å; E192-N357 PolarHBondContact OE1-N 3.32Å; E192-N357 PolarHBondContact OE1-ND2 3.14Å
193	S	38.8	Very low	45.9	Very low	39 Å²	39	53.1 Å²	53.1	27%	0.273	30%	0.3	S	S	.	.			trans	-92.5	98.3	172.7	68	0	0	0	0	111.9	A190 S191 H195 L196	A190-S193 PolarHBondContact O-N 2.65Å; A190-S193 PolarHBondContact O-OG 3.23Å; S191-S193 PolarHBondContact O-N 2.84Å; S193-H195 PolarHBondContact O-N 3.47Å; S193-L196 PolarHBondContact O-N 2.68Å; S193-L196 WeakPolarHBondContact OG-CB 3.5Å; S193-L196 WeakPolarHBondContact OG-CD1 3.18Å; S193-L196 WeakPolarHBondContact OG-CG 3.19Å
194	A	34.3	Very low	46	Very low	69 Å²	69	54.5 Å²	54.5	57%	0.57	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-9	179.9	0	0	0	0	0	114.9
195	H	38.1	Very low	46	Very low	157 Å²	157	56.4 Å²	56.4	73%	0.727	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-9.1	176.6	-66.8	-78.9	0	0	0	114.6	S193 R202	S193-H195 PolarHBondContact O-N 3.47Å; H195-R202 VanDerWaalsContact C-NH2 3.31Å; H195-R202 PolarHBondContact O-NH2 3.19Å
196	L	41.5	Very low	45.6	Very low	49 Å²	49	59.7 Å²	59.7	26%	0.257	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-16.6	-177.2	-62	-174.6	0	0	0	115.7	S193 K316	S193-L196 PolarHBondContact O-N 2.68Å; S193-L196 WeakPolarHBondContact OG-CB 3.5Å; S193-L196 WeakPolarHBondContact OG-CD1 3.18Å; S193-L196 WeakPolarHBondContact OG-CG 3.19Å; L196-K316 PolarHBondContact O-NZ 3.29Å
197	L	48.8	Very low	45.1	Very low	12 Å²	12	61.5 Å²	61.5	6%	0.063	35%	0.353	C	S	.	.	S	Bend	trans	-62.8	151.9	171.8	-66	175.3	0	0	0	111.8	V201 R202 L382	L197-V201 HydrophobicContact CD1-CG1 4.49Å; L197-R202 HydrophobicContact CB-CG 4.35Å; L197-R202 PolarHBondContact O-NE 3.4Å; L197-R202 PolarHBondContact O-NH2 2.97Å; L197-L382 HydrophobicContact CD2-CD1 4.32Å
198	P	54.5	Low	44.6	Very low	24 Å²	24	67.1 Å²	67.1	16%	0.156	38%	0.375	C	S	.	.			trans	-58	142.8	173.1	-25.3	35.4	0	0	0	112.4	G200 V201 R202 E320 I380	P198-G200 VanDerWaalsContact C-N 3.33Å; P198-G200 PolarHBondContact O-N 3.46Å; P198-V201 HydrophobicContact CB-CG2 4.4Å; P198-V201 WeakPolarHBondContact O-CB 3.5Å; P198-V201 PolarHBondContact O-N 3.2Å; P198-R202 PolarHBondContact O-N 2.64Å; P198-E320 HydrophobicContact CG-CG 4.35Å; P198-I380 HydrophobicContact CG-CD1 4.27Å
199	E	50.1	Low	43.9	Very low	152 Å²	152	71.9 Å²	71.9	71%	0.71	40%	0.4	S	S	*	.	H	α-helix	trans	-58.4	-38.9	-168	-65.1	-163.8	123.3	0	0	114	V201 R202 T203	E199-V201 PolarHBondContact O-N 2.99Å; E199-R202 WeakPolarHBondContact O-CB 3.45Å; E199-R202 PolarHBondContact O-N 2.83Å; E199-R202 VanDerWaalsContact O-N 3.1Å; E199-T203 PolarHBondContact O-N 3.25Å
200	G	49.6	Very low	42.7	Very low	12 Å²	12	80 Å²	80	12%	0.124	44%	0.438	C	S	.	.	H	α-helix	trans	-61.5	-27.7	176.8	0	0	0	0	0	114.5	P198 T203	P198-G200 VanDerWaalsContact C-N 3.33Å; P198-G200 PolarHBondContact O-N 3.46Å; G200-T203 PolarHBondContact O-OG1 3.4Å
201	V	50.7	Low	41.8	Very low	4 Å²	4	87.7 Å²	87.7	2%	0.024	47%	0.469	C	S	.	.	H	α-helix	trans	-77.6	-32.2	176.6	-176.2	0	0	0	0	111	L197 P198 E199 T203 A204 T205 I380	L197-V201 HydrophobicContact CD1-CG1 4.49Å; P198-V201 HydrophobicContact CB-CG2 4.4Å; P198-V201 WeakPolarHBondContact O-CB 3.5Å; P198-V201 PolarHBondContact O-N 3.2Å; E199-V201 PolarHBondContact O-N 2.99Å; V201-T203 VanDerWaalsContact C-N 3.28Å; V201-T203 PolarHBondContact O-N 3.49Å; V201-A204 PolarHBondContact O-N 3.05Å; V201-T205 PolarHBondContact O-N 3.46Å; V201-T205 VanDerWaalsContact O-N 3.1Å; V201-T205 PolarHBondContact O-OG1 3.28Å; V201-I380 HydrophobicContact CG2-CG2 4.02Å
202	R	50.6	Low	40.9	Very low	72 Å²	72	91.5 Å²	91.5	27%	0.272	50%	0.496	S	S	.	.	H	α-helix	trans	-65	-31.5	176.5	-53.2	179	-163	-168.4	-3.2	112.3	H195 L197 P198 E199	H195-R202 VanDerWaalsContact C-NH2 3.31Å; H195-R202 PolarHBondContact O-NH2 3.19Å; L197-R202 HydrophobicContact CB-CG 4.35Å; L197-R202 PolarHBondContact O-NE 3.4Å; L197-R202 PolarHBondContact O-NH2 2.97Å; P198-R202 PolarHBondContact O-N 2.64Å; E199-R202 WeakPolarHBondContact O-CB 3.45Å; E199-R202 PolarHBondContact O-N 2.83Å; E199-R202 VanDerWaalsContact O-N 3.1Å
203	T	42.9	Very low	40.4	Very low	99 Å²	99	92.4 Å²	92.4	61%	0.607	51%	0.508	S	S	*	.	H	α-helix	trans	-73.8	-30.1	175.8	33.6	0	0	0	0	113.3	E199 G200 V201	E199-T203 PolarHBondContact O-N 3.25Å; G200-T203 PolarHBondContact O-OG1 3.4Å; V201-T203 VanDerWaalsContact C-N 3.28Å; V201-T203 PolarHBondContact O-N 3.49Å
204	A	42.4	Very low	40.1	Very low	51 Å²	51	99.4 Å²	99.4	42%	0.421	53%	0.534	S	S	.	.	H	α-helix	trans	-76.3	-45.4	175.7	0	0	0	0	0	111.8	V201 K206 G207	V201-A204 PolarHBondContact O-N 3.05Å; A204-K206 PolarHBondContact O-N 2.78Å; A204-K206 VanDerWaalsContact O-N 3.14Å; A204-G207 PolarHBondContact O-N 2.89Å; A204-G207 VanDerWaalsContact O-N 3.09Å
205	T	42	Very low	40.3	Very low	75 Å²	75	107.6 Å²	107.6	46%	0.46	55%	0.55	S	S	.	*	H	α-helix	trans	-68.1	-11.4	-176.7	36.5	0	0	0	0	115.1	V201	V201-T205 PolarHBondContact O-N 3.46Å; V201-T205 VanDerWaalsContact O-N 3.1Å; V201-T205 PolarHBondContact O-OG1 3.28Å
206	K	39.9	Very low	40.4	Very low	166 Å²	166	103.4 Å²	103.4	72%	0.722	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	0.5	172.7	-75.9	-172.9	172.8	-171.2	0	114.7	A204	A204-K206 PolarHBondContact O-N 2.78Å; A204-K206 VanDerWaalsContact O-N 3.14Å
207	G	34	Very low	40.5	Very low	58 Å²	58	110.4 Å²	110.4	60%	0.598	58%	0.578	S	S	*	*	S	Bend	trans	-78.1	-36.5	178.4	0	0	0	0	0	114	A204	A204-G207 PolarHBondContact O-N 2.89Å; A204-G207 VanDerWaalsContact O-N 3.09Å
208	D	35.5	Very low	40.4	Very low	149 Å²	149	121.7 Å²	121.7	80%	0.797	62%	0.619	S	S	*	*			trans	-113.8	45.6	-162.2	-60.5	-43.1	0	0	0	113.4	E210	D208-E210 PolarHBondContact O-N 3.27Å
209	E	30.5	Very low	40.5	Very low	175 Å²	175	127.6 Å²	127.6	82%	0.818	65%	0.645	S	S	*	*			trans	-79.1	42.4	172	-69.6	-167.8	170.4	0	0	113.2
210	E	30.4	Very low	41	Very low	176 Å²	176	127 Å²	127	82%	0.822	65%	0.651	S	S	*	*	S	Bend	trans	-102.3	122	163.6	-73.7	-159.3	157.9	0	0	110.6	D208 S212	D208-E210 PolarHBondContact O-N 3.27Å; E210-S212 VanDerWaalsContact C-N 3.27Å; E210-S212 PolarHBondContact O-N 2.83Å
211	E	34.4	Very low	42	Very low	189 Å²	189	127.5 Å²	127.5	88%	0.883	65%	0.652	S	S	*	*			trans	-69.4	74.4	-179.6	-73.1	-164.7	114.7	0	0	113.2	V213	E211-V213 VanDerWaalsContact C-N 3.34Å; E211-V213 PolarHBondContact O-N 3.08Å
212	S	28.1	Very low	43.5	Very low	87 Å²	87	130.6 Å²	130.6	61%	0.608	67%	0.669	S	S	*	*			trans	-73.5	88.4	164.5	62.9	0	0	0	0	110	E210 F214	E210-S212 VanDerWaalsContact C-N 3.27Å; E210-S212 PolarHBondContact O-N 2.83Å; S212-F214 PolarHBondContact O-N 2.73Å
213	V	31.8	Very low	45.1	Very low	126 Å²	126	130.7 Å²	130.7	76%	0.764	67%	0.672	S	S	*	*			trans	-69	75.8	175.3	-174.6	0	0	0	0	110	E211 R215	E211-V213 VanDerWaalsContact C-N 3.34Å; E211-V213 PolarHBondContact O-N 3.08Å; V213-R215 PolarHBondContact O-N 2.9Å
214	F	32.4	Very low	46.9	Very low	185 Å²	185	131.9 Å²	131.9	81%	0.811	67%	0.668	S	S	*	*			trans	-65.8	99.9	174.2	-96.2	-83.3	0	0	0	109.4	S212 G216	S212-F214 PolarHBondContact O-N 2.73Å; F214-G216 PolarHBondContact O-N 2.67Å
215	R	37.4	Very low	49.2	Very low	242 Å²	242	133.8 Å²	133.8	91%	0.913	67%	0.667	S	S	*	*			trans	-70.8	74.2	179.5	-162.9	177.3	-167.6	172.3	4.6	110.2	V213 K217	V213-R215 PolarHBondContact O-N 2.9Å; R215-K217 PolarHBondContact O-N 3.49Å
216	G	41.4	Very low	51.5	Low	68 Å²	68	131.5 Å²	131.5	70%	0.701	65%	0.652	S	S	*	*			trans	-50.5	125.8	-175.8	0	0	0	0	0	111.6	F214	F214-G216 PolarHBondContact O-N 2.67Å
217	K	43.2	Very low	54	Low	197 Å²	197	123.6 Å²	123.6	86%	0.857	62%	0.618	S	S	*	*			trans	-59.5	139.6	167.5	-71.4	179.4	176.6	176.8	0	107.8	R215 Q219	R215-K217 PolarHBondContact O-N 3.49Å; K217-Q219 PolarHBondContact O-N 3.41Å
218	R	47.1	Very low	56.9	Low	249 Å²	249	120.8 Å²	120.8	94%	0.94	59%	0.589	S	S	*	*			trans	-56.2	102.4	164	-93.4	-176.5	166.4	-176.8	-6.8	107.9	V220	R218-V220 PolarHBondContact O-N 2.03Å
219	Q	55.6	Low	59.7	Low	147 Å²	147	113.9 Å²	113.9	69%	0.687	55%	0.552	S	S	*	*			trans	-78	112.6	174	-170.1	167.4	-2.6	0	0	106.7	K217 T221	K217-Q219 PolarHBondContact O-N 3.41Å; Q219-T221 PolarHBondContact O-N 3.47Å; Q219-T221 VanDerWaalsContact O-N 3.13Å
220	V	61.2	Low	62.8	Low	139 Å²	139	105.5 Å²	105.5	84%	0.842	51%	0.513	S	S	*	.			trans	-61.6	118.1	175.3	-180	0	0	0	0	106.8	R218	R218-V220 PolarHBondContact O-N 2.03Å
221	T	69.6	Low	65.9	Low	23 Å²	23	97.2 Å²	97.2	14%	0.141	47%	0.474	C	S	.	.			trans	-77.8	126.4	-179.9	-64	0	0	0	0	108.3	Q219 H223 F274	Q219-T221 PolarHBondContact O-N 3.47Å; Q219-T221 VanDerWaalsContact O-N 3.13Å; T221-H223 PolarHBondContact O-CD2 2.96Å; T221-H223 PolarHBondContact O-N 2.82Å; T221-F274 HydrophobicContact CG2-CE1 4.23Å; T221-F274 HydrophobicContact CG2-CZ 4.26Å
222	D	82.3	Confident	68.9	Low	70 Å²	70	88.2 Å²	88.2	37%	0.374	43%	0.432	S	S	.	.			trans	-79.4	96.5	172.8	179.6	10.1	0	0	0	108.5	K224 K225	D222-K224 PolarHBondContact O-N 2.79Å; D222-K224 VanDerWaalsContact O-N 3.12Å; D222-K224 WeakPolarHBondContact OD1-CB 3.33Å; D222-K224 PolarHBondContact OD1-N 2.79Å; D222-K225 HydrophobicContact CB-CD 4.35Å; D222-K225 HydrophobicContact CB-CG 4.37Å; D222-K225 WeakPolarHBondContact O-CA 3.39Å; D222-K225 WeakPolarHBondContact O-CB 3.35Å; D222-K225 PolarHBondContact O-N 3.18Å; D222-K225 VanDerWaalsContact OD2-CE 3.25Å; D222-K225 WeakPolarHBondContact OD2-CE 3.47Å; D222-K225 IonicContact OD2-NZ 3.92Å
223	H	84	Confident	72.3	Confident	74 Å²	74	84.1 Å²	84.1	34%	0.343	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-8.4	-174.7	-66.6	-84.7	0	0	0	114	T221 K225 E273 F274 Y277	T221-H223 PolarHBondContact O-CD2 2.96Å; T221-H223 PolarHBondContact O-N 2.82Å; H223-K225 PolarHBondContact O-N 2.03Å; H223-E273 PolarHBondContact CE1-O 3.36Å; H223-E273 PolarHBondContact ND1-O 2.03Å; H223-F274 AromaticContact CE1-CE1 3.97Å; H223-F274 AromaticContact CE1-CE2 3.75Å; H223-F274 AromaticContact CE1-CZ 3.61Å; H223-Y277 PolarHBondContact ND1-OH 3.42Å
224	K	82.6	Confident	75.4	Confident	123 Å²	123	78.1 Å²	78.1	54%	0.535	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-33	163.5	-69.7	163.1	142.4	-87.8	0	111.5	D222 N226 E474	D222-K224 PolarHBondContact O-N 2.79Å; D222-K224 VanDerWaalsContact O-N 3.12Å; D222-K224 WeakPolarHBondContact OD1-CB 3.33Å; D222-K224 PolarHBondContact OD1-N 2.79Å; K224-N226 PolarHBondContact O-N 3.17Å; K224-E474 HydrophobicContact CB-CG 4.09Å; K224-E474 IonicContact NZ-OE1 2.66Å; K224-E474 PolarHBondContact NZ-OE1 3.01Å; K224-E474 IonicContact NZ-OE2 3.98Å; K224-E474 WeakPolarHBondContact O-CA 3.05Å
225	K	88.9	Confident	78.5	Confident	91 Å²	91	69.3 Å²	69.3	40%	0.396	33%	0.329	S	S	.	.			trans	-82.8	66.6	179.3	-58.5	-175.6	-177.9	177	0	110.6	D222 H223 F472 K473 E474	D222-K225 HydrophobicContact CB-CD 4.35Å; D222-K225 HydrophobicContact CB-CG 4.37Å; D222-K225 WeakPolarHBondContact O-CA 3.39Å; D222-K225 WeakPolarHBondContact O-CB 3.35Å; D222-K225 PolarHBondContact O-N 3.18Å; D222-K225 VanDerWaalsContact OD2-CE 3.25Å; D222-K225 WeakPolarHBondContact OD2-CE 3.47Å; D222-K225 IonicContact OD2-NZ 3.92Å; H223-K225 PolarHBondContact O-N 2.03Å; K225-F472 HydrophobicContact CB-CB 4.41Å; K225-F472 VanDerWaalsContact O-CB 3.29Å; K225-F472 WeakPolarHBondContact O-CB 3.49Å; K225-K473 CarbonylContact C-O 3.56Å; K225-K473 VanDerWaalsContact CA-O 3.3Å; K225-K473 WeakPolarHBondContact CA-O 3.35Å; K225-E474 HydrophobicContact CG-CB 4.37Å
226	N	90.6	Very high	81.2	Confident	27 Å²	27	58.6 Å²	58.6	14%	0.144	29%	0.289	C	S	.	.			trans	-98.4	0.7	-175.5	69.7	14.7	0	0	0	113.7	K224 R266 G276 Y277 G278 K473	K224-N226 PolarHBondContact O-N 3.17Å; N226-R266 PolarHBondContact OD1-NH1 2.78Å; N226-G276 PolarHBondContact ND2-O 3.48Å; N226-Y277 HydrophobicContact CB-CD1 4.13Å; N226-Y277 HydrophobicContact CB-CD2 4.1Å; N226-Y277 HydrophobicContact CB-CE1 4.22Å; N226-Y277 HydrophobicContact CB-CE2 4.18Å; N226-Y277 HydrophobicContact CB-CG 4.05Å; N226-Y277 CarbonylContact O-C 3.56Å; N226-Y277 VanDerWaalsContact O-CA 3.24Å; N226-Y277 WeakPolarHBondContact O-CA 2.99Å; N226-G278 PolarHBondContact O-N 3.05Å; N226-K473 PolarHBondContact N-O 3.23Å
227	T	92.6	Very high	83.8	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126	-170.3	-67.5	0	0	0	0	113.5	P229 R266 Q280 F472 K473 R475	T227-P229 VanDerWaalsContact O-CD 3.25Å; T227-P229 WeakPolarHBondContact O-CD 3.25Å; T227-R266 PolarHBondContact OG1-NH1 3.36Å; T227-R266 PolarHBondContact OG1-NH2 2.87Å; T227-Q280 HydrophobicContact CG2-CB 3.36Å; T227-Q280 HydrophobicContact CG2-CG 4.36Å; T227-F472 CarbonylContact O-C 3.51Å; T227-F472 WeakPolarHBondContact O-CA 3.42Å; T227-K473 PolarHBondContact N-O 3.04Å; T227-K473 VanDerWaalsContact N-O 3.16Å; T227-K473 PolarHBondContact O-N 3.12Å; T227-R475 WeakPolarHBondContact OG1-CB 3.47Å
228	C	95.4	Very high	86.2	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	104.1	177.8	175.5	0	0	0	0	110.6	G278 V279 Q280 C334 F413 F472	C228-G278 WeakPolarHBondContact CB-O 3.25Å; C228-G278 PolarHBondContact N-O 3.4Å; C228-V279 HydrophobicContact CB-CG1 4.17Å; C228-V279 CarbonylContact O-C 3.48Å; C228-V279 VanDerWaalsContact O-CA 3.3Å; C228-V279 WeakPolarHBondContact O-CA 3.47Å; C228-Q280 PolarHBondContact O-N 3.22Å; C228-C334 VanDerWaalsContact CA-SG 3.58Å; C228-C334 HydrophobicContact CB-CB 3.93Å; C228-C334 WeakPolarHBondContact CB-SG 3.03Å; C228-C334 WeakPolarHBondContact SG-CB 3.29Å; C228-C334 CovalentContact SG-SG 2.04Å; C228-C334 PolarHBondContact SG-SG 3.25Å; C228-F413 HydrophobicContact CB-CZ 4.3Å; C228-F472 HydrophobicContact CB-CD1 4.28Å; C228-F472 HydrophobicContact CB-CE1 3.78Å; C228-F472 HydrophobicContact CB-CE2 4.16Å; C228-F472 HydrophobicContact CB-CZ 3.73Å
229	P	94.7	Very high	88.4	Confident	3 Å²	3	35.9 Å²	35.9	2%	0.019	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	130.4	178	26.7	-36.3	0	0	0	112.6	T92 T227 Q280 Q282 C334 K473	T92-P229 HydrophobicContact CG2-CB 4.37Å; T227-P229 VanDerWaalsContact O-CD 3.25Å; T227-P229 WeakPolarHBondContact O-CD 3.25Å; P229-Q280 CarbonylContact C-O 3.43Å; P229-Q280 WeakPolarHBondContact CA-O 3.43Å; P229-Q282 HydrophobicContact CB-CB 3.96Å; P229-C334 HydrophobicContact CG-CB 3.99Å; P229-C334 VanDerWaalsContact O-CB 3.26Å; P229-C334 WeakPolarHBondContact O-CB 3.01Å; P229-C334 PolarHBondContact O-N 2.9Å; P229-K473 HydrophobicContact CB-CD 4.33Å; P229-K473 HydrophobicContact CG-CD 3.94Å; P229-K473 HydrophobicContact CG-CG 4.32Å
230	M	95	Very high	90	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	146.8	-175.1	-67	-171.9	71.5	0	0	114.2	L232 I258 V279 Q280 Q282 Q283 L335 H337 L409	M230-L232 HydrophobicContact CB-CD2 4.05Å; M230-L232 HydrophobicContact CE-CD2 3.87Å; M230-L232 HydrophobicContact SD-CD2 4.42Å; M230-I258 HydrophobicContact SD-CD1 4.46Å; M230-V279 HydrophobicContact CG-CB 4.12Å; M230-V279 HydrophobicContact CG-CG1 4.26Å; M230-V279 HydrophobicContact SD-CB 3.67Å; M230-V279 HydrophobicContact SD-CG1 3.72Å; M230-V279 HydrophobicContact SD-CG2 4.08Å; M230-Q280 PolarHBondContact N-O 2.95Å; M230-Q282 PolarHBondContact O-N 3.39Å; M230-Q283 PolarHBondContact O-N 2.82Å; M230-Q283 VanDerWaalsContact O-N 3.12Å; M230-L335 WeakPolarHBondContact CA-O 3.39Å; M230-L335 HydrophobicContact CG-CB 4.45Å; M230-H337 HydrophobicContact CE-CB 3.97Å; M230-L409 HydrophobicContact CE-CD1 3.87Å; M230-L409 HydrophobicContact CE-CD2 3.6Å; M230-L409 HydrophobicContact CE-CG 4.4Å; M230-L409 HydrophobicContact SD-CD1 4.08Å
231	L	96.2	Very high	91.2	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	126.9	157.1	170.9	64.7	0	0	0	109.2	V233 Q283 I285 I326 N329 V333 L335 A336 H337	L231-V233 HydrophobicContact CD1-CG2 4.28Å; L231-V233 HydrophobicContact CD2-CG2 4.25Å; L231-V233 HydrophobicContact CG-CG2 4Å; L231-Q283 CarbonylContact C-O 3.56Å; L231-Q283 WeakPolarHBondContact CA-O 2.97Å; L231-Q283 HydrophobicContact CD1-CB 3.74Å; L231-Q283 HydrophobicContact CD1-CG 3.65Å; L231-I285 HydrophobicContact CD1-CD1 3.89Å; L231-I285 HydrophobicContact CD1-CG1 3.99Å; L231-I326 HydrophobicContact CD2-CD1 4.07Å; L231-I326 HydrophobicContact CD2-CG1 3.66Å; L231-N329 HydrophobicContact CD2-CB 3.64Å; L231-V333 HydrophobicContact CB-CB 4.48Å; L231-V333 HydrophobicContact CB-CG1 4.19Å; L231-V333 HydrophobicContact CB-CG2 3.84Å; L231-L335 PolarHBondContact N-O 2.87Å; L231-A336 HydrophobicContact CB-CB 4.02Å; L231-A336 HydrophobicContact CD2-CB 3.93Å; L231-A336 HydrophobicContact CG-CB 4.28Å; L231-A336 CarbonylContact O-C 3.56Å; L231-A336 WeakPolarHBondContact O-CA 3.49Å; L231-H337 PolarHBondContact O-N 3.39Å
232	L	97.8	Very high	91.9	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	136.3	170.5	-42.1	-179.7	0	0	0	108.8	M230 L254 I258 I281 Q283 I284 I285 F339	M230-L232 HydrophobicContact CB-CD2 4.05Å; M230-L232 HydrophobicContact CE-CD2 3.87Å; M230-L232 HydrophobicContact SD-CD2 4.42Å; L232-L254 HydrophobicContact CD1-CB 4.14Å; L232-I258 HydrophobicContact CD1-CG1 3.7Å; L232-I258 HydrophobicContact CD2-CD1 4.2Å; L232-I258 HydrophobicContact CD2-CG1 3.92Å; L232-I258 HydrophobicContact CG-CG1 4.49Å; L232-I281 HydrophobicContact CD1-CD1 4.07Å; L232-I281 HydrophobicContact CD1-CG1 4.22Å; L232-I281 HydrophobicContact CD1-CG2 4.03Å; L232-I281 HydrophobicContact CG-CG2 4.25Å; L232-Q283 PolarHBondContact N-O 2.83Å; L232-I284 HydrophobicContact CB-CG1 4.28Å; L232-I284 HydrophobicContact CD1-CD1 4.44Å; L232-I284 HydrophobicContact CD1-CG1 4.14Å; L232-I284 HydrophobicContact CG-CG1 4.41Å; L232-I284 CarbonylContact O-C 3.58Å; L232-I284 WeakPolarHBondContact O-CA 3.45Å; L232-I285 PolarHBondContact O-N 3.45Å; L232-F339 HydrophobicContact CB-CE2 4.22Å; L232-F339 HydrophobicContact CD2-CE2 4.16Å
233	V	97.9	Very high	91.8	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127.4	176.6	-174.5	0	0	0	0	109.1	L231 I285 F300 F322 I326 H337 L338 F339	L231-V233 HydrophobicContact CD1-CG2 4.28Å; L231-V233 HydrophobicContact CD2-CG2 4.25Å; L231-V233 HydrophobicContact CG-CG2 4Å; V233-I285 CarbonylContact C-O 3.59Å; V233-I285 WeakPolarHBondContact CA-O 3.29Å; V233-I285 HydrophobicContact CG1-CB 4.41Å; V233-I285 HydrophobicContact CG2-CB 4.34Å; V233-F300 HydrophobicContact CG1-CE2 3.88Å; V233-F300 HydrophobicContact CG1-CZ 3.89Å; V233-F322 HydrophobicContact CB-CE2 3.96Å; V233-F322 HydrophobicContact CB-CZ 4.25Å; V233-F322 HydrophobicContact CG1-CE2 4.26Å; V233-F322 HydrophobicContact CG2-CE2 3.88Å; V233-F322 HydrophobicContact CG2-CZ 4.02Å; V233-I326 HydrophobicContact CG2-CD1 3.96Å; V233-I326 HydrophobicContact CG2-CG1 4.16Å; V233-H337 PolarHBondContact N-O 2.88Å; V233-L338 HydrophobicContact CB-CD1 4.3Å; V233-L338 HydrophobicContact CG1-CD1 4.18Å; V233-L338 CarbonylContact O-C 3.49Å; V233-L338 WeakPolarHBondContact O-CA 3.47Å; V233-F339 PolarHBondContact O-N 3.43Å
234	A	97.3	Very high	91.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	132	167.5	0	0	0	0	0	110	F238 T250 L254 I285 I286 Q287	A234-F238 HydrophobicContact CB-CB 4.18Å; A234-F238 HydrophobicContact CB-CD1 3.6Å; A234-F238 HydrophobicContact CB-CE1 4.36Å; A234-F238 HydrophobicContact CB-CG 4.17Å; A234-T250 HydrophobicContact CB-CG2 4.09Å; A234-L254 HydrophobicContact CB-CD1 4.2Å; A234-I285 PolarHBondContact N-O 3.24Å; A234-I286 HydrophobicContact CB-CG1 4.25Å; A234-Q287 PolarHBondContact O-N 3.2Å
235	D	97	Very high	91.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	12%	0.121	C	C	.	.			trans	-78.8	169.4	171.2	78.4	2.3	0	0	0	112.4	R237 F238 Y239 Q287 L338 F339 T340	D235-R237 PolarHBondContact O-N 2.87Å; D235-R237 VanDerWaalsContact O-N 3.13Å; D235-R237 WeakPolarHBondContact OD1-CA 3.33Å; D235-R237 VanDerWaalsContact OD1-CB 3.3Å; D235-R237 WeakPolarHBondContact OD1-CB 3.13Å; D235-R237 PolarHBondContact OD1-N 3.22Å; D235-F238 PolarHBondContact O-N 2.99Å; D235-F238 PolarHBondContact OD1-N 2.77Å; D235-Y239 PolarHBondContact O-N 2.87Å; D235-Q287 CarbonylContact C-O 3.59Å; D235-L338 HydrophobicContact CB-CD1 4.35Å; D235-F339 PolarHBondContact N-O 3.48Å; D235-F339 VanDerWaalsContact N-O 3.15Å; D235-T340 VanDerWaalsContact OD2-CB 3.32Å; D235-T340 WeakPolarHBondContact OD2-CB 3.37Å; D235-T340 PolarHBondContact OD2-OG1 3.46Å
236	H	95.6	Very high	91.5	Very high	17 Å²	17	28.8 Å²	28.8	8%	0.079	12%	0.124	C	C	.	.	H	α-helix	trans	-60.6	-22	178.5	72.6	-85.9	0	0	0	113.4	Q240 Q287 N301 M302	H236-Q240 WeakPolarHBondContact O-CB 3.01Å; H236-Q240 PolarHBondContact O-N 2.68Å; H236-Q287 VanDerWaalsContact CA-O 3.23Å; H236-Q287 WeakPolarHBondContact CA-O 3.45Å; H236-Q287 PolarHBondContact N-O 2.88Å; H236-N301 PolarHBondContact CE1-O 3.28Å; H236-N301 PolarHBondContact N-OD1 2.95Å; H236-N301 PolarHBondContact ND1-O 3.07Å; H236-N301 VanDerWaalsContact ND1-O 3.13Å; H236-N301 PolarHBondContact ND1-OD1 2.92Å; H236-M302 PolarHBondContact CE1-O 3.2Å
237	R	94.6	Very high	91.1	Very high	17 Å²	17	29.1 Å²	29.1	6%	0.064	13%	0.125	C	C	.	.	H	α-helix	trans	-76.7	-45.7	177.6	-49.6	177.3	-177.6	-124.1	4.9	109.6	D235 Q240 Y241 G304 D311 Q342	D235-R237 PolarHBondContact O-N 2.87Å; D235-R237 VanDerWaalsContact O-N 3.13Å; D235-R237 WeakPolarHBondContact OD1-CA 3.33Å; D235-R237 VanDerWaalsContact OD1-CB 3.3Å; D235-R237 WeakPolarHBondContact OD1-CB 3.13Å; D235-R237 PolarHBondContact OD1-N 3.22Å; R237-Q240 PolarHBondContact O-N 3.02Å; R237-Y241 HydrophobicContact CB-CD2 4.43Å; R237-Y241 WeakPolarHBondContact O-CB 3.37Å; R237-Y241 WeakPolarHBondContact O-CD2 3.49Å; R237-Y241 PolarHBondContact O-N 3.41Å; R237-G304 PolarHBondContact NH2-O 3.43Å; R237-D311 IonicContact CZ-OD2 2.59Å; R237-D311 PolarHBondContact NH1-O 2.64Å; R237-D311 IonicContact NH1-OD2 3.8Å; R237-D311 PolarHBondContact NH1-OD2 3.24Å; R237-D311 PolarHBondContact NH2-O 3.33Å; R237-Q342 VanDerWaalsContact CD-CG 3.42Å
238	F	95.4	Very high	90.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.1	-49.2	174.2	-167.4	-89.8	0	0	0	111.2	A234 D235 Q240 Y241 M242 G243 T250 Y253 L254 F339 T389	A234-F238 HydrophobicContact CB-CB 4.18Å; A234-F238 HydrophobicContact CB-CD1 3.6Å; A234-F238 HydrophobicContact CB-CE1 4.36Å; A234-F238 HydrophobicContact CB-CG 4.17Å; D235-F238 PolarHBondContact O-N 2.99Å; D235-F238 PolarHBondContact OD1-N 2.77Å; F238-Q240 VanDerWaalsContact C-N 3.34Å; F238-Q240 PolarHBondContact O-N 3.1Å; F238-Y241 PolarHBondContact O-N 3.23Å; F238-M242 HydrophobicContact CD1-CB 4.3Å; F238-M242 HydrophobicContact CD2-CB 4.19Å; F238-M242 HydrophobicContact CD2-CG 3.89Å; F238-M242 HydrophobicContact CE1-CB 4.16Å; F238-M242 HydrophobicContact CE2-CB 4.04Å; F238-M242 HydrophobicContact CE2-CG 3.76Å; F238-M242 HydrophobicContact CG-CB 4.33Å; F238-M242 HydrophobicContact CG-CG 4.46Å; F238-M242 HydrophobicContact CZ-CB 4.03Å; F238-M242 HydrophobicContact CZ-CG 4.22Å; F238-M242 WeakPolarHBondContact O-CB 3.37Å; F238-M242 PolarHBondContact O-N 2.71Å; F238-G243 PolarHBondContact O-N 2.89Å; F238-T250 HydrophobicContact CD1-CG2 3.89Å; F238-T250 HydrophobicContact CE1-CG2 4.05Å; F238-Y253 HydrophobicContact CE1-CD1 4.32Å; F238-Y253 HydrophobicContact CE2-CE1 4.38Å; F238-Y253 AromaticContact CZ-CD1 3.62Å; F238-Y253 HydrophobicContact CZ-CD1 3.62Å; F238-Y253 AromaticContact CZ-CE1 3.78Å; F238-Y253 HydrophobicContact CZ-CE1 3.78Å; F238-L254 HydrophobicContact CE1-CD2 3.8Å; F238-L254 HydrophobicContact CE1-CG 4.1Å; F238-L254 HydrophobicContact CZ-CD2 3.83Å; F238-F339 WeakPolarHBondContact CB-O 3.42Å; F238-F339 HydrophobicContact CD1-CB 4.48Å; F238-F339 HydrophobicContact CD2-CB 3.82Å; F238-F339 HydrophobicContact CE1-CB 4.45Å; F238-F339 HydrophobicContact CE2-CB 3.78Å; F238-F339 HydrophobicContact CG-CB 4.16Å; F238-F339 HydrophobicContact CZ-CB 4.1Å; F238-T389 HydrophobicContact CE2-CG2 3.85Å; F238-T389 WeakPolarHBondContact CE2-OG1 3.23Å
239	Y	92	Very high	89.9	Confident	20 Å²	20	31 Å²	31	8%	0.078	14%	0.138	C	C	.	.	H	α-helix	trans	-57.6	-43.7	172.8	171	-110	0	0	0	112.2	D235 G243 R244 K245 E247 T250 I286 K288	D235-Y239 PolarHBondContact O-N 2.87Å; Y239-G243 CarbonylContact O-C 3.58Å; Y239-G243 VanDerWaalsContact O-CA 3.28Å; Y239-G243 WeakPolarHBondContact O-CA 3.07Å; Y239-R244 PolarHBondContact O-N 3.04Å; Y239-K245 HydrophobicContact CE1-CB 4.07Å; Y239-K245 HydrophobicContact CE1-CG 4.4Å; Y239-K245 VanDerWaalsContact CE2-C 3.4Å; Y239-K245 VanDerWaalsContact CZ-C 3.45Å; Y239-K245 VanDerWaalsContact CZ-O 3.29Å; Y239-K245 WeakPolarHBondContact O-CA 3.43Å; Y239-K245 PolarHBondContact O-N 2.88Å; Y239-K245 PolarHBondContact OH-O 2.97Å; Y239-E247 HydrophobicContact CE2-CG 4.23Å; Y239-T250 WeakPolarHBondContact CD2-OG1 3.43Å; Y239-I286 HydrophobicContact CD2-CG2 3.81Å; Y239-I286 HydrophobicContact CG-CG2 4.06Å; Y239-K288 HydrophobicContact CD1-CB 4.01Å; Y239-K288 HydrophobicContact CD1-CG 4.09Å; Y239-K288 WeakPolarHBondContact CD1-O 3.44Å; Y239-K288 HydrophobicContact CD2-CG 4.39Å; Y239-K288 HydrophobicContact CE1-CB 3.65Å; Y239-K288 HydrophobicContact CE1-CD 4.47Å; Y239-K288 HydrophobicContact CE1-CG 3.68Å; Y239-K288 HydrophobicContact CE2-CG 4.04Å; Y239-K288 HydrophobicContact CG-CG 4.42Å; Y239-K288 WeakPolarHBondContact OH-CE 3.47Å
240	Q	90.6	Very high	89.4	Confident	71 Å²	71	30.9 Å²	30.9	33%	0.332	14%	0.137	S	C	.	.	H	α-helix	trans	-66.9	-40.6	-180	172.6	168.5	-39	0	0	113.8	H236 R237 F238 R244	H236-Q240 WeakPolarHBondContact O-CB 3.01Å; H236-Q240 PolarHBondContact O-N 2.68Å; R237-Q240 PolarHBondContact O-N 3.02Å; F238-Q240 VanDerWaalsContact C-N 3.34Å; F238-Q240 PolarHBondContact O-N 3.1Å; Q240-R244 WeakPolarHBondContact O-CA 3.34Å
241	Y	85.3	Confident	89	Confident	121 Å²	121	30.9 Å²	30.9	48%	0.475	14%	0.137	S	C	.	.	H	α-helix	trans	-104.3	-54.8	-168.8	-65.8	-67.7	0	0	0	113.6	R237 F238 Y341	R237-Y241 HydrophobicContact CB-CD2 4.43Å; R237-Y241 WeakPolarHBondContact O-CB 3.37Å; R237-Y241 WeakPolarHBondContact O-CD2 3.49Å; R237-Y241 PolarHBondContact O-N 3.41Å; F238-Y241 PolarHBondContact O-N 3.23Å; Y241-Y341 VanDerWaalsContact CB-CD1 3.4Å; Y241-Y341 HydrophobicContact CD1-CD1 4.36Å; Y241-Y341 HydrophobicContact CD1-CE1 4.13Å; Y241-Y341 AromaticContact CD2-CD1 3.29Å; Y241-Y341 HydrophobicContact CD2-CD1 3.29Å; Y241-Y341 AromaticContact CD2-CE1 3.87Å; Y241-Y341 HydrophobicContact CD2-CE1 3.87Å; Y241-Y341 HydrophobicContact CD2-CG 4.04Å; Y241-Y341 HydrophobicContact CE2-CD1 4.12Å; Y241-Y341 AromaticContact CG-CD1 3.44Å; Y241-Y341 HydrophobicContact CG-CD1 3.44Å; Y241-Y341 VanDerWaalsContact CG-CD1 3.44Å; Y241-Y341 AromaticContact CG-CE1 3.6Å; Y241-Y341 HydrophobicContact CG-CE1 3.6Å; Y241-Y341 HydrophobicContact CG-CG 4.15Å
242	M	84.4	Confident	88.3	Confident	14 Å²	14	31.3 Å²	31.3	7%	0.069	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-45	175.3	-65.3	-58	-70.3	0	0	111	F238 R244 Y253 Y341 T389 T395	F238-M242 HydrophobicContact CD1-CB 4.3Å; F238-M242 HydrophobicContact CD2-CB 4.19Å; F238-M242 HydrophobicContact CD2-CG 3.89Å; F238-M242 HydrophobicContact CE1-CB 4.16Å; F238-M242 HydrophobicContact CE2-CB 4.04Å; F238-M242 HydrophobicContact CE2-CG 3.76Å; F238-M242 HydrophobicContact CG-CB 4.33Å; F238-M242 HydrophobicContact CG-CG 4.46Å; F238-M242 HydrophobicContact CZ-CB 4.03Å; F238-M242 HydrophobicContact CZ-CG 4.22Å; F238-M242 WeakPolarHBondContact O-CB 3.37Å; F238-M242 PolarHBondContact O-N 2.71Å; M242-R244 VanDerWaalsContact C-N 3.29Å; M242-R244 PolarHBondContact O-N 2.77Å; M242-Y253 HydrophobicContact CE-CD2 4.34Å; M242-Y253 HydrophobicContact CE-CE1 4.31Å; M242-Y253 HydrophobicContact CE-CE2 3.69Å; M242-Y341 HydrophobicContact CG-CD2 3.81Å; M242-Y341 HydrophobicContact CG-CE2 4.37Å; M242-Y341 HydrophobicContact SD-CD2 3.89Å; M242-Y341 HydrophobicContact SD-CE2 3.87Å; M242-T389 HydrophobicContact CE-CG2 4.15Å; M242-T389 HydrophobicContact CG-CG2 4.49Å; M242-T389 VanDerWaalsContact CG-OG1 3.23Å; M242-T389 WeakPolarHBondContact CG-OG1 3.41Å; M242-T395 HydrophobicContact CE-CG2 4.08Å; M242-T395 HydrophobicContact SD-CG2 3.59Å; M242-T395 VanDerWaalsContact SD-CG2 3.59Å
243	G	80.7	Confident	87.8	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-75.2	-11.3	176.4	0	0	0	0	0	115	F238 Y239 K245 E246 T250	F238-G243 PolarHBondContact O-N 2.89Å; Y239-G243 CarbonylContact O-C 3.58Å; Y239-G243 VanDerWaalsContact O-CA 3.28Å; Y239-G243 WeakPolarHBondContact O-CA 3.07Å; G243-K245 PolarHBondContact O-N 2.96Å; G243-E246 WeakPolarHBondContact O-CB 3.31Å; G243-E246 PolarHBondContact O-N 2.96Å; G243-T250 WeakPolarHBondContact CA-OG1 3.43Å
244	R	82.7	Confident	87.5	Confident	84 Å²	84	31.5 Å²	31.5	32%	0.317	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	24.6	-173.6	-69.5	-171.8	161.3	-151.6	0.2	115.3	W155 T158 A160 Y239 Q240 M242 E246	W155-R244 VanDerWaalsContact CE3-CD 3.41Å; W155-R244 HydrophobicContact CE3-CG 4.18Å; W155-R244 VanDerWaalsContact CE3-NE 3.26Å; W155-R244 HydrophobicContact CZ3-CG 4.05Å; W155-R244 PolarHBondContact O-NH2 2.8Å; T158-R244 PolarHBondContact O-NH2 2.76Å; A160-R244 PolarHBondContact O-NH1 3.43Å; A160-R244 PolarHBondContact O-NH2 2.87Å; Y239-R244 PolarHBondContact O-N 3.04Å; Q240-R244 WeakPolarHBondContact O-CA 3.34Å; M242-R244 VanDerWaalsContact C-N 3.29Å; M242-R244 PolarHBondContact O-N 2.77Å; R244-E246 VanDerWaalsContact C-N 3.34Å
245	K	83.5	Confident	87	Confident	129 Å²	129	31.5 Å²	31.5	56%	0.561	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.2	21.9	-170.6	-48.9	176.4	-177.6	-177.8	0	114.9	Y239 G243	Y239-K245 HydrophobicContact CE1-CB 4.07Å; Y239-K245 HydrophobicContact CE1-CG 4.4Å; Y239-K245 VanDerWaalsContact CE2-C 3.4Å; Y239-K245 VanDerWaalsContact CZ-C 3.45Å; Y239-K245 VanDerWaalsContact CZ-O 3.29Å; Y239-K245 WeakPolarHBondContact O-CA 3.43Å; Y239-K245 PolarHBondContact O-N 2.88Å; Y239-K245 PolarHBondContact OH-O 2.97Å; G243-K245 PolarHBondContact O-N 2.96Å
246	E	81.4	Confident	86.6	Confident	99 Å²	99	32 Å²	32	46%	0.463	14%	0.143	S	C	.	.			trans	-105.5	128.4	173.6	-175.3	170.1	150.3	0	0	111.3	G243 R244 S248 T249 T250	G243-E246 WeakPolarHBondContact O-CB 3.31Å; G243-E246 PolarHBondContact O-N 2.96Å; R244-E246 VanDerWaalsContact C-N 3.34Å; E246-S248 VanDerWaalsContact CG-OG 3.26Å; E246-S248 WeakPolarHBondContact CG-OG 3.44Å; E246-S248 WeakPolarHBondContact OE1-CB 2.99Å; E246-S248 PolarHBondContact OE1-OG 2.99Å; E246-T249 WeakPolarHBondContact CG-OG1 3.02Å; E246-T249 PolarHBondContact OE1-OG1 2.67Å; E246-T250 WeakPolarHBondContact O-CB 3.49Å; E246-T250 PolarHBondContact O-N 3.08Å; E246-T250 PolarHBondContact O-OG1 2.59Å
247	E	82.8	Confident	86.4	Confident	35 Å²	35	31.3 Å²	31.3	16%	0.164	14%	0.139	C	C	.	.	H	α-helix	trans	-66.3	-46.3	-177.1	-63.7	176.4	-174	0	0	110.4	V99 R107 F109 Y239 T250 I251 K288	V99-E247 HydrophobicContact CG1-CG 4.29Å; V99-E247 HydrophobicContact CG2-CG 4.36Å; R107-E247 IonicContact NH1-OE2 3.29Å; R107-E247 IonicContact NH2-OE1 3.92Å; R107-E247 PolarHBondContact NH2-OE1 2.83Å; F109-E247 HydrophobicContact CD2-CB 3.94Å; F109-E247 HydrophobicContact CE2-CB 3.61Å; F109-E247 HydrophobicContact CZ-CB 4.48Å; Y239-E247 HydrophobicContact CE2-CG 4.23Å; E247-T250 PolarHBondContact O-N 3.34Å; E247-I251 VanDerWaalsContact O-CG1 3.3Å; E247-I251 WeakPolarHBondContact O-CG1 3.28Å; E247-I251 PolarHBondContact O-N 3.22Å; E247-I251 VanDerWaalsContact O-N 3.12Å; E247-K288 HydrophobicContact CG-CD 4.3Å; E247-K288 WeakPolarHBondContact OE1-CD 3.29Å; E247-K288 WeakPolarHBondContact OE1-CE 3.36Å; E247-K288 IonicContact OE1-NZ 3.68Å; E247-K288 PolarHBondContact OE1-NZ 2.79Å
248	S	80.6	Confident	86.4	Confident	32 Å²	32	30.6 Å²	30.6	22%	0.224	14%	0.137	C	C	.	.	H	α-helix	trans	-55.5	-59.6	174.9	10.7	0	0	0	0	112.4	E246 T250 I251 N252	E246-S248 VanDerWaalsContact CG-OG 3.26Å; E246-S248 WeakPolarHBondContact CG-OG 3.44Å; E246-S248 WeakPolarHBondContact OE1-CB 2.99Å; E246-S248 PolarHBondContact OE1-OG 2.99Å; S248-T250 VanDerWaalsContact C-N 3.27Å; S248-T250 PolarHBondContact O-N 3.48Å; S248-I251 PolarHBondContact O-N 3.42Å; S248-I251 VanDerWaalsContact O-N 3.12Å; S248-N252 WeakPolarHBondContact O-CB 3.48Å; S248-N252 PolarHBondContact O-N 2.86Å; S248-N252 PolarHBondContact O-ND2 3.12Å; S248-N252 PolarHBondContact O-OD1 3.26Å
249	T	82.4	Confident	86.2	Confident	7 Å²	7	31.4 Å²	31.4	4%	0.043	14%	0.141	C	C	.	.	H	α-helix	trans	-53.8	-42.1	-179.1	-52.1	0	0	0	0	112.9	W155 E246 Y253	W155-T249 HydrophobicContact CH2-CG2 3.22Å; W155-T249 HydrophobicContact CZ2-CG2 3.46Å; W155-T249 VanDerWaalsContact CZ2-CG2 3.46Å; W155-T249 HydrophobicContact CZ3-CG2 4.28Å; E246-T249 WeakPolarHBondContact CG-OG1 3.02Å; E246-T249 PolarHBondContact OE1-OG1 2.67Å; T249-Y253 WeakPolarHBondContact O-CB 3.36Å; T249-Y253 PolarHBondContact O-N 3.25Å; T249-Y253 VanDerWaalsContact O-N 3.09Å
250	T	84.1	Confident	86.1	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.9	-47.1	178.4	-50.8	0	0	0	0	111.7	A234 F238 Y239 G243 E246 E247 S248 L254 I286	A234-T250 HydrophobicContact CB-CG2 4.09Å; F238-T250 HydrophobicContact CD1-CG2 3.89Å; F238-T250 HydrophobicContact CE1-CG2 4.05Å; Y239-T250 WeakPolarHBondContact CD2-OG1 3.43Å; G243-T250 WeakPolarHBondContact CA-OG1 3.43Å; E246-T250 WeakPolarHBondContact O-CB 3.49Å; E246-T250 PolarHBondContact O-N 3.08Å; E246-T250 PolarHBondContact O-OG1 2.59Å; E247-T250 PolarHBondContact O-N 3.34Å; S248-T250 VanDerWaalsContact C-N 3.27Å; S248-T250 PolarHBondContact O-N 3.48Å; T250-L254 WeakPolarHBondContact O-CG 3.46Å; T250-L254 PolarHBondContact O-N 3.32Å; T250-I286 HydrophobicContact CG2-CD1 3.53Å; T250-I286 HydrophobicContact CG2-CG1 3.93Å
251	I	86.3	Confident	86.2	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-64.1	-46.4	179.3	-68.4	171.1	0	0	0	110.4	A97 F109 V111 E247 S248 Y253 L254 I255 I284 I286	A97-I251 HydrophobicContact CB-CD1 4.01Å; F109-I251 HydrophobicContact CB-CD1 3.87Å; F109-I251 HydrophobicContact CD1-CD1 3.26Å; F109-I251 HydrophobicContact CD2-CD1 4.04Å; F109-I251 HydrophobicContact CE1-CD1 3.72Å; F109-I251 HydrophobicContact CE2-CD1 4.43Å; F109-I251 HydrophobicContact CG-CD1 3.44Å; F109-I251 VanDerWaalsContact CG-CD1 3.44Å; F109-I251 HydrophobicContact CZ-CD1 4.29Å; V111-I251 HydrophobicContact CG1-CG2 4.44Å; V111-I251 HydrophobicContact CG2-CG2 3.74Å; E247-I251 VanDerWaalsContact O-CG1 3.3Å; E247-I251 WeakPolarHBondContact O-CG1 3.28Å; E247-I251 PolarHBondContact O-N 3.22Å; E247-I251 VanDerWaalsContact O-N 3.12Å; S248-I251 PolarHBondContact O-N 3.42Å; S248-I251 VanDerWaalsContact O-N 3.12Å; I251-Y253 PolarHBondContact O-N 2.88Å; I251-L254 PolarHBondContact O-N 2.57Å; I251-I255 HydrophobicContact CG2-CD1 3.46Å; I251-I255 VanDerWaalsContact CG2-CD1 3.46Å; I251-I255 HydrophobicContact CG2-CG1 4.4Å; I251-I255 WeakPolarHBondContact O-CD1 3.43Å; I251-I255 WeakPolarHBondContact O-CG1 3.4Å; I251-I255 PolarHBondContact O-N 2.93Å; I251-I255 VanDerWaalsContact O-N 3.08Å; I251-I284 HydrophobicContact CG2-CD1 4.1Å; I251-I286 HydrophobicContact CD1-CD1 4.07Å; I251-I286 HydrophobicContact CG1-CD1 3.36Å
252	N	83.1	Confident	86.6	Confident	9 Å²	9	22.8 Å²	22.8	5%	0.048	11%	0.105	C	C	.	.	H	α-helix	trans	-61.9	-44.6	-176.5	-63.3	-14.2	0	0	0	111.6	Y116 H132 S248 L254 I255 E256	Y116-N252 WeakPolarHBondContact OH-CA 3.27Å; Y116-N252 PolarHBondContact OH-OD1 2.68Å; H132-N252 PolarHBondContact CE1-ND2 2.56Å; S248-N252 WeakPolarHBondContact O-CB 3.48Å; S248-N252 PolarHBondContact O-N 2.86Å; S248-N252 PolarHBondContact O-ND2 3.12Å; S248-N252 PolarHBondContact O-OD1 3.26Å; N252-L254 PolarHBondContact O-N 3.12Å; N252-I255 PolarHBondContact O-N 3.45Å; N252-E256 WeakPolarHBondContact O-CB 3.49Å; N252-E256 VanDerWaalsContact O-CG 3.28Å; N252-E256 WeakPolarHBondContact O-CG 3.42Å; N252-E256 PolarHBondContact O-N 3.38Å
253	Y	86.5	Confident	86.8	Confident	6 Å²	6	23.9 Å²	23.9	2%	0.024	11%	0.111	C	C	.	.	H	α-helix	trans	-60.1	-43.9	175.8	-178.6	-82	0	0	0	112.7	F238 M242 T249 I251 I255 E256 L257 T389 T398 A401	F238-Y253 HydrophobicContact CE1-CD1 4.32Å; F238-Y253 HydrophobicContact CE2-CE1 4.38Å; F238-Y253 AromaticContact CZ-CD1 3.62Å; F238-Y253 HydrophobicContact CZ-CD1 3.62Å; F238-Y253 AromaticContact CZ-CE1 3.78Å; F238-Y253 HydrophobicContact CZ-CE1 3.78Å; M242-Y253 HydrophobicContact CE-CD2 4.34Å; M242-Y253 HydrophobicContact CE-CE1 4.31Å; M242-Y253 HydrophobicContact CE-CE2 3.69Å; T249-Y253 WeakPolarHBondContact O-CB 3.36Å; T249-Y253 PolarHBondContact O-N 3.25Å; T249-Y253 VanDerWaalsContact O-N 3.09Å; I251-Y253 PolarHBondContact O-N 2.88Å; Y253-I255 VanDerWaalsContact C-N 3.28Å; Y253-I255 PolarHBondContact O-N 3.12Å; Y253-E256 PolarHBondContact O-N 2.83Å; Y253-L257 HydrophobicContact CE1-CD2 4.03Å; Y253-L257 VanDerWaalsContact O-CB 3.29Å; Y253-L257 WeakPolarHBondContact O-CB 3.16Å; Y253-L257 PolarHBondContact O-N 3.31Å; Y253-T389 HydrophobicContact CE1-CG2 4.42Å; Y253-T398 HydrophobicContact CE2-CG2 4.44Å; Y253-A401 WeakPolarHBondContact OH-CB 3.39Å
254	L	90.7	Very high	87.3	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.7	-35.4	178.6	-69.4	177.9	0	0	0	112.3	L232 A234 F238 T250 I251 N252 I258 I284 F339	L232-L254 HydrophobicContact CD1-CB 4.14Å; A234-L254 HydrophobicContact CB-CD1 4.2Å; F238-L254 HydrophobicContact CE1-CD2 3.8Å; F238-L254 HydrophobicContact CE1-CG 4.1Å; F238-L254 HydrophobicContact CZ-CD2 3.83Å; T250-L254 WeakPolarHBondContact O-CG 3.46Å; T250-L254 PolarHBondContact O-N 3.32Å; I251-L254 PolarHBondContact O-N 2.57Å; N252-L254 PolarHBondContact O-N 3.12Å; L254-I258 PolarHBondContact O-N 3.24Å; L254-I258 VanDerWaalsContact O-N 3.16Å; L254-I284 HydrophobicContact CD1-CG2 3.94Å; L254-F339 HydrophobicContact CD2-CB 3.95Å; L254-F339 HydrophobicContact CD2-CD1 4.17Å; L254-F339 HydrophobicContact CD2-CD2 3.39Å; L254-F339 HydrophobicContact CD2-CE2 3.87Å; L254-F339 HydrophobicContact CD2-CG 3.54Å; L254-F339 HydrophobicContact CD2-CZ 4.43Å
255	I	87.8	Confident	87.8	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-73.3	-47.2	177.9	-66.4	162.3	0	0	0	110.9	I90 F91 V111 Y116 I251 N252 Y253 L257 I258 D259 I281 I284	I90-I255 HydrophobicContact CD1-CG2 4.11Å; I90-I255 HydrophobicContact CG2-CG2 3.58Å; F91-I255 HydrophobicContact CE1-CD1 3.66Å; F91-I255 HydrophobicContact CE1-CG1 4Å; F91-I255 HydrophobicContact CE1-CG2 4.13Å; F91-I255 HydrophobicContact CZ-CD1 3.96Å; F91-I255 HydrophobicContact CZ-CG1 4.45Å; F91-I255 HydrophobicContact CZ-CG2 3.91Å; V111-I255 HydrophobicContact CG1-CD1 3.92Å; Y116-I255 HydrophobicContact CD1-CG2 3.62Å; Y116-I255 HydrophobicContact CE1-CB 3.73Å; Y116-I255 HydrophobicContact CE1-CD1 4.38Å; Y116-I255 HydrophobicContact CE1-CG2 3.25Å; Y116-I255 HydrophobicContact CE2-CD1 4.33Å; Y116-I255 HydrophobicContact CE2-CG2 4.48Å; Y116-I255 HydrophobicContact CG-CG2 4.37Å; Y116-I255 VanDerWaalsContact OH-CD1 3.3Å; Y116-I255 WeakPolarHBondContact OH-CD1 3.29Å; I251-I255 HydrophobicContact CG2-CD1 3.46Å; I251-I255 VanDerWaalsContact CG2-CD1 3.46Å; I251-I255 HydrophobicContact CG2-CG1 4.4Å; I251-I255 WeakPolarHBondContact O-CD1 3.43Å; I251-I255 WeakPolarHBondContact O-CG1 3.4Å; I251-I255 PolarHBondContact O-N 2.93Å; I251-I255 VanDerWaalsContact O-N 3.08Å; N252-I255 PolarHBondContact O-N 3.45Å; Y253-I255 VanDerWaalsContact C-N 3.28Å; Y253-I255 PolarHBondContact O-N 3.12Å; I255-L257 PolarHBondContact O-N 3.38Å; I255-I258 PolarHBondContact O-N 2.73Å; I255-D259 WeakPolarHBondContact O-CB 3.43Å; I255-D259 PolarHBondContact O-N 2.73Å; I255-I281 HydrophobicContact CB-CD1 4.16Å; I255-I281 HydrophobicContact CG1-CD1 3.77Å; I255-I281 HydrophobicContact CG2-CD1 4.18Å; I255-I284 HydrophobicContact CD1-CD1 4.01Å; I255-I284 HydrophobicContact CG1-CD1 3.72Å
256	E	88.1	Confident	88.1	Confident	11 Å²	11	16.7 Å²	16.7	5%	0.051	8%	0.082	C	C	.	.	H	α-helix	trans	-51.9	-43.2	173.2	-76.5	174.2	-167.9	0	0	111.7	H132 S139 R156 N252 Y253 R260	H132-E256 HydrophobicContact CB-CG 3.93Å; H132-E256 IonicContact CG-OE1 2.66Å; H132-E256 IonicContact ND1-OE1 2.72Å; H132-E256 PolarHBondContact ND1-OE1 3.11Å; S139-E256 WeakPolarHBondContact CB-OE1 3.37Å; S139-E256 PolarHBondContact OG-OE1 3.42Å; S139-E256 PolarHBondContact OG-OE2 2.81Å; R156-E256 IonicContact CZ-OE2 3.28Å; R156-E256 IonicContact NH1-OE2 3.76Å; R156-E256 PolarHBondContact NH1-OE2 3.46Å; R156-E256 VanDerWaalsContact NH1-OE2 3.09Å; R156-E256 IonicContact NH2-OE1 2.64Å; R156-E256 PolarHBondContact NH2-OE1 2.88Å; R156-E256 IonicContact NH2-OE2 2.68Å; R156-E256 PolarHBondContact NH2-OE2 2.96Å; N252-E256 WeakPolarHBondContact O-CB 3.49Å; N252-E256 VanDerWaalsContact O-CG 3.28Å; N252-E256 WeakPolarHBondContact O-CG 3.42Å; N252-E256 PolarHBondContact O-N 3.38Å; Y253-E256 PolarHBondContact O-N 2.83Å; E256-R260 VanDerWaalsContact O-CZ 3.28Å; E256-R260 PolarHBondContact O-N 3.08Å; E256-R260 PolarHBondContact O-NH1 2.86Å
257	L	91.9	Very high	88.3	Confident	1 Å²	1	18.9 Å²	18.9	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-64.6	-51.6	178.7	175.9	55.8	0	0	0	112.5	Y253 I255 D259 R260 V261 F339 D402	Y253-L257 HydrophobicContact CE1-CD2 4.03Å; Y253-L257 VanDerWaalsContact O-CB 3.29Å; Y253-L257 WeakPolarHBondContact O-CB 3.16Å; Y253-L257 PolarHBondContact O-N 3.31Å; I255-L257 PolarHBondContact O-N 3.38Å; L257-D259 PolarHBondContact O-N 2.93Å; L257-R260 PolarHBondContact O-N 3.02Å; L257-V261 HydrophobicContact CD1-CG2 4.13Å; L257-V261 VanDerWaalsContact O-CG2 3.3Å; L257-V261 WeakPolarHBondContact O-CG2 3.45Å; L257-V261 PolarHBondContact O-N 2.81Å; L257-F339 HydrophobicContact CD2-CD1 4.12Å; L257-F339 HydrophobicContact CD2-CE1 3.47Å; L257-F339 VanDerWaalsContact CD2-CE1 3.47Å; L257-F339 HydrophobicContact CD2-CZ 4Å; L257-D402 HydrophobicContact CD1-CB 4.44Å; L257-D402 WeakPolarHBondContact CD1-OD1 3.17Å
258	I	94.1	Very high	88.6	Confident	3 Å²	3	17.5 Å²	17.5	2%	0.015	9%	0.091	C	C	.	.	H	α-helix	trans	-72.4	-28	-176.5	-63.9	-59.9	0	0	0	112.8	M230 L232 L254 I255 V261 D262 V279 I281 F339 T405	M230-I258 HydrophobicContact SD-CD1 4.46Å; L232-I258 HydrophobicContact CD1-CG1 3.7Å; L232-I258 HydrophobicContact CD2-CD1 4.2Å; L232-I258 HydrophobicContact CD2-CG1 3.92Å; L232-I258 HydrophobicContact CG-CG1 4.49Å; L254-I258 PolarHBondContact O-N 3.24Å; L254-I258 VanDerWaalsContact O-N 3.16Å; I255-I258 PolarHBondContact O-N 2.73Å; I258-V261 PolarHBondContact O-N 2.7Å; I258-D262 WeakPolarHBondContact O-CB 3.27Å; I258-D262 PolarHBondContact O-N 3.13Å; I258-V279 HydrophobicContact CG2-CG2 4.01Å; I258-I281 HydrophobicContact CB-CD1 4.1Å; I258-I281 HydrophobicContact CB-CG1 4.17Å; I258-I281 HydrophobicContact CG2-CD1 4.26Å; I258-I281 HydrophobicContact CG2-CG1 3.79Å; I258-F339 HydrophobicContact CD1-CZ 4.33Å; I258-T405 HydrophobicContact CD1-CG2 4.09Å
259	D	90.4	Very high	89	Confident	16 Å²	16	19 Å²	19	9%	0.086	10%	0.101	C	C	.	.	H	α-helix	trans	-62.3	-44.4	172	-168.4	52.3	0	0	0	111.2	N87 I90 Q130 I255 L257 D263	N87-D259 PolarHBondContact ND2-OD1 3.01Å; N87-D259 PolarHBondContact ND2-OD2 3.23Å; I90-D259 HydrophobicContact CD1-CB 4.18Å; I90-D259 HydrophobicContact CG1-CB 4.09Å; I90-D259 WeakPolarHBondContact CG1-OD1 3.26Å; Q130-D259 PolarHBondContact NE2-O 3.44Å; Q130-D259 VanDerWaalsContact NE2-O 3.16Å; Q130-D259 PolarHBondContact NE2-OD2 3.23Å; I255-D259 WeakPolarHBondContact O-CB 3.43Å; I255-D259 PolarHBondContact O-N 2.73Å; L257-D259 PolarHBondContact O-N 2.93Å; D259-D263 VanDerWaalsContact O-OD2 3.08Å
260	R	89.6	Confident	89.4	Confident	24 Å²	24	19.1 Å²	19.1	9%	0.091	10%	0.101	C	C	.	.	H	α-helix	trans	-68.7	-34.6	175.4	-70.8	-170.2	-56.7	-74.5	-14.7	113.3	E256 L257 D402	E256-R260 VanDerWaalsContact O-CZ 3.28Å; E256-R260 PolarHBondContact O-N 3.08Å; E256-R260 PolarHBondContact O-NH1 2.86Å; L257-R260 PolarHBondContact O-N 3.02Å; R260-D402 IonicContact CZ-OD1 3.45Å; R260-D402 VanDerWaalsContact CZ-OD1 3.29Å; R260-D402 IonicContact CZ-OD2 3.78Å; R260-D402 VanDerWaalsContact NE-CG 3.27Å; R260-D402 IonicContact NE-OD1 3.19Å; R260-D402 PolarHBondContact NE-OD1 2.68Å; R260-D402 IonicContact NE-OD2 3.29Å; R260-D402 PolarHBondContact NE-OD2 3.26Å; R260-D402 IonicContact NH2-OD1 2.72Å; R260-D402 PolarHBondContact NH2-OD1 3.5Å; R260-D402 IonicContact NH2-OD2 2.86Å
261	V	94.4	Very high	89.5	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-71.5	-40.3	178	174.4	0	0	0	0	111.3	L257 I258 D263 I264 Y265 T405 L409	L257-V261 HydrophobicContact CD1-CG2 4.13Å; L257-V261 VanDerWaalsContact O-CG2 3.3Å; L257-V261 WeakPolarHBondContact O-CG2 3.45Å; L257-V261 PolarHBondContact O-N 2.81Å; I258-V261 PolarHBondContact O-N 2.7Å; V261-D263 PolarHBondContact O-N 2.81Å; V261-I264 PolarHBondContact O-N 2.87Å; V261-I264 VanDerWaalsContact O-N 3.14Å; V261-Y265 HydrophobicContact CG1-CD2 4.16Å; V261-Y265 HydrophobicContact CG1-CE2 4Å; V261-Y265 WeakPolarHBondContact O-CD2 3.32Å; V261-Y265 PolarHBondContact O-N 3.11Å; V261-T405 HydrophobicContact CG2-CG2 4.15Å; V261-L409 HydrophobicContact CG1-CD1 3.96Å
262	D	92.9	Very high	89.4	Confident	7 Å²	7	30.6 Å²	30.6	4%	0.037	16%	0.156	C	C	.	.	H	α-helix	trans	-56.1	-39.5	176.9	-172.1	35.1	0	0	0	112	I258 I264 Y265 R266 G278 V279 R475	I258-D262 WeakPolarHBondContact O-CB 3.27Å; I258-D262 PolarHBondContact O-N 3.13Å; D262-I264 PolarHBondContact O-N 2.91Å; D262-Y265 WeakPolarHBondContact O-CB 3.32Å; D262-Y265 PolarHBondContact O-N 3.14Å; D262-Y265 VanDerWaalsContact O-N 3.16Å; D262-R266 WeakPolarHBondContact O-CG 3.44Å; D262-R266 PolarHBondContact O-N 2.83Å; D262-R266 IonicContact OD1-CZ 3.12Å; D262-R266 IonicContact OD1-NE 3.57Å; D262-R266 PolarHBondContact OD1-NE 2.99Å; D262-R266 IonicContact OD1-NH2 2.74Å; D262-R266 PolarHBondContact OD1-NH2 3.05Å; D262-R266 IonicContact OD2-CZ 3.19Å; D262-R266 IonicContact OD2-NE 2.81Å; D262-R266 PolarHBondContact OD2-NE 3.13Å; D262-R266 IonicContact OD2-NH2 2.67Å; D262-R266 PolarHBondContact OD2-NH2 2.99Å; D262-G278 VanDerWaalsContact OD1-CA 3.28Å; D262-G278 WeakPolarHBondContact OD1-CA 3.46Å; D262-V279 HydrophobicContact CB-CG2 3.84Å; D262-V279 PolarHBondContact OD1-N 3.09Å; D262-R475 IonicContact OD2-NH2 2.67Å
263	D	88.8	Confident	89.5	Confident	37 Å²	37	35.2 Å²	35.2	20%	0.198	18%	0.177	C	C	.	.	H	α-helix	trans	-61.6	-40.1	177.7	-70.9	-53.9	0	0	0	113.9	R128 Q130 D259 V261 Y265 R266 N267	R128-D263 IonicContact CZ-OD1 2.64Å; R128-D263 IonicContact CZ-OD2 3.15Å; R128-D263 IonicContact NE-OD1 2.84Å; R128-D263 IonicContact NH1-OD1 3.84Å; R128-D263 IonicContact NH1-OD2 2.8Å; R128-D263 PolarHBondContact NH1-OD2 3.36Å; R128-D263 IonicContact NH2-OD1 2.84Å; R128-D263 PolarHBondContact NH2-OD1 2.97Å; R128-D263 IonicContact NH2-OD2 2.68Å; R128-D263 PolarHBondContact NH2-OD2 3.29Å; Q130-D263 PolarHBondContact NE2-OD2 3.36Å; Q130-D263 PolarHBondContact OE1-OD2 3.01Å; Q130-D263 VanDerWaalsContact OE1-OD2 3.14Å; D259-D263 VanDerWaalsContact O-OD2 3.08Å; V261-D263 PolarHBondContact O-N 2.81Å; D263-Y265 PolarHBondContact O-N 3.45Å; D263-R266 PolarHBondContact O-N 3.28Å; D263-N267 WeakPolarHBondContact O-CB 3.33Å; D263-N267 PolarHBondContact O-N 3.41Å
264	I	90.7	Very high	89.5	Confident	29 Å²	29	35 Å²	35	15%	0.149	18%	0.176	C	C	.	.	H	α-helix	trans	-62.8	-36.6	177.7	-62.9	169	0	0	0	110.1	V261 D262 T268 T406 K450 F452	V261-I264 PolarHBondContact O-N 2.87Å; V261-I264 VanDerWaalsContact O-N 3.14Å; D262-I264 PolarHBondContact O-N 2.91Å; I264-T268 WeakPolarHBondContact O-CB 3.48Å; I264-T268 PolarHBondContact O-N 3.44Å; I264-T268 PolarHBondContact O-OG1 3.43Å; I264-T406 HydrophobicContact CB-CG2 4.46Å; I264-T406 HydrophobicContact CD1-CG2 4.45Å; I264-T406 HydrophobicContact CG2-CG2 3.84Å; I264-K450 VanDerWaalsContact CG2-O 3.28Å; I264-K450 WeakPolarHBondContact CG2-O 3.38Å; I264-F452 HydrophobicContact CG2-CE2 4.15Å
265	Y	94	Very high	89.2	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-71.8	-48.9	175.2	-81.3	-102.6	0	0	0	112.6	V261 D262 D263 T268 W270 Y277 T406 L409 G410 F413 F452	V261-Y265 HydrophobicContact CG1-CD2 4.16Å; V261-Y265 HydrophobicContact CG1-CE2 4Å; V261-Y265 WeakPolarHBondContact O-CD2 3.32Å; V261-Y265 PolarHBondContact O-N 3.11Å; D262-Y265 WeakPolarHBondContact O-CB 3.32Å; D262-Y265 PolarHBondContact O-N 3.14Å; D262-Y265 VanDerWaalsContact O-N 3.16Å; D263-Y265 PolarHBondContact O-N 3.45Å; Y265-T268 WeakPolarHBondContact O-CB 3.05Å; Y265-T268 PolarHBondContact O-N 3.09Å; Y265-T268 VanDerWaalsContact O-N 3.13Å; Y265-W270 AromaticContact CD1-CH2 3.9Å; Y265-W270 HydrophobicContact CD1-CH2 3.9Å; Y265-W270 AromaticContact CD1-CZ2 3.56Å; Y265-W270 HydrophobicContact CD1-CZ2 3.56Å; Y265-W270 HydrophobicContact CE1-CH2 4.07Å; Y265-W270 HydrophobicContact CE1-CZ2 4.18Å; Y265-W270 HydrophobicContact CG-CZ2 4.2Å; Y265-Y277 CarbonylContact C-O 3.55Å; Y265-T406 HydrophobicContact CE2-CG2 4Å; Y265-T406 PolarHBondContact OH-O 2.72Å; Y265-L409 HydrophobicContact CE2-CB 4.34Å; Y265-L409 WeakPolarHBondContact OH-CB 3.45Å; Y265-L409 PolarHBondContact OH-O 2.88Å; Y265-G410 WeakPolarHBondContact OH-CA 3.46Å; Y265-G410 PolarHBondContact OH-N 3.22Å; Y265-F413 HydrophobicContact CD1-CD1 4.02Å; Y265-F413 AromaticContact CD1-CE1 3.67Å; Y265-F413 HydrophobicContact CD1-CE1 3.67Å; Y265-F413 HydrophobicContact CD1-CE2 4.26Å; Y265-F413 HydrophobicContact CD1-CG 4.47Å; Y265-F413 AromaticContact CD1-CZ 3.8Å; Y265-F413 HydrophobicContact CD1-CZ 3.8Å; Y265-F413 HydrophobicContact CE1-CB 4.39Å; Y265-F413 AromaticContact CE1-CD1 3.65Å; Y265-F413 HydrophobicContact CE1-CD1 3.65Å; Y265-F413 AromaticContact CE1-CD2 3.74Å; Y265-F413 HydrophobicContact CE1-CD2 3.74Å; Y265-F413 AromaticContact CE1-CE1 3.7Å; Y265-F413 HydrophobicContact CE1-CE1 3.7Å; Y265-F413 AromaticContact CE1-CE2 3.76Å; Y265-F413 HydrophobicContact CE1-CE2 3.76Å; Y265-F413 AromaticContact CE1-CG 3.67Å; Y265-F413 HydrophobicContact CE1-CG 3.67Å; Y265-F413 AromaticContact CE1-CZ 3.75Å; Y265-F413 HydrophobicContact CE1-CZ 3.75Å; Y265-F452 HydrophobicContact CD2-CE2 4.46Å; Y265-F452 HydrophobicContact CE1-CE2 4.42Å; Y265-F452 HydrophobicContact CE1-CZ 4.18Å; Y265-F452 HydrophobicContact CE2-CE2 4.21Å; Y265-F452 AromaticContact CE2-CZ 3.99Å; Y265-F452 HydrophobicContact CE2-CZ 3.99Å; Y265-F452 AromaticContact CZ-CZ 3.7Å
266	R	89.4	Confident	89.1	Confident	34 Å²	34	39.4 Å²	39.4	13%	0.128	21%	0.211	C	C	.	.	H	α-helix	trans	-70.8	-36.8	-175.5	-66.7	-168	-168.5	-80.9	-4.8	113.5	N226 T227 D262 D263 T268 G276 Y277 V279 R475	N226-R266 PolarHBondContact OD1-NH1 2.78Å; T227-R266 PolarHBondContact OG1-NH1 3.36Å; T227-R266 PolarHBondContact OG1-NH2 2.87Å; D262-R266 WeakPolarHBondContact O-CG 3.44Å; D262-R266 PolarHBondContact O-N 2.83Å; D262-R266 IonicContact OD1-CZ 3.12Å; D262-R266 IonicContact OD1-NE 3.57Å; D262-R266 PolarHBondContact OD1-NE 2.99Å; D262-R266 IonicContact OD1-NH2 2.74Å; D262-R266 PolarHBondContact OD1-NH2 3.05Å; D262-R266 IonicContact OD2-CZ 3.19Å; D262-R266 IonicContact OD2-NE 2.81Å; D262-R266 PolarHBondContact OD2-NE 3.13Å; D262-R266 IonicContact OD2-NH2 2.67Å; D262-R266 PolarHBondContact OD2-NH2 2.99Å; D263-R266 PolarHBondContact O-N 3.28Å; R266-T268 PolarHBondContact O-N 3.21Å; R266-G276 PolarHBondContact NH1-O 2.93Å; R266-Y277 PolarHBondContact N-O 2.04Å; R266-V279 PolarHBondContact NH2-O 2.85Å; R266-R475 VanDerWaalsContact CZ-NE 3.28Å
267	N	86.4	Confident	89.3	Confident	145 Å²	145	39 Å²	39	78%	0.775	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-13.9	173.8	-162.2	26.8	0	0	0	111.9	D263 S269	D263-N267 WeakPolarHBondContact O-CB 3.33Å; D263-N267 PolarHBondContact O-N 3.41Å; N267-S269 PolarHBondContact O-N 3.19Å
268	T	88.2	Confident	89.4	Confident	6 Å²	6	38.9 Å²	38.9	4%	0.037	21%	0.209	C	C	.	.			trans	-79.8	105.4	169.1	-66	0	0	0	0	110.5	I264 Y265 R266 W270 F452 K457	I264-T268 WeakPolarHBondContact O-CB 3.48Å; I264-T268 PolarHBondContact O-N 3.44Å; I264-T268 PolarHBondContact O-OG1 3.43Å; Y265-T268 WeakPolarHBondContact O-CB 3.05Å; Y265-T268 PolarHBondContact O-N 3.09Å; Y265-T268 VanDerWaalsContact O-N 3.13Å; R266-T268 PolarHBondContact O-N 3.21Å; T268-W270 HydrophobicContact CG2-CD2 3.69Å; T268-W270 HydrophobicContact CG2-CE3 3.66Å; T268-W270 HydrophobicContact CG2-CG 4.36Å; T268-W270 HydrophobicContact CG2-CH2 3.83Å; T268-W270 HydrophobicContact CG2-CZ2 3.84Å; T268-W270 HydrophobicContact CG2-CZ3 3.71Å; T268-W270 PolarHBondContact O-N 3.04Å; T268-W270 PolarHBondContact O-NE1 3.14Å; T268-W270 VanDerWaalsContact O-NE1 3.14Å; T268-F452 HydrophobicContact CG2-CD2 4.24Å; T268-K457 HydrophobicContact CG2-CD 4.42Å; T268-K457 HydrophobicContact CG2-CG 4.35Å
269	S	89.4	Confident	89.4	Confident	62 Å²	62	38.8 Å²	38.8	43%	0.434	21%	0.208	S	C	.	.			trans	-64	123.2	153.3	163.1	0	0	0	0	108.5	N267 D271 K457	N267-S269 PolarHBondContact O-N 3.19Å; S269-D271 PolarHBondContact OG-O 2.79Å; S269-K457 PolarHBondContact O-NZ 2.8Å
270	W	89.7	Confident	89.4	Confident	11 Å²	11	38.3 Å²	38.3	4%	0.042	21%	0.206	C	C	.	.			trans	-88.7	-46.5	179.5	-54.4	97	0	0	0	110	Y265 T268 F274 F452 K457 I460 V461 L464	Y265-W270 AromaticContact CD1-CH2 3.9Å; Y265-W270 HydrophobicContact CD1-CH2 3.9Å; Y265-W270 AromaticContact CD1-CZ2 3.56Å; Y265-W270 HydrophobicContact CD1-CZ2 3.56Å; Y265-W270 HydrophobicContact CE1-CH2 4.07Å; Y265-W270 HydrophobicContact CE1-CZ2 4.18Å; Y265-W270 HydrophobicContact CG-CZ2 4.2Å; T268-W270 HydrophobicContact CG2-CD2 3.69Å; T268-W270 HydrophobicContact CG2-CE3 3.66Å; T268-W270 HydrophobicContact CG2-CG 4.36Å; T268-W270 HydrophobicContact CG2-CH2 3.83Å; T268-W270 HydrophobicContact CG2-CZ2 3.84Å; T268-W270 HydrophobicContact CG2-CZ3 3.71Å; T268-W270 PolarHBondContact O-N 3.04Å; T268-W270 PolarHBondContact O-NE1 3.14Å; T268-W270 VanDerWaalsContact O-NE1 3.14Å; W270-F274 WeakPolarHBondContact CA-O 3Å; W270-F274 HydrophobicContact CB-CB 3.95Å; W270-F274 VanDerWaalsContact CB-O 3.27Å; W270-F274 WeakPolarHBondContact CB-O 3.35Å; W270-F274 PolarHBondContact N-O 3.44Å; W270-F452 AromaticContact CH2-CD2 3.51Å; W270-F452 HydrophobicContact CH2-CD2 3.51Å; W270-F452 AromaticContact CH2-CE2 3.59Å; W270-F452 HydrophobicContact CH2-CE2 3.59Å; W270-F452 HydrophobicContact CH2-CG 4.02Å; W270-F452 HydrophobicContact CH2-CZ 4.17Å; W270-F452 HydrophobicContact CZ2-CE2 4.49Å; W270-F452 HydrophobicContact CZ3-CB 4.25Å; W270-F452 HydrophobicContact CZ3-CD1 4.42Å; W270-F452 AromaticContact CZ3-CD2 3.83Å; W270-F452 HydrophobicContact CZ3-CD2 3.83Å; W270-F452 HydrophobicContact CZ3-CE2 4.31Å; W270-F452 AromaticContact CZ3-CG 3.89Å; W270-F452 HydrophobicContact CZ3-CG 3.89Å; W270-K457 HydrophobicContact CE3-CG 4.19Å; W270-I460 HydrophobicContact CD2-CG2 4.11Å; W270-I460 HydrophobicContact CE3-CB 4Å; W270-I460 HydrophobicContact CE3-CD1 4.38Å; W270-I460 HydrophobicContact CE3-CG2 3.61Å; W270-I460 HydrophobicContact CH2-CD1 4Å; W270-I460 HydrophobicContact CH2-CG2 4.21Å; W270-I460 HydrophobicContact CZ3-CB 3.99Å; W270-I460 HydrophobicContact CZ3-CD1 3.5Å; W270-I460 VanDerWaalsContact CZ3-CD1 3.5Å; W270-I460 HydrophobicContact CZ3-CG1 4.32Å; W270-I460 HydrophobicContact CZ3-CG2 3.69Å; W270-V461 VanDerWaalsContact C-CG2 3.49Å; W270-V461 HydrophobicContact CB-CG2 3.55Å; W270-V461 WeakPolarHBondContact O-CG2 3.29Å; W270-L464 HydrophobicContact CB-CD1 4.41Å; W270-L464 HydrophobicContact CD2-CD1 4.39Å; W270-L464 HydrophobicContact CG-CD1 4Å
271	D	87.5	Confident	89.5	Confident	41 Å²	41	37.2 Å²	37.2	22%	0.219	20%	0.202	C	C	.	.	S	Bend	trans	-154.7	-158.4	159.6	67.8	17.3	0	0	0	111.4	S269 E273 F274 V461 R465	S269-D271 PolarHBondContact OG-O 2.79Å; D271-E273 PolarHBondContact OD1-N 2.02Å; D271-F274 PolarHBondContact N-O 3.2Å; D271-F274 PolarHBondContact OD1-N 2.85Å; D271-V461 HydrophobicContact CB-CG2 4.26Å; D271-V461 VanDerWaalsContact OD2-CG1 3.26Å; D271-V461 WeakPolarHBondContact OD2-CG1 3.27Å; D271-R465 IonicContact OD1-NH2 3.09Å; D271-R465 IonicContact OD2-CZ 3.85Å; D271-R465 IonicContact OD2-NH1 3.7Å; D271-R465 PolarHBondContact OD2-NH1 3.16Å; D271-R465 IonicContact OD2-NH2 2.89Å; D271-R465 PolarHBondContact OD2-NH2 3.11Å
272	E	84.3	Confident	89.3	Confident	200 Å²	200	38 Å²	38	94%	0.935	21%	0.205	S	C	*	.	S	Bend	trans	-67.5	-28.1	178.9	-63.6	178.3	-172	0	0	114
273	E	84	Confident	89.1	Confident	106 Å²	106	38 Å²	38	50%	0.495	21%	0.205	S	C	.	.	S	Bend	trans	-95.4	-34.7	178.6	-67.9	179.1	163.8	0	0	111.3	H223 D271 R465	H223-E273 PolarHBondContact CE1-O 3.36Å; H223-E273 PolarHBondContact ND1-O 2.03Å; D271-E273 PolarHBondContact OD1-N 2.02Å; E273-R465 IonicContact OE2-CZ 3.39Å; E273-R465 VanDerWaalsContact OE2-CZ 3.23Å; E273-R465 IonicContact OE2-NE 3.27Å; E273-R465 PolarHBondContact OE2-NE 2.83Å; E273-R465 IonicContact OE2-NH2 3.23Å; E273-R465 PolarHBondContact OE2-NH2 3.43Å
274	F	86.2	Confident	89.4	Confident	1 Å²	1	36.3 Å²	36.3	0%	0.004	20%	0.196	C	C	.	.			trans	-105.7	97.7	-172.9	-69.5	-94.9	0	0	0	111.3	T221 H223 W270 D271 Y277 L464 R465	T221-F274 HydrophobicContact CG2-CE1 4.23Å; T221-F274 HydrophobicContact CG2-CZ 4.26Å; H223-F274 AromaticContact CE1-CE1 3.97Å; H223-F274 AromaticContact CE1-CE2 3.75Å; H223-F274 AromaticContact CE1-CZ 3.61Å; W270-F274 WeakPolarHBondContact CA-O 3Å; W270-F274 HydrophobicContact CB-CB 3.95Å; W270-F274 VanDerWaalsContact CB-O 3.27Å; W270-F274 WeakPolarHBondContact CB-O 3.35Å; W270-F274 PolarHBondContact N-O 3.44Å; D271-F274 PolarHBondContact N-O 3.2Å; D271-F274 PolarHBondContact OD1-N 2.85Å; F274-Y277 HydrophobicContact CB-CD2 4.25Å; F274-Y277 HydrophobicContact CB-CE2 4.25Å; F274-Y277 HydrophobicContact CD1-CD2 4.03Å; F274-Y277 HydrophobicContact CD1-CE1 4.03Å; F274-Y277 AromaticContact CD1-CE2 3.49Å; F274-Y277 HydrophobicContact CD1-CE2 3.49Å; F274-Y277 VanDerWaalsContact CD1-CE2 3.49Å; F274-Y277 AromaticContact CD1-CZ 3.5Å; F274-Y277 VanDerWaalsContact CD1-CZ 3.5Å; F274-Y277 HydrophobicContact CE1-CE1 4.24Å; F274-Y277 HydrophobicContact CE1-CE2 4.17Å; F274-Y277 AromaticContact CE1-CZ 3.75Å; F274-Y277 HydrophobicContact CG-CE2 4.21Å; F274-L464 HydrophobicContact CB-CD1 4.23Å; F274-L464 HydrophobicContact CD1-CB 3.57Å; F274-L464 HydrophobicContact CD1-CD1 3.95Å; F274-L464 HydrophobicContact CD1-CG 4.38Å; F274-L464 HydrophobicContact CE1-CB 3.72Å; F274-L464 HydrophobicContact CG-CB 4.34Å; F274-L464 HydrophobicContact CG-CD1 4.37Å; F274-R465 HydrophobicContact CD2-CG 4.17Å; F274-R465 HydrophobicContact CE1-CG 4.5Å; F274-R465 HydrophobicContact CE2-CG 3.29Å; F274-R465 HydrophobicContact CZ-CB 4.36Å; F274-R465 HydrophobicContact CZ-CG 3.49Å; F274-R465 VanDerWaalsContact CZ-CG 3.49Å
275	S	85.9	Confident	89.6	Confident	70 Å²	70	35 Å²	35	49%	0.49	19%	0.189	S	C	.	.			trans	-138.6	155.9	174	59	0	0	0	0	111.2	Y277	S275-Y277 WeakPolarHBondContact O-CD2 3.32Å; S275-Y277 PolarHBondContact O-N 3.24Å; S275-Y277 VanDerWaalsContact O-N 3.15Å
276	G	85.5	Confident	89.6	Confident	24 Å²	24	35 Å²	35	25%	0.247	19%	0.189	C	C	.	.	S	Bend	trans	68.1	8.4	-177.3	0	0	0	0	0	115.3	N226 R266	N226-G276 PolarHBondContact ND2-O 3.48Å; R266-G276 PolarHBondContact NH1-O 2.93Å
277	Y	92.1	Very high	89.8	Confident	1 Å²	1	33.8 Å²	33.8	0%	0.004	19%	0.185	C	C	.	.			trans	-71.6	133.7	175.5	-81.4	-102.8	0	0	0	110.7	H223 N226 Y265 R266 F274 S275 L464 A468 F472	H223-Y277 PolarHBondContact ND1-OH 3.42Å; N226-Y277 HydrophobicContact CB-CD1 4.13Å; N226-Y277 HydrophobicContact CB-CD2 4.1Å; N226-Y277 HydrophobicContact CB-CE1 4.22Å; N226-Y277 HydrophobicContact CB-CE2 4.18Å; N226-Y277 HydrophobicContact CB-CG 4.05Å; N226-Y277 CarbonylContact O-C 3.56Å; N226-Y277 VanDerWaalsContact O-CA 3.24Å; N226-Y277 WeakPolarHBondContact O-CA 2.99Å; Y265-Y277 CarbonylContact C-O 3.55Å; R266-Y277 PolarHBondContact N-O 2.04Å; F274-Y277 HydrophobicContact CB-CD2 4.25Å; F274-Y277 HydrophobicContact CB-CE2 4.25Å; F274-Y277 HydrophobicContact CD1-CD2 4.03Å; F274-Y277 HydrophobicContact CD1-CE1 4.03Å; F274-Y277 AromaticContact CD1-CE2 3.49Å; F274-Y277 HydrophobicContact CD1-CE2 3.49Å; F274-Y277 VanDerWaalsContact CD1-CE2 3.49Å; F274-Y277 AromaticContact CD1-CZ 3.5Å; F274-Y277 VanDerWaalsContact CD1-CZ 3.5Å; F274-Y277 HydrophobicContact CE1-CE1 4.24Å; F274-Y277 HydrophobicContact CE1-CE2 4.17Å; F274-Y277 AromaticContact CE1-CZ 3.75Å; F274-Y277 HydrophobicContact CG-CE2 4.21Å; S275-Y277 WeakPolarHBondContact O-CD2 3.32Å; S275-Y277 PolarHBondContact O-N 3.24Å; S275-Y277 VanDerWaalsContact O-N 3.15Å; Y277-L464 HydrophobicContact CD1-CD1 4.32Å; Y277-L464 HydrophobicContact CD1-CD2 4.05Å; Y277-L464 HydrophobicContact CG-CD1 4.21Å; Y277-A468 HydrophobicContact CE1-CB 4.29Å; Y277-F472 AromaticContact CD1-CD1 3.92Å; Y277-F472 HydrophobicContact CD1-CD1 3.92Å; Y277-F472 AromaticContact CD1-CE1 3.76Å; Y277-F472 HydrophobicContact CD1-CE1 3.76Å; Y277-F472 HydrophobicContact CE1-CD1 4.16Å; Y277-F472 HydrophobicContact CE1-CE1 4.38Å
278	G	93.1	Very high	90.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	-163.3	-173.5	0	0	0	0	0	113.7	N226 C228 D262	N226-G278 PolarHBondContact O-N 3.05Å; C228-G278 WeakPolarHBondContact CB-O 3.25Å; C228-G278 PolarHBondContact N-O 3.4Å; D262-G278 VanDerWaalsContact OD1-CA 3.28Å; D262-G278 WeakPolarHBondContact OD1-CA 3.46Å
279	V	94.5	Very high	90.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	169.3	-177.7	-65.1	0	0	0	0	111.2	C228 M230 I258 D262 R266 F413	C228-V279 HydrophobicContact CB-CG1 4.17Å; C228-V279 CarbonylContact O-C 3.48Å; C228-V279 VanDerWaalsContact O-CA 3.3Å; C228-V279 WeakPolarHBondContact O-CA 3.47Å; M230-V279 HydrophobicContact CG-CB 4.12Å; M230-V279 HydrophobicContact CG-CG1 4.26Å; M230-V279 HydrophobicContact SD-CB 3.67Å; M230-V279 HydrophobicContact SD-CG1 3.72Å; M230-V279 HydrophobicContact SD-CG2 4.08Å; I258-V279 HydrophobicContact CG2-CG2 4.01Å; D262-V279 HydrophobicContact CB-CG2 3.84Å; D262-V279 PolarHBondContact OD1-N 3.09Å; R266-V279 PolarHBondContact NH2-O 2.85Å; V279-F413 HydrophobicContact CG1-CE2 4.09Å; V279-F413 HydrophobicContact CG1-CZ 4.06Å
280	Q	91.3	Very high	90.6	Very high	7 Å²	7	30.6 Å²	30.6	3%	0.033	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	146.3	172.7	-166.8	178.9	44.7	0	0	109.9	E89 I90 F91 T92 T227 C228 P229 M230 Q282	E89-Q280 PolarHBondContact O-NE2 2.86Å; I90-Q280 WeakPolarHBondContact O-CG 3.43Å; F91-Q280 PolarHBondContact O-NE2 3.26Å; T92-Q280 HydrophobicContact CG2-CG 4.21Å; T227-Q280 HydrophobicContact CG2-CB 3.36Å; T227-Q280 HydrophobicContact CG2-CG 4.36Å; C228-Q280 PolarHBondContact O-N 3.22Å; P229-Q280 CarbonylContact C-O 3.43Å; P229-Q280 WeakPolarHBondContact CA-O 3.43Å; M230-Q280 PolarHBondContact N-O 2.95Å; Q280-Q282 PolarHBondContact O-N 2.89Å
281	I	91.4	Very high	90.7	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	119.4	-176	-46.9	175.9	0	0	0	109.9	I90 T92 F95 L232 I255 I258 I284	I90-I281 HydrophobicContact CG2-CD1 3.83Å; I90-I281 HydrophobicContact CG2-CG1 4.37Å; I90-I281 PolarHBondContact O-N 2.84Å; T92-I281 PolarHBondContact N-O 2.7Å; T92-I281 VanDerWaalsContact N-O 3.09Å; F95-I281 HydrophobicContact CD2-CB 4.38Å; F95-I281 HydrophobicContact CD2-CG2 3.99Å; F95-I281 HydrophobicContact CE2-CB 4.35Å; F95-I281 HydrophobicContact CE2-CG2 3.65Å; L232-I281 HydrophobicContact CD1-CD1 4.07Å; L232-I281 HydrophobicContact CD1-CG1 4.22Å; L232-I281 HydrophobicContact CD1-CG2 4.03Å; L232-I281 HydrophobicContact CG-CG2 4.25Å; I255-I281 HydrophobicContact CB-CD1 4.16Å; I255-I281 HydrophobicContact CG1-CD1 3.77Å; I255-I281 HydrophobicContact CG2-CD1 4.18Å; I258-I281 HydrophobicContact CB-CD1 4.1Å; I258-I281 HydrophobicContact CB-CG1 4.17Å; I258-I281 HydrophobicContact CG2-CD1 4.26Å; I258-I281 HydrophobicContact CG2-CG1 3.79Å; I281-I284 HydrophobicContact CG2-CD1 4.18Å; I281-I284 HydrophobicContact CG2-CG1 3.81Å
282	Q	89.3	Confident	90.7	Very high	15 Å²	15	39.3 Å²	39.3	7%	0.07	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-37.5	172.6	-171.3	178.9	-19.7	0	0	111.9	T92 D94 F95 K96 P229 M230 Q280 K473	T92-Q282 HydrophobicContact CG2-CB 3.86Å; T92-Q282 HydrophobicContact CG2-CG 4.17Å; D94-Q282 PolarHBondContact OD2-NE2 3.16Å; F95-Q282 WeakPolarHBondContact CA-O 3.37Å; K96-Q282 PolarHBondContact N-O 2.93Å; P229-Q282 HydrophobicContact CB-CB 3.96Å; M230-Q282 PolarHBondContact O-N 3.39Å; Q280-Q282 PolarHBondContact O-N 2.89Å; Q282-K473 VanDerWaalsContact CD-NZ 3.28Å
283	Q	90.4	Very high	91	Very high	9 Å²	9	32.4 Å²	32.4	4%	0.042	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	144	175.6	-179.4	170.1	-7.9	0	0	112.5	K96 M230 L231 L232 I285	K96-Q283 HydrophobicContact CD-CB 4.44Å; K96-Q283 HydrophobicContact CD-CG 4.14Å; K96-Q283 VanDerWaalsContact CE-OE1 3.26Å; K96-Q283 HydrophobicContact CG-CB 4.13Å; K96-Q283 HydrophobicContact CG-CG 4.07Å; K96-Q283 VanDerWaalsContact O-CA 3.29Å; K96-Q283 WeakPolarHBondContact O-CA 3.43Å; M230-Q283 PolarHBondContact O-N 2.82Å; M230-Q283 VanDerWaalsContact O-N 3.12Å; L231-Q283 CarbonylContact C-O 3.56Å; L231-Q283 WeakPolarHBondContact CA-O 2.97Å; L231-Q283 HydrophobicContact CD1-CB 3.74Å; L231-Q283 HydrophobicContact CD1-CG 3.65Å; L232-Q283 PolarHBondContact N-O 2.83Å; Q283-I285 HydrophobicContact CG-CG1 4.18Å; Q283-I285 VanDerWaalsContact NE2-CG1 3.31Å
284	I	93.8	Very high	91	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	138.5	164.4	-61.1	174.7	0	0	0	108.6	F95 K96 A97 V98 L232 I251 L254 I255 I281 I286	F95-I284 HydrophobicContact CE2-CD1 4.13Å; F95-I284 HydrophobicContact CE2-CG1 4.13Å; F95-I284 HydrophobicContact CZ-CD1 4.14Å; F95-I284 HydrophobicContact CZ-CG1 4.49Å; K96-I284 PolarHBondContact O-N 2.95Å; A97-I284 HydrophobicContact CB-CB 4.29Å; V98-I284 PolarHBondContact N-O 3.23Å; L232-I284 HydrophobicContact CB-CG1 4.28Å; L232-I284 HydrophobicContact CD1-CD1 4.44Å; L232-I284 HydrophobicContact CD1-CG1 4.14Å; L232-I284 HydrophobicContact CG-CG1 4.41Å; L232-I284 CarbonylContact O-C 3.58Å; L232-I284 WeakPolarHBondContact O-CA 3.45Å; I251-I284 HydrophobicContact CG2-CD1 4.1Å; L254-I284 HydrophobicContact CD1-CG2 3.94Å; I255-I284 HydrophobicContact CD1-CD1 4.01Å; I255-I284 HydrophobicContact CG1-CD1 3.72Å; I281-I284 HydrophobicContact CG2-CD1 4.18Å; I281-I284 HydrophobicContact CG2-CG1 3.81Å; I284-I286 HydrophobicContact CG2-CG1 4.32Å
285	I	94.6	Very high	90.7	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	128.5	168.4	-60.1	175.6	0	0	0	108.6	V98 L231 L232 V233 A234 Q283 I326	V98-I285 CarbonylContact O-C 3.59Å; V98-I285 VanDerWaalsContact O-CA 3.31Å; V98-I285 WeakPolarHBondContact O-CA 3.37Å; L231-I285 HydrophobicContact CD1-CD1 3.89Å; L231-I285 HydrophobicContact CD1-CG1 3.99Å; L232-I285 PolarHBondContact O-N 3.45Å; V233-I285 CarbonylContact C-O 3.59Å; V233-I285 WeakPolarHBondContact CA-O 3.29Å; V233-I285 HydrophobicContact CG1-CB 4.41Å; V233-I285 HydrophobicContact CG2-CB 4.34Å; A234-I285 PolarHBondContact N-O 3.24Å; Q283-I285 HydrophobicContact CG-CG1 4.18Å; Q283-I285 VanDerWaalsContact NE2-CG1 3.31Å; I285-I326 HydrophobicContact CD1-CD1 4.18Å
286	I	94.4	Very high	90.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	120.6	170	-67.1	172.4	0	0	0	109.1	V98 V99 E100 A234 Y239 T250 I251 I284 K288	V98-I286 PolarHBondContact O-N 3.28Å; V99-I286 HydrophobicContact CG2-CB 4.47Å; E100-I286 PolarHBondContact N-O 3.33Å; A234-I286 HydrophobicContact CB-CG1 4.25Å; Y239-I286 HydrophobicContact CD2-CG2 3.81Å; Y239-I286 HydrophobicContact CG-CG2 4.06Å; T250-I286 HydrophobicContact CG2-CD1 3.53Å; T250-I286 HydrophobicContact CG2-CG1 3.93Å; I251-I286 HydrophobicContact CD1-CD1 4.07Å; I251-I286 HydrophobicContact CG1-CD1 3.36Å; I284-I286 HydrophobicContact CG2-CG1 4.32Å; I286-K288 HydrophobicContact CG2-CG 4.13Å
287	Q	94.8	Very high	90.6	Very high	9 Å²	9	39.6 Å²	39.6	4%	0.042	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	117.7	164.9	-69.4	-69.7	-4	0	0	109.1	E100 A234 D235 H236 F300 N301	E100-Q287 PolarHBondContact OE1-NE2 2.99Å; E100-Q287 PolarHBondContact OE1-OE1 3.44Å; E100-Q287 PolarHBondContact OE2-NE2 2.91Å; A234-Q287 PolarHBondContact O-N 3.2Å; D235-Q287 CarbonylContact C-O 3.59Å; H236-Q287 VanDerWaalsContact CA-O 3.23Å; H236-Q287 WeakPolarHBondContact CA-O 3.45Å; H236-Q287 PolarHBondContact N-O 2.88Å; Q287-F300 HydrophobicContact CG-CZ 4.25Å; Q287-N301 WeakPolarHBondContact CB-ND2 3.26Å; Q287-N301 WeakPolarHBondContact CB-OD1 3.4Å; Q287-N301 HydrophobicContact CG-CB 4.2Å
288	K	92.9	Very high	90.5	Very high	27 Å²	27	41.3 Å²	41.3	12%	0.117	25%	0.247	C	C	.	.			trans	-86.8	-28.6	-178.4	-70.8	175.9	50.7	-178.6	0	114.2	V99 E100 D101 Y239 E247 I286	V99-K288 HydrophobicContact CG1-CD 3.21Å; V99-K288 HydrophobicContact CG1-CG 3.87Å; E100-K288 WeakPolarHBondContact O-CB 3.37Å; E100-K288 PolarHBondContact O-N 3.43Å; E100-K288 VanDerWaalsContact O-N 3.1Å; D101-K288 WeakPolarHBondContact OD1-CD 3.22Å; D101-K288 VanDerWaalsContact OD1-CE 3.31Å; D101-K288 WeakPolarHBondContact OD1-CE 3.46Å; D101-K288 IonicContact OD1-NZ 3.55Å; D101-K288 PolarHBondContact OD1-NZ 2.86Å; Y239-K288 HydrophobicContact CD1-CB 4.01Å; Y239-K288 HydrophobicContact CD1-CG 4.09Å; Y239-K288 WeakPolarHBondContact CD1-O 3.44Å; Y239-K288 HydrophobicContact CD2-CG 4.39Å; Y239-K288 HydrophobicContact CE1-CB 3.65Å; Y239-K288 HydrophobicContact CE1-CD 4.47Å; Y239-K288 HydrophobicContact CE1-CG 3.68Å; Y239-K288 HydrophobicContact CE2-CG 4.04Å; Y239-K288 HydrophobicContact CG-CG 4.42Å; Y239-K288 WeakPolarHBondContact OH-CE 3.47Å; E247-K288 HydrophobicContact CG-CD 4.3Å; E247-K288 WeakPolarHBondContact OE1-CD 3.29Å; E247-K288 WeakPolarHBondContact OE1-CE 3.36Å; E247-K288 IonicContact OE1-NZ 3.68Å; E247-K288 PolarHBondContact OE1-NZ 2.79Å; I286-K288 HydrophobicContact CG2-CG 4.13Å
289	Y	93.7	Very high	90.5	Very high	91 Å²	91	43 Å²	43	36%	0.357	25%	0.254	S	S	.	.	S	Bend	trans	-127.6	152.7	-173.8	-62.3	-84.4	0	0	0	109.6	E102 T291 N301	E102-Y289 HydrophobicContact CB-CD1 4.43Å; E102-Y289 HydrophobicContact CB-CD2 3.74Å; E102-Y289 HydrophobicContact CB-CE2 4.07Å; E102-Y289 HydrophobicContact CB-CG 3.92Å; E102-Y289 HydrophobicContact CG-CD1 4.41Å; E102-Y289 HydrophobicContact CG-CD2 4.49Å; E102-Y289 HydrophobicContact CG-CG 4.18Å; E102-Y289 VanDerWaalsContact N-CD2 3.29Å; Y289-T291 PolarHBondContact O-N 3.2Å; Y289-N301 PolarHBondContact O-ND2 3.05Å
290	P	93.4	Very high	90.5	Very high	29 Å²	29	43.2 Å²	43.2	19%	0.188	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-65.2	132.6	173.2	26.3	-32.6	0	0	0	110.3	E292 N301 R303	P290-E292 PolarHBondContact O-N 2.98Å; P290-N301 VanDerWaalsContact CA-O 3.23Å; P290-N301 WeakPolarHBondContact CA-O 3.26Å; P290-R303 HydrophobicContact CB-CB 3.82Å; P290-R303 HydrophobicContact CG-CB 4.22Å
291	T	91.1	Very high	90.7	Very high	42 Å²	42	42.9 Å²	42.9	26%	0.258	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-67.2	129.3	177.2	-50.1	0	0	0	0	110.2	Y289 H299 N301	Y289-T291 PolarHBondContact O-N 3.2Å; T291-H299 VanDerWaalsContact CB-ND1 3.25Å; T291-H299 WeakPolarHBondContact CB-ND1 3.49Å; T291-H299 HydrophobicContact CG2-CB 4.45Å; T291-H299 PolarHBondContact OG1-CE1 2.93Å; T291-H299 PolarHBondContact OG1-ND1 2.7Å; T291-N301 PolarHBondContact N-ND2 3.42Å; T291-N301 PolarHBondContact N-O 2.82Å; T291-N301 PolarHBondContact OG1-ND2 2.89Å
292	E	89	Confident	90.8	Very high	192 Å²	192	43.7 Å²	43.7	90%	0.897	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-68.9	137.6	171.9	-62.1	-156.3	141.4	0	0	110.7	P290	P290-E292 PolarHBondContact O-N 2.98Å
293	V	88.7	Confident	90.8	Very high	55 Å²	55	52 Å²	52	33%	0.333	29%	0.288	S	S	.	.			trans	-128.5	143.5	-178.8	-66.2	0	0	0	0	110.9	E297 H299 M302	V293-E297 HydrophobicContact CB-CB 4.45Å; V293-H299 HydrophobicContact CG1-CB 3.63Å; V293-M302 HydrophobicContact CG1-CB 4.02Å; V293-M302 HydrophobicContact CG2-CB 4.24Å; V293-M302 HydrophobicContact CG2-CE 3.87Å; V293-M302 HydrophobicContact CG2-SD 4.35Å
294	G	84.9	Confident	90.7	Very high	29 Å²	29	52.1 Å²	52.1	30%	0.299	29%	0.292	S	S	.	.			trans	-70.2	162.5	175.6	0	0	0	0	0	112.8	G296 E297	G294-G296 PolarHBondContact O-N 2.74Å; G294-G296 VanDerWaalsContact O-N 3.16Å; G294-E297 WeakPolarHBondContact O-CB 3.35Å; G294-E297 PolarHBondContact O-N 2.53Å
295	P	80.3	Confident	90.5	Very high	143 Å²	143	52.7 Å²	52.7	93%	0.929	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	119.2	176.8	-24	34.5	0	0	0	112.1	E297	P295-E297 VanDerWaalsContact C-N 3.3Å
296	G	81.2	Confident	90.2	Very high	89 Å²	89	55.4 Å²	55.4	92%	0.918	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	2.7	-176.2	0	0	0	0	0	114.9	G294	G294-G296 PolarHBondContact O-N 2.74Å; G294-G296 VanDerWaalsContact O-N 3.16Å
297	E	87.1	Confident	89.8	Confident	92 Å²	92	58.9 Å²	58.9	43%	0.43	34%	0.335	S	S	.	.			trans	-92.6	168.3	168.8	-53.3	-162.2	172.3	0	0	111	V293 G294 P295 K376	V293-E297 HydrophobicContact CB-CB 4.45Å; G294-E297 WeakPolarHBondContact O-CB 3.35Å; G294-E297 PolarHBondContact O-N 2.53Å; P295-E297 VanDerWaalsContact C-N 3.3Å; E297-K376 WeakPolarHBondContact OE1-CE 3.41Å; E297-K376 IonicContact OE1-NZ 3.42Å; E297-K376 PolarHBondContact OE1-NZ 3.01Å; E297-K376 IonicContact OE2-NZ 2.69Å; E297-K376 PolarHBondContact OE2-NZ 2.85Å
298	S	90.9	Very high	89	Confident	37 Å²	37	67.9 Å²	67.9	26%	0.259	38%	0.377	S	S	.	.			trans	-151	151.2	179.8	-68	0	0	0	0	109.7	P306 Q321	S298-P306 WeakPolarHBondContact OG-CB 3.41Å; S298-P306 WeakPolarHBondContact OG-CG 3.44Å; S298-Q321 PolarHBondContact O-NE2 3.12Å; S298-Q321 VanDerWaalsContact O-NE2 3.12Å
299	H	93.3	Very high	88.4	Confident	35 Å²	35	71.1 Å²	71.1	16%	0.162	42%	0.418	C	S	.	.			trans	-150.7	140.1	179	-176.7	-104.4	0	0	0	108.4	T291 V293 N301 M302 W313 D325	T291-H299 VanDerWaalsContact CB-ND1 3.25Å; T291-H299 WeakPolarHBondContact CB-ND1 3.49Å; T291-H299 HydrophobicContact CG2-CB 4.45Å; T291-H299 PolarHBondContact OG1-CE1 2.93Å; T291-H299 PolarHBondContact OG1-ND1 2.7Å; V293-H299 HydrophobicContact CG1-CB 3.63Å; H299-N301 PolarHBondContact ND1-N 3.09Å; H299-N301 PolarHBondContact O-N 2.89Å; H299-M302 WeakPolarHBondContact O-CB 3.46Å; H299-M302 VanDerWaalsContact O-CG 3.29Å; H299-M302 WeakPolarHBondContact O-CG 3.22Å; H299-M302 PolarHBondContact O-N 2.83Å; H299-W313 WeakPolarHBondContact O-CZ2 3.23Å; H299-D325 VanDerWaalsContact CA-OD2 3.28Å; H299-D325 WeakPolarHBondContact CA-OD2 3.48Å; H299-D325 IonicContact CD2-OD1 3.32Å; H299-D325 IonicContact CD2-OD2 2.98Å; H299-D325 PolarHBondContact CD2-OD2 3.01Å; H299-D325 IonicContact CG-OD2 3.7Å; H299-D325 IonicContact NE2-OD2 2.69Å
300	F	94.7	Very high	88	Confident	5 Å²	5	70.1 Å²	70.1	2%	0.022	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-30.8	-171.9	78.3	-80.8	0	0	0	113.5	V233 Q287 L318 Q321 F322 D325 L338	V233-F300 HydrophobicContact CG1-CE2 3.88Å; V233-F300 HydrophobicContact CG1-CZ 3.89Å; Q287-F300 HydrophobicContact CG-CZ 4.25Å; F300-L318 HydrophobicContact CB-CD1 3.99Å; F300-L318 WeakPolarHBondContact O-CD1 3.05Å; F300-Q321 HydrophobicContact CB-CG 4.26Å; F300-F322 HydrophobicContact CB-CB 3.98Å; F300-F322 HydrophobicContact CD1-CD2 4.3Å; F300-F322 AromaticContact CD2-CD2 3.86Å; F300-F322 HydrophobicContact CD2-CD2 3.86Å; F300-F322 HydrophobicContact CE1-CD2 4.49Å; F300-F322 HydrophobicContact CE2-CD2 4.08Å; F300-F322 HydrophobicContact CE2-CE2 4.41Å; F300-F322 HydrophobicContact CG-CB 4.3Å; F300-F322 AromaticContact CG-CD2 3.98Å; F300-F322 HydrophobicContact CG-CD2 3.98Å; F300-F322 HydrophobicContact CZ-CD2 4.39Å; F300-D325 HydrophobicContact CD1-CB 3.66Å; F300-D325 WeakPolarHBondContact CD1-OD2 2.95Å; F300-D325 HydrophobicContact CE1-CB 4.12Å; F300-D325 PolarHBondContact N-OD2 3.32Å; F300-L338 HydrophobicContact CD2-CD1 3.79Å; F300-L338 HydrophobicContact CD2-CD2 3.96Å; F300-L338 HydrophobicContact CE2-CD1 3.68Å
301	N	94.8	Very high	87.6	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	12.6	-179.4	180	60.9	0	0	0	113.8	H236 Q287 Y289 P290 T291 H299	H236-N301 PolarHBondContact CE1-O 3.28Å; H236-N301 PolarHBondContact N-OD1 2.95Å; H236-N301 PolarHBondContact ND1-O 3.07Å; H236-N301 VanDerWaalsContact ND1-O 3.13Å; H236-N301 PolarHBondContact ND1-OD1 2.92Å; Q287-N301 WeakPolarHBondContact CB-ND2 3.26Å; Q287-N301 WeakPolarHBondContact CB-OD1 3.4Å; Q287-N301 HydrophobicContact CG-CB 4.2Å; Y289-N301 PolarHBondContact O-ND2 3.05Å; P290-N301 VanDerWaalsContact CA-O 3.23Å; P290-N301 WeakPolarHBondContact CA-O 3.26Å; T291-N301 PolarHBondContact N-ND2 3.42Å; T291-N301 PolarHBondContact N-O 2.82Å; T291-N301 PolarHBondContact OG1-ND2 2.89Å; H299-N301 PolarHBondContact ND1-N 3.09Å; H299-N301 PolarHBondContact O-N 2.89Å
302	M	92.9	Very high	87.5	Confident	18 Å²	18	72.7 Å²	72.7	9%	0.089	43%	0.428	C	S	.	.	B	Isolated β-bridge	trans	-65.3	159	178.1	75	-172	-85.6	0	0	113	H236 V293 H299 P306 W313	H236-M302 PolarHBondContact CE1-O 3.2Å; V293-M302 HydrophobicContact CG1-CB 4.02Å; V293-M302 HydrophobicContact CG2-CB 4.24Å; V293-M302 HydrophobicContact CG2-CE 3.87Å; V293-M302 HydrophobicContact CG2-SD 4.35Å; H299-M302 WeakPolarHBondContact O-CB 3.46Å; H299-M302 VanDerWaalsContact O-CG 3.29Å; H299-M302 WeakPolarHBondContact O-CG 3.22Å; H299-M302 PolarHBondContact O-N 2.83Å; M302-P306 HydrophobicContact SD-CG 4.05Å; M302-W313 HydrophobicContact CG-CZ2 3.79Å; M302-W313 HydrophobicContact SD-CH2 4.36Å; M302-W313 HydrophobicContact SD-CZ2 3.68Å
303	R	90.1	Very high	87.6	Confident	188 Å²	188	63.7 Å²	63.7	71%	0.709	39%	0.385	S	S	*	.	S	Bend	trans	-68.4	132.9	170.4	-176.9	-177.8	-65.5	-82.6	1.7	110	P290	P290-R303 HydrophobicContact CB-CB 3.82Å; P290-R303 HydrophobicContact CG-CB 4.22Å
304	G	88.7	Confident	87.6	Confident	12 Å²	12	64.2 Å²	64.2	12%	0.124	39%	0.386	C	S	.	.	S	Bend	trans	67	-149.4	-175.7	0	0	0	0	0	112.2	R237 D311 W313	R237-G304 PolarHBondContact NH2-O 3.43Å; G304-D311 CarbonylContact C-O 3.51Å; G304-D311 VanDerWaalsContact C-O 3.27Å; G304-D311 WeakPolarHBondContact CA-O 3.5Å; G304-D311 WeakPolarHBondContact CA-OD1 3.45Å; G304-W313 PolarHBondContact O-NE1 3.38Å
305	S	89.5	Confident	87.6	Confident	13 Å²	13	64.2 Å²	64.2	9%	0.091	38%	0.38	C	S	.	.			trans	-124.8	171.4	173.8	81.6	0	0	0	0	111.5	V307 K310	S305-V307 PolarHBondContact O-N 3.4Å; S305-V307 VanDerWaalsContact O-N 3.08Å; S305-V307 PolarHBondContact OG-N 3.43Å; S305-V307 PolarHBondContact OG-O 2.64Å; S305-K310 WeakPolarHBondContact CB-O 3.21Å; S305-K310 PolarHBondContact N-O 3.49Å; S305-K310 PolarHBondContact OG-O 2.82Å
306	P	87.3	Confident	87.8	Confident	58 Å²	58	60.4 Å²	60.4	38%	0.377	35%	0.349	S	S	.	.	S	Bend	trans	-65.9	-3.4	173.5	-22.3	35.3	0	0	0	114.9	S298 M302 W313	S298-P306 WeakPolarHBondContact OG-CB 3.41Å; S298-P306 WeakPolarHBondContact OG-CG 3.44Å; M302-P306 HydrophobicContact SD-CG 4.05Å; P306-W313 HydrophobicContact CG-CE3 4.22Å; P306-W313 HydrophobicContact CG-CH2 3.35Å; P306-W313 HydrophobicContact CG-CZ2 3.76Å; P306-W313 HydrophobicContact CG-CZ3 3.62Å
307	V	85.9	Confident	88.2	Confident	73 Å²	73	61.2 Å²	61.2	44%	0.442	33%	0.327	S	S	.	.	S	Bend	trans	-102.8	115.2	177.6	-178.8	0	0	0	0	108.8	S305 G309 K310	S305-V307 PolarHBondContact O-N 3.4Å; S305-V307 VanDerWaalsContact O-N 3.08Å; S305-V307 PolarHBondContact OG-N 3.43Å; S305-V307 PolarHBondContact OG-O 2.64Å; V307-G309 PolarHBondContact O-N 3.23Å; V307-K310 HydrophobicContact CB-CB 4.22Å; V307-K310 HydrophobicContact CG1-CB 4.32Å; V307-K310 PolarHBondContact O-N 2.9Å
308	E	79.4	Confident	88.5	Confident	198 Å²	198	56.8 Å²	56.8	93%	0.925	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	129.6	178.1	-67.5	-170.6	167.5	0	0	111.5	K310	E308-K310 VanDerWaalsContact C-N 3.32Å; E308-K310 PolarHBondContact O-N 2.87Å
309	G	80.1	Confident	88.5	Confident	95 Å²	95	55.1 Å²	55.1	98%	0.979	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	-7.4	-178.6	0	0	0	0	0	116	V307	V307-G309 PolarHBondContact O-N 3.23Å
310	K	84.4	Confident	88.3	Confident	70 Å²	70	55.8 Å²	55.8	30%	0.304	30%	0.298	S	S	.	.			trans	-105.8	118.2	172.9	-162.1	-174.3	-179.8	-176.1	0	111	S305 V307 E308 V312 D345	S305-K310 WeakPolarHBondContact CB-O 3.21Å; S305-K310 PolarHBondContact N-O 3.49Å; S305-K310 PolarHBondContact OG-O 2.82Å; V307-K310 HydrophobicContact CB-CB 4.22Å; V307-K310 HydrophobicContact CG1-CB 4.32Å; V307-K310 PolarHBondContact O-N 2.9Å; E308-K310 VanDerWaalsContact C-N 3.32Å; E308-K310 PolarHBondContact O-N 2.87Å; K310-V312 VanDerWaalsContact CD-O 3.23Å; K310-V312 WeakPolarHBondContact CD-O 3.34Å; K310-V312 WeakPolarHBondContact CE-O 3.45Å; K310-V312 WeakPolarHBondContact CG-O 3.4Å; K310-D345 IonicContact NZ-OD1 3.12Å; K310-D345 IonicContact NZ-OD2 3.61Å; K310-D345 PolarHBondContact NZ-OD2 2.86Å
311	D	86.3	Confident	88.1	Confident	95 Å²	95	57.6 Å²	57.6	51%	0.508	31%	0.306	S	S	.	.			trans	-79.2	-34	178.2	-175.9	76.7	0	0	0	113.3	R237 G304	R237-D311 IonicContact CZ-OD2 2.59Å; R237-D311 PolarHBondContact NH1-O 2.64Å; R237-D311 IonicContact NH1-OD2 3.8Å; R237-D311 PolarHBondContact NH1-OD2 3.24Å; R237-D311 PolarHBondContact NH2-O 3.33Å; G304-D311 CarbonylContact C-O 3.51Å; G304-D311 VanDerWaalsContact C-O 3.27Å; G304-D311 WeakPolarHBondContact CA-O 3.5Å; G304-D311 WeakPolarHBondContact CA-OD1 3.45Å
312	V	88.1	Confident	88.1	Confident	30 Å²	30	57.6 Å²	57.6	18%	0.182	31%	0.306	C	S	.	.	S	Bend	trans	-85.7	134.3	179.2	178.2	0	0	0	0	110.5	K310 D343 F344	K310-V312 VanDerWaalsContact CD-O 3.23Å; K310-V312 WeakPolarHBondContact CD-O 3.34Å; K310-V312 WeakPolarHBondContact CE-O 3.45Å; K310-V312 WeakPolarHBondContact CG-O 3.4Å; V312-D343 WeakPolarHBondContact CG1-O 3.32Å; V312-F344 HydrophobicContact CG1-CD1 4.07Å
313	W	91.3	Very high	88.1	Confident	3 Å²	3	56.7 Å²	56.7	1%	0.011	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-67.4	151.6	174.4	-82.9	72.5	0	0	0	113.6	H299 M302 G304 P306 V315 K317 L318 Q321 F344	H299-W313 WeakPolarHBondContact O-CZ2 3.23Å; M302-W313 HydrophobicContact CG-CZ2 3.79Å; M302-W313 HydrophobicContact SD-CH2 4.36Å; M302-W313 HydrophobicContact SD-CZ2 3.68Å; G304-W313 PolarHBondContact O-NE1 3.38Å; P306-W313 HydrophobicContact CG-CE3 4.22Å; P306-W313 HydrophobicContact CG-CH2 3.35Å; P306-W313 HydrophobicContact CG-CZ2 3.76Å; P306-W313 HydrophobicContact CG-CZ3 3.62Å; W313-V315 PolarHBondContact O-N 3.23Å; W313-K317 HydrophobicContact CE3-CB 4.15Å; W313-K317 HydrophobicContact CZ3-CB 4.2Å; W313-L318 HydrophobicContact CB-CB 3.98Å; W313-L318 HydrophobicContact CB-CD2 4.33Å; W313-L318 HydrophobicContact CD2-CB 4.08Å; W313-L318 HydrophobicContact CD2-CD1 3.75Å; W313-L318 HydrophobicContact CD2-CG 4.46Å; W313-L318 HydrophobicContact CE3-CB 3.8Å; W313-L318 HydrophobicContact CE3-CD1 4.04Å; W313-L318 HydrophobicContact CG-CB 4.21Å; W313-L318 HydrophobicContact CG-CD1 3.98Å; W313-L318 HydrophobicContact CG-CG 4.48Å; W313-Q321 HydrophobicContact CH2-CB 4Å; W313-Q321 HydrophobicContact CH2-CG 3.82Å; W313-Q321 HydrophobicContact CZ3-CB 3.97Å; W313-Q321 HydrophobicContact CZ3-CG 4.31Å; W313-F344 HydrophobicContact CB-CE1 4.42Å
314	D	88.4	Confident	88.1	Confident	66 Å²	66	48.6 Å²	48.6	35%	0.353	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-66.1	125.5	153.5	173.2	-65	0	0	0	108.4	K316 K317 L318	D314-K316 VanDerWaalsContact C-N 3.29Å; D314-K316 PolarHBondContact O-N 2.76Å; D314-K316 WeakPolarHBondContact OD1-CA 3.14Å; D314-K316 WeakPolarHBondContact OD1-CB 3.42Å; D314-K316 PolarHBondContact OD1-N 2.87Å; D314-K317 HydrophobicContact CB-CB 4.08Å; D314-K317 HydrophobicContact CB-CD 3.99Å; D314-K317 HydrophobicContact CB-CG 4.05Å; D314-K317 PolarHBondContact O-N 2.85Å; D314-K317 PolarHBondContact OD1-N 3.06Å; D314-L318 PolarHBondContact O-N 2.88Å
315	V	85.8	Confident	88.3	Confident	28 Å²	28	49.8 Å²	49.8	17%	0.17	28%	0.277	C	S	.	.	H	α-helix	trans	-61.7	-35.2	-172.1	67.4	0	0	0	0	112.8	W313 L319 F344 T348 L351 L386	W313-V315 PolarHBondContact O-N 3.23Å; V315-L319 PolarHBondContact O-N 3.34Å; V315-L319 VanDerWaalsContact O-N 3.12Å; V315-F344 HydrophobicContact CB-CD1 4Å; V315-F344 HydrophobicContact CB-CD2 4.32Å; V315-F344 HydrophobicContact CB-CE1 4.26Å; V315-F344 HydrophobicContact CB-CG 4.05Å; V315-F344 HydrophobicContact CG2-CD1 4.34Å; V315-F344 HydrophobicContact CG2-CD2 3.88Å; V315-F344 HydrophobicContact CG2-CE1 4.34Å; V315-F344 HydrophobicContact CG2-CE2 3.86Å; V315-F344 HydrophobicContact CG2-CG 4.13Å; V315-F344 HydrophobicContact CG2-CZ 4.1Å; V315-T348 HydrophobicContact CG1-CG2 4.2Å; V315-T348 HydrophobicContact CG2-CG2 4.15Å; V315-L351 HydrophobicContact CG1-CD2 4.43Å; V315-L351 HydrophobicContact CG2-CB 3.88Å; V315-L351 HydrophobicContact CG2-CD2 4.39Å; V315-L386 HydrophobicContact CG2-CD1 4.03Å
316	K	84.3	Confident	88.4	Confident	63 Å²	63	49.4 Å²	49.4	27%	0.274	27%	0.274	S	S	.	.	H	α-helix	trans	-71.8	-44.6	177.2	178.9	172.6	173.6	170.6	0	111.1	L196 D314 L318 L319 E320 L351	L196-K316 PolarHBondContact O-NZ 3.29Å; D314-K316 VanDerWaalsContact C-N 3.29Å; D314-K316 PolarHBondContact O-N 2.76Å; D314-K316 WeakPolarHBondContact OD1-CA 3.14Å; D314-K316 WeakPolarHBondContact OD1-CB 3.42Å; D314-K316 PolarHBondContact OD1-N 2.87Å; K316-L318 VanDerWaalsContact C-N 3.27Å; K316-L318 PolarHBondContact O-N 3.32Å; K316-L319 PolarHBondContact O-N 2.96Å; K316-E320 WeakPolarHBondContact CE-OE1 3.4Å; K316-E320 HydrophobicContact CG-CG 4.49Å; K316-E320 IonicContact NZ-OE1 2.6Å; K316-E320 WeakPolarHBondContact O-CB 3.36Å; K316-E320 WeakPolarHBondContact O-CG 3.42Å; K316-E320 PolarHBondContact O-N 3.35Å; K316-L351 VanDerWaalsContact CA-CD2 3.49Å; K316-L351 HydrophobicContact CB-CD2 3.99Å; K316-L351 HydrophobicContact CG-CD2 4.46Å
317	K	89.1	Confident	88.5	Confident	106 Å²	106	46.7 Å²	46.7	46%	0.461	26%	0.256	S	S	.	.	H	α-helix	trans	-62.9	-34.8	175.7	-65.7	-177.5	-171.7	175.8	0	112	W313 D314 Q321	W313-K317 HydrophobicContact CE3-CB 4.15Å; W313-K317 HydrophobicContact CZ3-CB 4.2Å; D314-K317 HydrophobicContact CB-CB 4.08Å; D314-K317 HydrophobicContact CB-CD 3.99Å; D314-K317 HydrophobicContact CB-CG 4.05Å; D314-K317 PolarHBondContact O-N 2.85Å; D314-K317 PolarHBondContact OD1-N 3.06Å; K317-Q321 WeakPolarHBondContact O-CB 3.24Å; K317-Q321 PolarHBondContact O-N 3.05Å
318	L	92.8	Very high	88.6	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-66.2	-44.4	175.7	-176.4	64.2	0	0	0	111.5	F300 W313 D314 K316 Q321 F322 L338 F344 L386	F300-L318 HydrophobicContact CB-CD1 3.99Å; F300-L318 WeakPolarHBondContact O-CD1 3.05Å; W313-L318 HydrophobicContact CB-CB 3.98Å; W313-L318 HydrophobicContact CB-CD2 4.33Å; W313-L318 HydrophobicContact CD2-CB 4.08Å; W313-L318 HydrophobicContact CD2-CD1 3.75Å; W313-L318 HydrophobicContact CD2-CG 4.46Å; W313-L318 HydrophobicContact CE3-CB 3.8Å; W313-L318 HydrophobicContact CE3-CD1 4.04Å; W313-L318 HydrophobicContact CG-CB 4.21Å; W313-L318 HydrophobicContact CG-CD1 3.98Å; W313-L318 HydrophobicContact CG-CG 4.48Å; D314-L318 PolarHBondContact O-N 2.88Å; K316-L318 VanDerWaalsContact C-N 3.27Å; K316-L318 PolarHBondContact O-N 3.32Å; L318-Q321 PolarHBondContact O-N 2.84Å; L318-F322 VanDerWaalsContact O-CB 3.22Å; L318-F322 WeakPolarHBondContact O-CB 3.18Å; L318-F322 PolarHBondContact O-N 2.82Å; L318-L338 HydrophobicContact CD1-CD2 4.31Å; L318-L338 HydrophobicContact CD2-CD2 4.22Å; L318-L338 HydrophobicContact CG-CD2 4.1Å; L318-F344 HydrophobicContact CD2-CE1 3.96Å; L318-F344 HydrophobicContact CD2-CZ 3.66Å; L318-L386 HydrophobicContact CB-CD2 4.19Å; L318-L386 HydrophobicContact CD2-CD2 3.98Å; L318-L386 HydrophobicContact CG-CD2 3.98Å
319	L	91	Very high	89.1	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-63.8	-44.9	175.8	-179.7	61	0	0	0	111.8	V189 V315 K316 F322 S323 L351 Y353 L386	V189-L319 HydrophobicContact CG2-CD2 4.47Å; V315-L319 PolarHBondContact O-N 3.34Å; V315-L319 VanDerWaalsContact O-N 3.12Å; K316-L319 PolarHBondContact O-N 2.96Å; L319-F322 PolarHBondContact O-N 3.4Å; L319-S323 WeakPolarHBondContact O-CB 3.26Å; L319-S323 PolarHBondContact O-N 3.07Å; L319-S323 PolarHBondContact O-OG 3.29Å; L319-L351 HydrophobicContact CB-CD2 4.03Å; L319-L351 HydrophobicContact CD2-CB 4.19Å; L319-L351 HydrophobicContact CD2-CD2 3.79Å; L319-L351 HydrophobicContact CD2-CG 3.64Å; L319-Y353 HydrophobicContact CD1-CD2 4.28Å; L319-Y353 HydrophobicContact CD1-CE2 4.07Å; L319-Y353 HydrophobicContact CD2-CD2 3.87Å; L319-Y353 HydrophobicContact CD2-CE2 3.72Å; L319-Y353 HydrophobicContact CG-CD2 4.09Å; L319-Y353 HydrophobicContact CG-CE2 3.58Å; L319-L386 HydrophobicContact CB-CD2 3.8Å; L319-L386 HydrophobicContact CD1-CD2 4.44Å
320	E	88.6	Confident	89.6	Confident	49 Å²	49	36.7 Å²	36.7	23%	0.229	18%	0.18	C	C	.	.	H	α-helix	trans	-59.8	-47.4	176.9	-76.3	178.6	172.4	0	0	111.1	P198 K316 S323 V324 Y353	P198-E320 HydrophobicContact CG-CG 4.35Å; K316-E320 WeakPolarHBondContact CE-OE1 3.4Å; K316-E320 HydrophobicContact CG-CG 4.49Å; K316-E320 IonicContact NZ-OE1 2.6Å; K316-E320 WeakPolarHBondContact O-CB 3.36Å; K316-E320 WeakPolarHBondContact O-CG 3.42Å; K316-E320 PolarHBondContact O-N 3.35Å; E320-S323 PolarHBondContact O-N 3.02Å; E320-V324 WeakPolarHBondContact O-CG2 3.33Å; E320-V324 PolarHBondContact O-N 2.92Å; E320-Y353 WeakPolarHBondContact CG-OH 3.46Å
321	Q	91.9	Very high	89.9	Confident	43 Å²	43	36.3 Å²	36.3	20%	0.201	19%	0.186	C	C	.	.	H	α-helix	trans	-64.9	-47.6	178.3	-175.9	68.5	58.5	0	0	112.1	S298 F300 W313 K317 L318 S323 V324 D325	S298-Q321 PolarHBondContact O-NE2 3.12Å; S298-Q321 VanDerWaalsContact O-NE2 3.12Å; F300-Q321 HydrophobicContact CB-CG 4.26Å; W313-Q321 HydrophobicContact CH2-CB 4Å; W313-Q321 HydrophobicContact CH2-CG 3.82Å; W313-Q321 HydrophobicContact CZ3-CB 3.97Å; W313-Q321 HydrophobicContact CZ3-CG 4.31Å; K317-Q321 WeakPolarHBondContact O-CB 3.24Å; K317-Q321 PolarHBondContact O-N 3.05Å; L318-Q321 PolarHBondContact O-N 2.84Å; Q321-S323 VanDerWaalsContact C-N 3.26Å; Q321-S323 PolarHBondContact O-N 3.33Å; Q321-V324 WeakPolarHBondContact O-CB 3.44Å; Q321-V324 PolarHBondContact O-N 3.45Å; Q321-D325 VanDerWaalsContact CG-OD2 3.31Å; Q321-D325 WeakPolarHBondContact CG-OD2 3.45Å; Q321-D325 VanDerWaalsContact NE2-CG 3.26Å; Q321-D325 PolarHBondContact NE2-OD1 3.28Å; Q321-D325 PolarHBondContact NE2-OD2 2.91Å; Q321-D325 PolarHBondContact O-N 2.68Å
322	F	94.9	Very high	90	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-54.3	-44.7	176	172.9	-118.9	0	0	0	111.3	V233 F300 L318 L319 V324 D325 I326 L338 T384	V233-F322 HydrophobicContact CB-CE2 3.96Å; V233-F322 HydrophobicContact CB-CZ 4.25Å; V233-F322 HydrophobicContact CG1-CE2 4.26Å; V233-F322 HydrophobicContact CG2-CE2 3.88Å; V233-F322 HydrophobicContact CG2-CZ 4.02Å; F300-F322 HydrophobicContact CB-CB 3.98Å; F300-F322 HydrophobicContact CD1-CD2 4.3Å; F300-F322 AromaticContact CD2-CD2 3.86Å; F300-F322 HydrophobicContact CD2-CD2 3.86Å; F300-F322 HydrophobicContact CE1-CD2 4.49Å; F300-F322 HydrophobicContact CE2-CD2 4.08Å; F300-F322 HydrophobicContact CE2-CE2 4.41Å; F300-F322 HydrophobicContact CG-CB 4.3Å; F300-F322 AromaticContact CG-CD2 3.98Å; F300-F322 HydrophobicContact CG-CD2 3.98Å; F300-F322 HydrophobicContact CZ-CD2 4.39Å; L318-F322 VanDerWaalsContact O-CB 3.22Å; L318-F322 WeakPolarHBondContact O-CB 3.18Å; L318-F322 PolarHBondContact O-N 2.82Å; L319-F322 PolarHBondContact O-N 3.4Å; F322-V324 PolarHBondContact O-N 3.38Å; F322-D325 PolarHBondContact O-N 3.06Å; F322-I326 HydrophobicContact CD1-CG2 4.41Å; F322-I326 HydrophobicContact CD2-CB 4.12Å; F322-I326 HydrophobicContact CD2-CG2 4.12Å; F322-I326 HydrophobicContact CE1-CG2 4.16Å; F322-I326 HydrophobicContact CE2-CB 3.8Å; F322-I326 HydrophobicContact CE2-CG1 3.9Å; F322-I326 HydrophobicContact CE2-CG2 3.84Å; F322-I326 HydrophobicContact CG-CG2 4.4Å; F322-I326 HydrophobicContact CZ-CB 4.27Å; F322-I326 HydrophobicContact CZ-CG1 4.22Å; F322-I326 HydrophobicContact CZ-CG2 3.87Å; F322-I326 WeakPolarHBondContact O-CB 3.4Å; F322-I326 WeakPolarHBondContact O-CG2 3.08Å; F322-I326 PolarHBondContact O-N 3.47Å; F322-L338 HydrophobicContact CB-CD2 4.13Å; F322-L338 HydrophobicContact CD1-CB 3.86Å; F322-L338 HydrophobicContact CD1-CD2 4.49Å; F322-L338 HydrophobicContact CD2-CB 4.07Å; F322-L338 HydrophobicContact CD2-CD1 4.33Å; F322-L338 HydrophobicContact CD2-CD2 4.11Å; F322-L338 HydrophobicContact CD2-CG 4.41Å; F322-L338 HydrophobicContact CE1-CB 3.68Å; F322-L338 HydrophobicContact CE2-CB 3.9Å; F322-L338 HydrophobicContact CE2-CD1 4.27Å; F322-L338 HydrophobicContact CG-CB 4.05Å; F322-L338 HydrophobicContact CG-CD2 4Å; F322-L338 HydrophobicContact CZ-CB 3.71Å; F322-T384 HydrophobicContact CD1-CG2 4.2Å; F322-T384 HydrophobicContact CE1-CG2 3.94Å
323	S	92.1	Very high	90.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-66.2	-18.2	-179.4	-56.3	0	0	0	0	114.5	L319 E320 Q321 Y353 I380 C381 T384	L319-S323 WeakPolarHBondContact O-CB 3.26Å; L319-S323 PolarHBondContact O-N 3.07Å; L319-S323 PolarHBondContact O-OG 3.29Å; E320-S323 PolarHBondContact O-N 3.02Å; Q321-S323 VanDerWaalsContact C-N 3.26Å; Q321-S323 PolarHBondContact O-N 3.33Å; S323-Y353 WeakPolarHBondContact OG-CE2 3.4Å; S323-I380 WeakPolarHBondContact O-CG1 3.4Å; S323-C381 WeakPolarHBondContact CB-O 3.32Å; S323-C381 PolarHBondContact O-N 3.15Å; S323-C381 VanDerWaalsContact O-N 3.07Å; S323-T384 WeakPolarHBondContact OG-CB 3.4Å; S323-T384 PolarHBondContact OG-OG1 2.8Å
324	V	90.6	Very high	90.3	Very high	17 Å²	17	34.1 Å²	34.1	10%	0.103	18%	0.18	C	C	.	.	H	α-helix	trans	-88.8	-47.8	172.1	174.6	0	0	0	0	110.8	E320 Q321 F322 I326 A327 N375 I380	E320-V324 WeakPolarHBondContact O-CG2 3.33Å; E320-V324 PolarHBondContact O-N 2.92Å; Q321-V324 WeakPolarHBondContact O-CB 3.44Å; Q321-V324 PolarHBondContact O-N 3.45Å; F322-V324 PolarHBondContact O-N 3.38Å; V324-I326 PolarHBondContact O-N 2.79Å; V324-A327 VanDerWaalsContact O-CB 3.31Å; V324-A327 WeakPolarHBondContact O-CB 3.5Å; V324-A327 PolarHBondContact O-N 2.76Å; V324-N375 HydrophobicContact CG1-CB 3.94Å; V324-N375 WeakPolarHBondContact CG1-ND2 3.2Å; V324-N375 WeakPolarHBondContact CG2-ND2 3.5Å; V324-I380 HydrophobicContact CG2-CB 4.21Å; V324-I380 HydrophobicContact CG2-CD1 3.64Å; V324-I380 HydrophobicContact CG2-CG1 3.73Å
325	D	91.9	Very high	90.7	Very high	37 Å²	37	31 Å²	31	20%	0.198	16%	0.163	C	C	.	.	H	α-helix	trans	-69.6	-34.5	-174.8	-64.4	-26.2	0	0	0	112.5	H299 F300 Q321 F322	H299-D325 VanDerWaalsContact CA-OD2 3.28Å; H299-D325 WeakPolarHBondContact CA-OD2 3.48Å; H299-D325 IonicContact CD2-OD1 3.32Å; H299-D325 IonicContact CD2-OD2 2.98Å; H299-D325 PolarHBondContact CD2-OD2 3.01Å; H299-D325 IonicContact CG-OD2 3.7Å; H299-D325 IonicContact NE2-OD2 2.69Å; F300-D325 HydrophobicContact CD1-CB 3.66Å; F300-D325 WeakPolarHBondContact CD1-OD2 2.95Å; F300-D325 HydrophobicContact CE1-CB 4.12Å; F300-D325 PolarHBondContact N-OD2 3.32Å; Q321-D325 VanDerWaalsContact CG-OD2 3.31Å; Q321-D325 WeakPolarHBondContact CG-OD2 3.45Å; Q321-D325 VanDerWaalsContact NE2-CG 3.26Å; Q321-D325 PolarHBondContact NE2-OD1 3.28Å; Q321-D325 PolarHBondContact NE2-OD2 2.91Å; Q321-D325 PolarHBondContact O-N 2.68Å; F322-D325 PolarHBondContact O-N 3.06Å
326	I	92.2	Very high	91.2	Very high	6 Å²	6	29.7 Å²	29.7	3%	0.031	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	2.4	-179.6	-151.3	59.3	0	0	0	113.3	L231 V233 I285 F322 V324 E328 N329 A330 T384	L231-I326 HydrophobicContact CD2-CD1 4.07Å; L231-I326 HydrophobicContact CD2-CG1 3.66Å; V233-I326 HydrophobicContact CG2-CD1 3.96Å; V233-I326 HydrophobicContact CG2-CG1 4.16Å; I285-I326 HydrophobicContact CD1-CD1 4.18Å; F322-I326 HydrophobicContact CD1-CG2 4.41Å; F322-I326 HydrophobicContact CD2-CB 4.12Å; F322-I326 HydrophobicContact CD2-CG2 4.12Å; F322-I326 HydrophobicContact CE1-CG2 4.16Å; F322-I326 HydrophobicContact CE2-CB 3.8Å; F322-I326 HydrophobicContact CE2-CG1 3.9Å; F322-I326 HydrophobicContact CE2-CG2 3.84Å; F322-I326 HydrophobicContact CG-CG2 4.4Å; F322-I326 HydrophobicContact CZ-CB 4.27Å; F322-I326 HydrophobicContact CZ-CG1 4.22Å; F322-I326 HydrophobicContact CZ-CG2 3.87Å; F322-I326 WeakPolarHBondContact O-CB 3.4Å; F322-I326 WeakPolarHBondContact O-CG2 3.08Å; F322-I326 PolarHBondContact O-N 3.47Å; V324-I326 PolarHBondContact O-N 2.79Å; I326-E328 VanDerWaalsContact C-N 3.35Å; I326-E328 PolarHBondContact O-N 2.79Å; I326-N329 HydrophobicContact CD1-CB 4.13Å; I326-N329 HydrophobicContact CG1-CB 4.25Å; I326-N329 PolarHBondContact O-N 3.44Å; I326-A330 HydrophobicContact CG2-CB 4Å; I326-A330 WeakPolarHBondContact O-CB 3.37Å; I326-A330 PolarHBondContact O-N 3.26Å; I326-T384 HydrophobicContact CG2-CG2 4.25Å
327	A	90.4	Very high	91.9	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.008	14%	0.142	C	C	.	.	H	α-helix	trans	-56.2	-41.8	-165	0	0	0	0	0	114	V324 A330 S331 F379 C381	V324-A327 VanDerWaalsContact O-CB 3.31Å; V324-A327 WeakPolarHBondContact O-CB 3.5Å; V324-A327 PolarHBondContact O-N 2.76Å; A327-A330 PolarHBondContact O-N 3.21Å; A327-S331 WeakPolarHBondContact O-CB 3.39Å; A327-S331 PolarHBondContact O-N 3.28Å; A327-F379 HydrophobicContact CB-CD2 3.77Å; A327-F379 HydrophobicContact CB-CE2 3.72Å; A327-C381 HydrophobicContact CB-CB 4.31Å; A327-C381 PolarHBondContact O-SG 2.69Å
328	E	87.8	Confident	92.4	Very high	124 Å²	124	21.7 Å²	21.7	58%	0.579	12%	0.12	S	C	*	.	H	α-helix	trans	-58.6	-49.9	175.9	-65	-167.4	166.3	0	0	111.6	I326 S331 F379	I326-E328 VanDerWaalsContact C-N 3.35Å; I326-E328 PolarHBondContact O-N 2.79Å; E328-S331 PolarHBondContact O-N 3.26Å; E328-S331 PolarHBondContact O-OG 3.31Å; E328-F379 HydrophobicContact CG-CZ 4Å
329	N	90.1	Very high	92.6	Very high	32 Å²	32	21.7 Å²	21.7	17%	0.171	12%	0.12	C	C	.	.	H	α-helix	trans	-68.1	-44.2	179.4	-73.6	105.8	0	0	0	111.9	L231 I326 S331 S332	L231-N329 HydrophobicContact CD2-CB 3.64Å; I326-N329 HydrophobicContact CD1-CB 4.13Å; I326-N329 HydrophobicContact CG1-CB 4.25Å; I326-N329 PolarHBondContact O-N 3.44Å; N329-S331 VanDerWaalsContact C-N 3.26Å; N329-S331 PolarHBondContact O-N 2.02Å; N329-S332 PolarHBondContact O-N 3.44Å; N329-S332 VanDerWaalsContact O-N 3.15Å; N329-S332 PolarHBondContact O-OG 3.48Å
330	A	90.5	Very high	92.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.3	-30.1	178.8	0	0	0	0	0	113.5	I326 A327 S332 V333 A336 C381 N383	I326-A330 HydrophobicContact CG2-CB 4Å; I326-A330 WeakPolarHBondContact O-CB 3.37Å; I326-A330 PolarHBondContact O-N 3.26Å; A327-A330 PolarHBondContact O-N 3.21Å; A330-S332 PolarHBondContact O-N 3.17Å; A330-S332 VanDerWaalsContact O-N 3.15Å; A330-V333 WeakPolarHBondContact O-CG2 3.36Å; A330-V333 PolarHBondContact O-N 2.99Å; A330-A336 HydrophobicContact CB-CB 3.77Å; A330-C381 HydrophobicContact CB-CB 3.8Å; A330-N383 PolarHBondContact O-ND2 2.82Å
331	S	89.3	Confident	93	Very high	61 Å²	61	20.9 Å²	20.9	43%	0.427	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.8	175.9	77.8	0	0	0	0	114.5	A327 E328 N329	A327-S331 WeakPolarHBondContact O-CB 3.39Å; A327-S331 PolarHBondContact O-N 3.28Å; E328-S331 PolarHBondContact O-N 3.26Å; E328-S331 PolarHBondContact O-OG 3.31Å; N329-S331 VanDerWaalsContact C-N 3.26Å; N329-S331 PolarHBondContact O-N 2.02Å
332	S	88.6	Confident	92.9	Very high	70 Å²	70	18.9 Å²	18.9	49%	0.49	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-3.9	-175.2	72.3	0	0	0	0	115	N329 A330	N329-S332 PolarHBondContact O-N 3.44Å; N329-S332 VanDerWaalsContact O-N 3.15Å; N329-S332 PolarHBondContact O-OG 3.48Å; A330-S332 PolarHBondContact O-N 3.17Å; A330-S332 VanDerWaalsContact O-N 3.15Å
333	V	91.9	Very high	92.2	Very high	12 Å²	12	20.8 Å²	20.8	7%	0.073	12%	0.116	C	C	.	.	S	Bend	trans	-126.2	167	-174.4	-69.6	0	0	0	0	111.5	L231 A330 L335 A336 N383	L231-V333 HydrophobicContact CB-CB 4.48Å; L231-V333 HydrophobicContact CB-CG1 4.19Å; L231-V333 HydrophobicContact CB-CG2 3.84Å; A330-V333 WeakPolarHBondContact O-CG2 3.36Å; A330-V333 PolarHBondContact O-N 2.99Å; V333-L335 WeakPolarHBondContact CG2-O 3.33Å; V333-A336 HydrophobicContact CG2-CB 4.4Å; V333-N383 PolarHBondContact O-ND2 3.2Å
334	C	94.8	Very high	91.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	-71.1	-44.2	176.4	169.8	0	0	0	0	111.6	C228 P229 L365 C366 N383 C471	C228-C334 VanDerWaalsContact CA-SG 3.58Å; C228-C334 HydrophobicContact CB-CB 3.93Å; C228-C334 WeakPolarHBondContact CB-SG 3.03Å; C228-C334 WeakPolarHBondContact SG-CB 3.29Å; C228-C334 CovalentContact SG-SG 2.04Å; C228-C334 PolarHBondContact SG-SG 3.25Å; P229-C334 HydrophobicContact CG-CB 3.99Å; P229-C334 VanDerWaalsContact O-CB 3.26Å; P229-C334 WeakPolarHBondContact O-CB 3.01Å; P229-C334 PolarHBondContact O-N 2.9Å; C334-L365 VanDerWaalsContact SG-CD2 3.51Å; C334-C366 PolarHBondContact O-N 3.08Å; C334-N383 PolarHBondContact O-ND2 3.45Å; C334-C471 VanDerWaalsContact CA-SG 3.56Å; C334-C471 WeakPolarHBondContact CB-SG 3.27Å; C334-C471 PolarHBondContact SG-SG 2.03Å
335	L	96.5	Very high	90.9	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	154.3	175.7	-66.1	177.6	0	0	0	111.2	M230 L231 V333 L365 N383 L409 N412 F413	M230-L335 WeakPolarHBondContact CA-O 3.39Å; M230-L335 HydrophobicContact CG-CB 4.45Å; L231-L335 PolarHBondContact N-O 2.87Å; V333-L335 WeakPolarHBondContact CG2-O 3.33Å; L335-L365 HydrophobicContact CD1-CD2 3.99Å; L335-L365 HydrophobicContact CD2-CD2 4.21Å; L335-L365 HydrophobicContact CG-CD2 4.04Å; L335-N383 CarbonylContact C-O 3.45Å; L335-N383 WeakPolarHBondContact CA-O 3.02Å; L335-N383 HydrophobicContact CD2-CB 4.18Å; L335-L409 HydrophobicContact CD1-CD2 3.99Å; L335-N412 HydrophobicContact CD1-CB 3.83Å; L335-N412 HydrophobicContact CD2-CB 3.78Å; L335-N412 WeakPolarHBondContact CD2-OD1 3.46Å; L335-N412 HydrophobicContact CG-CB 4.48Å; L335-F413 HydrophobicContact CD1-CD2 4.08Å; L335-F413 HydrophobicContact CD1-CE2 3.83Å
336	A	97.1	Very high	89.6	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	126	172.2	0	0	0	0	0	111.3	L231 A330 V333 N383 T384 G385	L231-A336 HydrophobicContact CB-CB 4.02Å; L231-A336 HydrophobicContact CD2-CB 3.93Å; L231-A336 HydrophobicContact CG-CB 4.28Å; L231-A336 CarbonylContact O-C 3.56Å; L231-A336 WeakPolarHBondContact O-CA 3.49Å; A330-A336 HydrophobicContact CB-CB 3.77Å; V333-A336 HydrophobicContact CG2-CB 4.4Å; A336-N383 PolarHBondContact N-O 2.6Å; A336-T384 HydrophobicContact CB-CG2 4.07Å; A336-T384 VanDerWaalsContact O-CA 3.27Å; A336-T384 WeakPolarHBondContact O-CA 3.41Å; A336-G385 PolarHBondContact O-N 3.06Å
337	H	98.3	Very high	88.2	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	131.1	-172.7	-152.5	83.6	0	0	0	112.7	M230 L231 V233 F339 G385 T387	M230-H337 HydrophobicContact CE-CB 3.97Å; L231-H337 PolarHBondContact O-N 3.39Å; V233-H337 PolarHBondContact N-O 2.88Å; H337-F339 HydrophobicContact CB-CE2 4.23Å; H337-F339 AromaticContact CD2-CE1 3.78Å; H337-F339 AromaticContact CD2-CE2 3.71Å; H337-F339 AromaticContact CD2-CZ 3.45Å; H337-F339 VanDerWaalsContact CD2-CZ 3.45Å; H337-F339 WeakPolarHBondContact CD2-CZ 3.41Å; H337-G385 WeakPolarHBondContact CA-O 3.41Å; H337-T387 PolarHBondContact NE2-N 2.8Å; H337-T387 PolarHBondContact NE2-OG1 2.69Å
338	L	98.4	Very high	87.4	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	130.2	176.8	175.6	64.5	0	0	0	111.3	V233 D235 F300 L318 F322 G385 L386 T387	V233-L338 HydrophobicContact CB-CD1 4.3Å; V233-L338 HydrophobicContact CG1-CD1 4.18Å; V233-L338 CarbonylContact O-C 3.49Å; V233-L338 WeakPolarHBondContact O-CA 3.47Å; D235-L338 HydrophobicContact CB-CD1 4.35Å; F300-L338 HydrophobicContact CD2-CD1 3.79Å; F300-L338 HydrophobicContact CD2-CD2 3.96Å; F300-L338 HydrophobicContact CE2-CD1 3.68Å; L318-L338 HydrophobicContact CD1-CD2 4.31Å; L318-L338 HydrophobicContact CD2-CD2 4.22Å; L318-L338 HydrophobicContact CG-CD2 4.1Å; F322-L338 HydrophobicContact CB-CD2 4.13Å; F322-L338 HydrophobicContact CD1-CB 3.86Å; F322-L338 HydrophobicContact CD1-CD2 4.49Å; F322-L338 HydrophobicContact CD2-CB 4.07Å; F322-L338 HydrophobicContact CD2-CD1 4.33Å; F322-L338 HydrophobicContact CD2-CD2 4.11Å; F322-L338 HydrophobicContact CD2-CG 4.41Å; F322-L338 HydrophobicContact CE1-CB 3.68Å; F322-L338 HydrophobicContact CE2-CB 3.9Å; F322-L338 HydrophobicContact CE2-CD1 4.27Å; F322-L338 HydrophobicContact CG-CB 4.05Å; F322-L338 HydrophobicContact CG-CD2 4Å; F322-L338 HydrophobicContact CZ-CB 3.71Å; L338-G385 PolarHBondContact N-O 3.14Å; L338-L386 HydrophobicContact CB-CB 3.79Å; L338-L386 HydrophobicContact CD2-CB 4.27Å; L338-L386 HydrophobicContact CG-CB 4.27Å; L338-L386 CarbonylContact O-C 3.57Å; L338-L386 WeakPolarHBondContact O-CA 3.47Å; L338-T387 PolarHBondContact O-N 2.76Å
339	F	98.1	Very high	86.9	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.4	170.3	-64.4	-82.4	0	0	0	109.7	L232 V233 D235 F238 L254 L257 I258 H337 T387 T405	L232-F339 HydrophobicContact CB-CE2 4.22Å; L232-F339 HydrophobicContact CD2-CE2 4.16Å; V233-F339 PolarHBondContact O-N 3.43Å; D235-F339 PolarHBondContact N-O 3.48Å; D235-F339 VanDerWaalsContact N-O 3.15Å; F238-F339 WeakPolarHBondContact CB-O 3.42Å; F238-F339 HydrophobicContact CD1-CB 4.48Å; F238-F339 HydrophobicContact CD2-CB 3.82Å; F238-F339 HydrophobicContact CE1-CB 4.45Å; F238-F339 HydrophobicContact CE2-CB 3.78Å; F238-F339 HydrophobicContact CG-CB 4.16Å; F238-F339 HydrophobicContact CZ-CB 4.1Å; L254-F339 HydrophobicContact CD2-CB 3.95Å; L254-F339 HydrophobicContact CD2-CD1 4.17Å; L254-F339 HydrophobicContact CD2-CD2 3.39Å; L254-F339 HydrophobicContact CD2-CE2 3.87Å; L254-F339 HydrophobicContact CD2-CG 3.54Å; L254-F339 HydrophobicContact CD2-CZ 4.43Å; L257-F339 HydrophobicContact CD2-CD1 4.12Å; L257-F339 HydrophobicContact CD2-CE1 3.47Å; L257-F339 VanDerWaalsContact CD2-CE1 3.47Å; L257-F339 HydrophobicContact CD2-CZ 4Å; I258-F339 HydrophobicContact CD1-CZ 4.33Å; H337-F339 HydrophobicContact CB-CE2 4.23Å; H337-F339 AromaticContact CD2-CE1 3.78Å; H337-F339 AromaticContact CD2-CE2 3.71Å; H337-F339 AromaticContact CD2-CZ 3.45Å; H337-F339 VanDerWaalsContact CD2-CZ 3.45Å; H337-F339 WeakPolarHBondContact CD2-CZ 3.41Å; F339-T387 WeakPolarHBondContact CA-O 3.36Å; F339-T405 HydrophobicContact CE1-CG2 4.18Å; F339-T405 HydrophobicContact CZ-CG2 4.12Å
340	T	96.2	Very high	86.7	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	166	-177	-171.3	0	0	0	0	111.2	D235 Q342 F344 T387 S388 T389	D235-T340 VanDerWaalsContact OD2-CB 3.32Å; D235-T340 WeakPolarHBondContact OD2-CB 3.37Å; D235-T340 PolarHBondContact OD2-OG1 3.46Å; T340-Q342 HydrophobicContact CG2-CB 4.22Å; T340-Q342 WeakPolarHBondContact OG1-CG 3.24Å; T340-Q342 PolarHBondContact OG1-NE2 3.25Å; T340-F344 HydrophobicContact CG2-CE2 4.11Å; T340-F344 HydrophobicContact CG2-CZ 3.85Å; T340-T387 PolarHBondContact N-O 3.03Å; T340-T387 VanDerWaalsContact N-O 3.08Å; T340-S388 WeakPolarHBondContact O-CA 3.45Å; T340-S388 PolarHBondContact O-OG 3.48Å; T340-T389 PolarHBondContact O-N 3.24Å; T340-T389 VanDerWaalsContact O-N 3.11Å; T340-T389 PolarHBondContact O-OG1 3.09Å; T340-T389 VanDerWaalsContact O-OG1 3.12Å
341	Y	91.7	Very high	86.5	Confident	34 Å²	34	23.2 Å²	23.2	13%	0.133	13%	0.13	C	C	.	.			trans	-121.5	70.8	171.5	-167.4	-96.6	0	0	0	108.8	Y241 M242 K390 T395	Y241-Y341 VanDerWaalsContact CB-CD1 3.4Å; Y241-Y341 HydrophobicContact CD1-CD1 4.36Å; Y241-Y341 HydrophobicContact CD1-CE1 4.13Å; Y241-Y341 AromaticContact CD2-CD1 3.29Å; Y241-Y341 HydrophobicContact CD2-CD1 3.29Å; Y241-Y341 AromaticContact CD2-CE1 3.87Å; Y241-Y341 HydrophobicContact CD2-CE1 3.87Å; Y241-Y341 HydrophobicContact CD2-CG 4.04Å; Y241-Y341 HydrophobicContact CE2-CD1 4.12Å; Y241-Y341 AromaticContact CG-CD1 3.44Å; Y241-Y341 HydrophobicContact CG-CD1 3.44Å; Y241-Y341 VanDerWaalsContact CG-CD1 3.44Å; Y241-Y341 AromaticContact CG-CE1 3.6Å; Y241-Y341 HydrophobicContact CG-CE1 3.6Å; Y241-Y341 HydrophobicContact CG-CG 4.15Å; M242-Y341 HydrophobicContact CG-CD2 3.81Å; M242-Y341 HydrophobicContact CG-CE2 4.37Å; M242-Y341 HydrophobicContact SD-CD2 3.89Å; M242-Y341 HydrophobicContact SD-CE2 3.87Å; Y341-K390 HydrophobicContact CD1-CB 4.34Å; Y341-K390 HydrophobicContact CD1-CD 4.03Å; Y341-K390 HydrophobicContact CD2-CB 3.93Å; Y341-K390 HydrophobicContact CE1-CB 4.32Å; Y341-K390 HydrophobicContact CE1-CD 3.69Å; Y341-K390 HydrophobicContact CE1-CG 4.08Å; Y341-K390 HydrophobicContact CE2-CB 3.88Å; Y341-K390 HydrophobicContact CE2-CG 4.19Å; Y341-K390 HydrophobicContact CG-CB 4.18Å; Y341-T395 HydrophobicContact CE2-CG2 4.28Å; Y341-T395 PolarHBondContact OH-OG1 3.43Å
342	Q	89.5	Confident	86.6	Confident	1 Å²	1	20.3 Å²	20.3	1%	0.005	11%	0.11	C	C	.	.			trans	-124.5	140.7	-177.5	-77.1	-175	86.2	0	0	111.6	R237 T340 F344 S388	R237-Q342 VanDerWaalsContact CD-CG 3.42Å; T340-Q342 HydrophobicContact CG2-CB 4.22Å; T340-Q342 WeakPolarHBondContact OG1-CG 3.24Å; T340-Q342 PolarHBondContact OG1-NE2 3.25Å; Q342-F344 HydrophobicContact CB-CD1 4.19Å; Q342-F344 HydrophobicContact CB-CE1 3.73Å; Q342-F344 HydrophobicContact CB-CE2 4.48Å; Q342-F344 HydrophobicContact CB-CZ 3.89Å; Q342-F344 PolarHBondContact O-N 3.44Å; Q342-S388 PolarHBondContact N-OG 2.95Å; Q342-S388 WeakPolarHBondContact O-CB 3.46Å; Q342-S388 PolarHBondContact O-OG 3.43Å
343	D	81.3	Confident	86.6	Confident	40 Å²	40	17.1 Å²	17.1	21%	0.214	9%	0.087	C	C	.	.			trans	-96.1	74.5	-175.2	-142.7	-10	0	0	0	108.2	V312 K390 N391 Y392 G393	V312-D343 WeakPolarHBondContact CG1-O 3.32Å; D343-K390 HydrophobicContact CB-CD 3.89Å; D343-K390 WeakPolarHBondContact OD2-CE 3.22Å; D343-K390 IonicContact OD2-NZ 2.6Å; D343-K390 PolarHBondContact OD2-NZ 3.38Å; D343-N391 WeakPolarHBondContact OD1-CA 3.47Å; D343-Y392 PolarHBondContact OD1-N 3.12Å; D343-G393 PolarHBondContact OD1-N 3.29Å; D343-G393 WeakPolarHBondContact OD2-CA 3.43Å; D343-G393 PolarHBondContact OD2-N 3.45Å
344	F	81.3	Confident	86.3	Confident	7 Å²	7	16.8 Å²	16.8	3%	0.031	9%	0.085	C	C	.	.			trans	-64.4	151.7	-171.8	-61.7	-55.6	0	0	0	111.9	V312 W313 V315 L318 T340 Q342 G347 T348 L386	V312-F344 HydrophobicContact CG1-CD1 4.07Å; W313-F344 HydrophobicContact CB-CE1 4.42Å; V315-F344 HydrophobicContact CB-CD1 4Å; V315-F344 HydrophobicContact CB-CD2 4.32Å; V315-F344 HydrophobicContact CB-CE1 4.26Å; V315-F344 HydrophobicContact CB-CG 4.05Å; V315-F344 HydrophobicContact CG2-CD1 4.34Å; V315-F344 HydrophobicContact CG2-CD2 3.88Å; V315-F344 HydrophobicContact CG2-CE1 4.34Å; V315-F344 HydrophobicContact CG2-CE2 3.86Å; V315-F344 HydrophobicContact CG2-CG 4.13Å; V315-F344 HydrophobicContact CG2-CZ 4.1Å; L318-F344 HydrophobicContact CD2-CE1 3.96Å; L318-F344 HydrophobicContact CD2-CZ 3.66Å; T340-F344 HydrophobicContact CG2-CE2 4.11Å; T340-F344 HydrophobicContact CG2-CZ 3.85Å; Q342-F344 HydrophobicContact CB-CD1 4.19Å; Q342-F344 HydrophobicContact CB-CE1 3.73Å; Q342-F344 HydrophobicContact CB-CE2 4.48Å; Q342-F344 HydrophobicContact CB-CZ 3.89Å; Q342-F344 PolarHBondContact O-N 3.44Å; F344-G347 PolarHBondContact O-N 2.96Å; F344-T348 WeakPolarHBondContact CD2-O 3.48Å; F344-L386 HydrophobicContact CE2-CD1 3.65Å; F344-L386 HydrophobicContact CZ-CD1 3.92Å
345	D	73.4	Confident	85.6	Confident	87 Å²	87	16.8 Å²	16.8	47%	0.465	9%	0.085	S	C	.	.	G	3₁₀ helix	trans	-58	152.7	179.7	-53.8	-60.6	0	0	0	111.2	K310 G347 T348	K310-D345 IonicContact NZ-OD1 3.12Å; K310-D345 IonicContact NZ-OD2 3.61Å; K310-D345 PolarHBondContact NZ-OD2 2.86Å; D345-G347 PolarHBondContact O-N 3.46Å; D345-T348 PolarHBondContact O-N 3.39Å; D345-T348 PolarHBondContact O-OG1 2.84Å; D345-T348 VanDerWaalsContact O-OG1 3.05Å
346	E	64.1	Low	84.5	Confident	130 Å²	130	16.9 Å²	16.9	61%	0.607	9%	0.086	S	C	*	.	G	3₁₀ helix	trans	60.8	4.2	179.8	-48.1	-168.7	146.9	0	0	116.7	S184 Y392	S184-E346 WeakPolarHBondContact CB-OE2 3.2Å; S184-E346 PolarHBondContact N-O 2.94Å; S184-E346 WeakPolarHBondContact OG-CB 3.4Å; S184-E346 PolarHBondContact OG-OE2 2.94Å; E346-Y392 PolarHBondContact O-OH 2.98Å; E346-Y392 VanDerWaalsContact O-OH 3.06Å
347	G	64	Low	82.9	Confident	6 Å²	6	20.6 Å²	20.6	6%	0.062	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	87.6	21.2	-178.3	0	0	0	0	0	114.1	F344 D345 L349 N391	F344-G347 PolarHBondContact O-N 2.96Å; D345-G347 PolarHBondContact O-N 3.46Å; G347-L349 PolarHBondContact O-N 3.15Å; G347-N391 VanDerWaalsContact CA-OD1 3.3Å; G347-N391 WeakPolarHBondContact CA-OD1 3.26Å; G347-N391 PolarHBondContact O-ND2 3.12Å
348	T	71.6	Confident	81.4	Confident	19 Å²	19	26 Å²	26	12%	0.117	13%	0.129	C	C	.	.			trans	-62.7	128.3	177.8	-53.7	0	0	0	0	110.8	V315 F344 D345 G350	V315-T348 HydrophobicContact CG1-CG2 4.2Å; V315-T348 HydrophobicContact CG2-CG2 4.15Å; F344-T348 WeakPolarHBondContact CD2-O 3.48Å; D345-T348 PolarHBondContact O-N 3.39Å; D345-T348 PolarHBondContact O-OG1 2.84Å; D345-T348 VanDerWaalsContact O-OG1 3.05Å; T348-G350 WeakPolarHBondContact CG2-O 3.24Å
349	L	79.3	Confident	79.4	Confident	12 Å²	12	29.8 Å²	29.8	6%	0.063	15%	0.154	C	C	.	.			trans	-104.2	-16.8	-176.8	-81.5	167.5	0	0	0	114.2	G347 S388 N391 I396 V404 A441	G347-L349 PolarHBondContact O-N 3.15Å; L349-S388 PolarHBondContact O-N 3.23Å; L349-N391 HydrophobicContact CD2-CB 3.81Å; L349-I396 HydrophobicContact CD2-CD1 4.21Å; L349-I396 HydrophobicContact CD2-CG2 3.93Å; L349-V404 HydrophobicContact CB-CG1 3.85Å; L349-V404 HydrophobicContact CB-CG2 3.81Å; L349-V404 HydrophobicContact CD1-CG2 3.78Å; L349-V404 HydrophobicContact CG-CG2 4.29Å; L349-A441 HydrophobicContact CD1-CB 4.13Å
350	G	85.7	Confident	77.7	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	176.2	179.8	0	0	0	0	0	112.5	T348 L386 E408	T348-G350 WeakPolarHBondContact CG2-O 3.24Å; G350-L386 CarbonylContact C-O 3.52Å; G350-L386 WeakPolarHBondContact CA-O 3.31Å; G350-E408 WeakPolarHBondContact CA-OE1 3.47Å
351	L	86.4	Confident	76.3	Confident	7 Å²	7	39.8 Å²	39.8	4%	0.037	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	141.8	167.3	-173.5	65.8	0	0	0	110.9	G187 V189 V315 K316 L319 G385 L386 E408	G187-L351 VanDerWaalsContact O-CD1 3.23Å; G187-L351 WeakPolarHBondContact O-CD1 3.04Å; V189-L351 HydrophobicContact CG2-CD1 4.41Å; V189-L351 HydrophobicContact CG2-CD2 4.39Å; V189-L351 HydrophobicContact CG2-CG 4.5Å; V315-L351 HydrophobicContact CG1-CD2 4.43Å; V315-L351 HydrophobicContact CG2-CB 3.88Å; V315-L351 HydrophobicContact CG2-CD2 4.39Å; K316-L351 VanDerWaalsContact CA-CD2 3.49Å; K316-L351 HydrophobicContact CB-CD2 3.99Å; K316-L351 HydrophobicContact CG-CD2 4.46Å; L319-L351 HydrophobicContact CB-CD2 4.03Å; L319-L351 HydrophobicContact CD2-CB 4.19Å; L319-L351 HydrophobicContact CD2-CD2 3.79Å; L319-L351 HydrophobicContact CD2-CG 3.64Å; L351-G385 CarbonylContact O-C 3.46Å; L351-G385 VanDerWaalsContact O-CA 3.31Å; L351-G385 WeakPolarHBondContact O-CA 3.48Å; L351-L386 HydrophobicContact CB-CG 4.42Å; L351-L386 PolarHBondContact N-O 3.02Å; L351-L386 PolarHBondContact O-N 3.36Å; L351-E408 WeakPolarHBondContact CA-OE2 3.33Å; L351-E408 PolarHBondContact N-OE2 2.68Å
352	A	90.3	Very high	75.5	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	154.7	-178.7	0	0	0	0	0	114.4	V189 E408 H411 N412	V189-A352 PolarHBondContact N-O 3.14Å; A352-E408 HydrophobicContact CB-CB 4.29Å; A352-E408 VanDerWaalsContact CB-O 3.27Å; A352-E408 WeakPolarHBondContact CB-O 3.05Å; A352-E408 WeakPolarHBondContact CB-OE2 3.39Å; A352-E408 PolarHBondContact N-OE2 2.86Å; A352-E408 VanDerWaalsContact N-OE2 3.14Å; A352-H411 HydrophobicContact CB-CB 3.57Å; A352-N412 VanDerWaalsContact CB-ND2 3.33Å; A352-N412 WeakPolarHBondContact CB-ND2 3.04Å
353	Y	87.8	Confident	75.1	Confident	2 Å²	2	39 Å²	39	1%	0.008	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	125.5	164.4	-71.8	-77.3	0	0	0	110.7	V189 L319 E320 S323 L382 T384	V189-Y353 HydrophobicContact CB-CD1 3.66Å; V189-Y353 HydrophobicContact CB-CE1 3.86Å; V189-Y353 HydrophobicContact CB-CG 4.49Å; V189-Y353 HydrophobicContact CG1-CD1 3.72Å; V189-Y353 HydrophobicContact CG1-CE1 3.6Å; V189-Y353 HydrophobicContact CG2-CD1 4.43Å; V189-Y353 HydrophobicContact CG2-CE1 4.28Å; L319-Y353 HydrophobicContact CD1-CD2 4.28Å; L319-Y353 HydrophobicContact CD1-CE2 4.07Å; L319-Y353 HydrophobicContact CD2-CD2 3.87Å; L319-Y353 HydrophobicContact CD2-CE2 3.72Å; L319-Y353 HydrophobicContact CG-CD2 4.09Å; L319-Y353 HydrophobicContact CG-CE2 3.58Å; E320-Y353 WeakPolarHBondContact CG-OH 3.46Å; S323-Y353 WeakPolarHBondContact OG-CE2 3.4Å; Y353-L382 WeakPolarHBondContact CB-O 2.94Å; Y353-L382 HydrophobicContact CD1-CB 4.37Å; Y353-L382 HydrophobicContact CD1-CD1 4.39Å; Y353-L382 HydrophobicContact CD1-CD2 4.38Å; Y353-L382 HydrophobicContact CD2-CB 4.26Å; Y353-L382 HydrophobicContact CD2-CD2 4.35Å; Y353-L382 HydrophobicContact CE1-CD1 4.41Å; Y353-L382 HydrophobicContact CE1-CD2 3.97Å; Y353-L382 HydrophobicContact CE2-CD2 3.91Å; Y353-L382 HydrophobicContact CG-CB 4.11Å; Y353-T384 VanDerWaalsContact CD2-OG1 3.28Å; Y353-T384 WeakPolarHBondContact CD2-OG1 3.48Å; Y353-T384 PolarHBondContact N-O 2.92Å
354	V	86.4	Confident	75.3	Confident	5 Å²	5	37.1 Å²	37.1	3%	0.03	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	133.2	179.3	175	0	0	0	0	111.1	Y188 V189 P356 H411 E416	Y188-V354 HydrophobicContact CD2-CB 4.35Å; Y188-V354 HydrophobicContact CD2-CG2 3.43Å; Y188-V354 VanDerWaalsContact CD2-CG2 3.43Å; Y188-V354 HydrophobicContact CE2-CG2 4.2Å; Y188-V354 HydrophobicContact CG-CG2 4.06Å; V189-V354 PolarHBondContact O-N 3.04Å; V189-V354 VanDerWaalsContact O-N 3.12Å; V354-P356 VanDerWaalsContact O-CD 3.29Å; V354-P356 WeakPolarHBondContact O-CD 3.32Å; V354-H411 WeakPolarHBondContact CA-O 3.41Å; V354-H411 HydrophobicContact CG2-CB 3.79Å; V354-E416 HydrophobicContact CG1-CG 4.39Å
355	A	79.4	Confident	75.7	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-65.4	118.1	172.4	0	0	0	0	0	111.1	G363 H411 N412 R463	A355-G363 WeakPolarHBondContact CA-O 3.41Å; A355-H411 PolarHBondContact N-O 2.9Å; A355-N412 WeakPolarHBondContact CB-O 3.49Å; A355-R463 HydrophobicContact CB-CB 4.47Å; A355-R463 HydrophobicContact CB-CG 3.95Å; A355-R463 PolarHBondContact O-NE 2.85Å; A355-R463 PolarHBondContact O-NH2 3.34Å
356	P	74.9	Confident	76.5	Confident	4 Å²	4	33.4 Å²	33.4	3%	0.026	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-75.3	167.4	-176.7	29.6	-35	0	0	0	113.2	E192 V354 K358 F361 G363 R463	E192-P356 HydrophobicContact CG-CB 4.22Å; V354-P356 VanDerWaalsContact O-CD 3.29Å; V354-P356 WeakPolarHBondContact O-CD 3.32Å; P356-K358 VanDerWaalsContact C-N 3.31Å; P356-K358 PolarHBondContact O-N 3.03Å; P356-F361 HydrophobicContact CB-CB 3.98Å; P356-F361 HydrophobicContact CG-CB 3.47Å; P356-F361 VanDerWaalsContact CG-CB 3.47Å; P356-F361 VanDerWaalsContact CG-O 3.23Å; P356-F361 WeakPolarHBondContact CG-O 3.01Å; P356-G363 WeakPolarHBondContact CD-O 3.04Å; P356-R463 WeakPolarHBondContact O-CD 3.28Å; P356-R463 PolarHBondContact O-NE 2.88Å
357	N	64	Low	77.5	Confident	77 Å²	77	27.5 Å²	27.5	41%	0.412	15%	0.148	S	C	.	.	S	Bend	trans	-68	-28	179.1	-67.8	-81.6	0	0	0	113.6	E192 R463	E192-N357 WeakPolarHBondContact OE1-CB 3.47Å; E192-N357 PolarHBondContact OE1-N 3.32Å; E192-N357 PolarHBondContact OE1-ND2 3.14Å; N357-R463 PolarHBondContact ND2-NH2 3.03Å; N357-R463 PolarHBondContact OD1-NH1 2.85Å; N357-R463 PolarHBondContact OD1-NH2 3.31Å
358	K	65.3	Low	78.4	Confident	114 Å²	114	34.4 Å²	34.4	50%	0.496	18%	0.176	S	C	.	.	S	Bend	trans	-91.6	135.4	-173.7	-63.6	177.2	-179.5	178.6	0	111	P356 D360 F361	P356-K358 VanDerWaalsContact C-N 3.31Å; P356-K358 PolarHBondContact O-N 3.03Å; K358-D360 VanDerWaalsContact C-N 3.34Å; K358-D360 PolarHBondContact O-N 3.33Å; K358-F361 HydrophobicContact CB-CB 4.13Å; K358-F361 HydrophobicContact CB-CD2 3.57Å; K358-F361 HydrophobicContact CB-CE2 4.32Å; K358-F361 HydrophobicContact CB-CG 4.04Å; K358-F361 HydrophobicContact CD-CD2 3.58Å; K358-F361 HydrophobicContact CD-CE2 3.48Å; K358-F361 VanDerWaalsContact CD-CE2 3.48Å; K358-F361 HydrophobicContact CD-CG 4.26Å; K358-F361 HydrophobicContact CD-CZ 4.07Å; K358-F361 HydrophobicContact CG-CD2 4.21Å; K358-F361 PolarHBondContact O-N 2.91Å
359	P	57.7	Low	79	Confident	80 Å²	80	36.6 Å²	36.6	52%	0.519	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-34.6	-173.5	24.9	-33.3	0	0	0	113.5
360	D	61.3	Low	79	Confident	133 Å²	133	37.1 Å²	37.1	71%	0.711	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-1.3	-178.6	-54.3	-70.3	0	0	0	113.7	K358	K358-D360 VanDerWaalsContact C-N 3.34Å; K358-D360 PolarHBondContact O-N 3.33Å
361	F	67.3	Low	78.4	Confident	78 Å²	78	42.1 Å²	42.1	34%	0.342	23%	0.225	S	C	.	.	S	Bend	trans	-86.7	131.9	174.3	-83.4	-116.9	0	0	0	110.6	P356 K358 K467	P356-F361 HydrophobicContact CB-CB 3.98Å; P356-F361 HydrophobicContact CG-CB 3.47Å; P356-F361 VanDerWaalsContact CG-CB 3.47Å; P356-F361 VanDerWaalsContact CG-O 3.23Å; P356-F361 WeakPolarHBondContact CG-O 3.01Å; K358-F361 HydrophobicContact CB-CB 4.13Å; K358-F361 HydrophobicContact CB-CD2 3.57Å; K358-F361 HydrophobicContact CB-CE2 4.32Å; K358-F361 HydrophobicContact CB-CG 4.04Å; K358-F361 HydrophobicContact CD-CD2 3.58Å; K358-F361 HydrophobicContact CD-CE2 3.48Å; K358-F361 VanDerWaalsContact CD-CE2 3.48Å; K358-F361 HydrophobicContact CD-CG 4.26Å; K358-F361 HydrophobicContact CD-CZ 4.07Å; K358-F361 HydrophobicContact CG-CD2 4.21Å; K358-F361 PolarHBondContact O-N 2.91Å; F361-K467 PolarHBondContact O-NZ 3.44Å
362	P	73.9	Confident	77.4	Confident	17 Å²	17	42 Å²	42	11%	0.11	23%	0.225	C	C	.	.			trans	-76.8	157.4	-178.7	34.7	-37.8	0	0	0	111.7	S191 S367 C370 L382	S191-P362 VanDerWaalsContact CB-O 3.24Å; S191-P362 WeakPolarHBondContact CB-O 3.45Å; S191-P362 PolarHBondContact OG-O 3.24Å; P362-S367 WeakPolarHBondContact CA-OG 3.21Å; P362-S367 WeakPolarHBondContact CB-OG 3.49Å; P362-C370 WeakPolarHBondContact CB-SG 3.36Å; P362-C370 VanDerWaalsContact CG-SG 3.56Å; P362-L382 HydrophobicContact CB-CD1 4.01Å; P362-L382 HydrophobicContact CB-CG 4.45Å; P362-L382 HydrophobicContact CG-CD1 4.07Å
363	G	81.1	Confident	75.7	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.01	26%	0.26	C	S	.	.	S	Bend	trans	126.6	138.2	-174.7	0	0	0	0	0	112.2	A355 P356 S367 L382 K467	A355-G363 WeakPolarHBondContact CA-O 3.41Å; P356-G363 WeakPolarHBondContact CD-O 3.04Å; G363-S367 PolarHBondContact N-OG 2.82Å; G363-L382 CarbonylContact C-O 3.53Å; G363-L382 WeakPolarHBondContact CA-O 3.41Å; G363-K467 PolarHBondContact O-NZ 3.46Å
364	G	87	Confident	74.2	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.292	C	S	.	.	S	Bend	trans	57.1	-148.5	175.5	0	0	0	0	0	114.5	C366 S367 L382 N383 N412	G364-C366 PolarHBondContact O-N 3.46Å; G364-S367 WeakPolarHBondContact O-CB 3.49Å; G364-S367 PolarHBondContact O-N 2.98Å; G364-S367 VanDerWaalsContact O-N 3.12Å; G364-L382 PolarHBondContact N-O 3.42Å; G364-N383 VanDerWaalsContact O-CA 3.27Å; G364-N383 WeakPolarHBondContact O-CA 3.43Å; G364-N383 WeakPolarHBondContact O-CB 3.47Å; G364-N412 CarbonylContact C-O 3.54Å; G364-N412 VanDerWaalsContact CA-O 3.26Å; G364-N412 WeakPolarHBondContact CA-O 3.49Å
365	L	89.4	Confident	72.9	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-38.5	129.1	-177.1	-75.9	176.2	0	0	0	113.8	C334 L335 S367 N412 F413 L464 K467 F472	C334-L365 VanDerWaalsContact SG-CD2 3.51Å; L335-L365 HydrophobicContact CD1-CD2 3.99Å; L335-L365 HydrophobicContact CD2-CD2 4.21Å; L335-L365 HydrophobicContact CG-CD2 4.04Å; L365-S367 PolarHBondContact O-N 3.17Å; L365-N412 PolarHBondContact N-O 3.26Å; L365-F413 HydrophobicContact CD1-CB 4.21Å; L365-F413 HydrophobicContact CD1-CD1 3.87Å; L365-F413 HydrophobicContact CD1-CD2 4.26Å; L365-F413 HydrophobicContact CD1-CE1 4.33Å; L365-F413 HydrophobicContact CD1-CG 3.83Å; L365-F413 HydrophobicContact CD2-CD2 3.81Å; L365-F413 HydrophobicContact CD2-CE1 4.45Å; L365-F413 HydrophobicContact CD2-CE2 3.73Å; L365-F413 HydrophobicContact CD2-CG 4.24Å; L365-F413 HydrophobicContact CD2-CZ 4.07Å; L365-F413 HydrophobicContact CG-CD2 4.1Å; L365-F413 HydrophobicContact CG-CE2 4.5Å; L365-F413 HydrophobicContact CG-CG 4.15Å; L365-L464 HydrophobicContact CD1-CD2 4.1Å; L365-K467 WeakPolarHBondContact O-CD 3.3Å; L365-F472 HydrophobicContact CD1-CE2 4.27Å; L365-F472 HydrophobicContact CD1-CZ 4.13Å; L365-F472 HydrophobicContact CD2-CE2 3.85Å; L365-F472 HydrophobicContact CD2-CZ 3.85Å
366	C	88.9	Confident	71.7	Confident	17 Å²	17	61.1 Å²	61.1	12%	0.115	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	25.6	174.5	-44.4	0	0	0	0	114.8	C334 G364 K368 K467 S470 C471	C334-C366 PolarHBondContact O-N 3.08Å; G364-C366 PolarHBondContact O-N 3.46Å; C366-K368 PolarHBondContact O-N 2.89Å; C366-K467 HydrophobicContact CB-CB 4.38Å; C366-K467 PolarHBondContact SG-O 2.57Å; C366-S470 VanDerWaalsContact CB-OG 3.23Å; C366-S470 WeakPolarHBondContact CB-OG 3.38Å; C366-S470 PolarHBondContact SG-OG 3.32Å; C366-C471 WeakPolarHBondContact CA-SG 3.19Å; C366-C471 HydrophobicContact CB-CB 3.72Å; C366-C471 WeakPolarHBondContact CB-SG 3.48Å; C366-C471 WeakPolarHBondContact SG-CB 3.42Å; C366-C471 CovalentContact SG-SG 2.03Å; C366-C471 PolarHBondContact SG-SG 2.81Å
367	S	86.8	Confident	70.8	Confident	6 Å²	6	65.4 Å²	65.4	4%	0.042	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-61	122.9	178.1	-169.6	0	0	0	0	111	P362 G363 G364 L365	P362-S367 WeakPolarHBondContact CA-OG 3.21Å; P362-S367 WeakPolarHBondContact CB-OG 3.49Å; G363-S367 PolarHBondContact N-OG 2.82Å; G364-S367 WeakPolarHBondContact O-CB 3.49Å; G364-S367 PolarHBondContact O-N 2.98Å; G364-S367 VanDerWaalsContact O-N 3.12Å; L365-S367 PolarHBondContact O-N 3.17Å
368	K	82.4	Confident	71	Confident	150 Å²	150	63.3 Å²	63.3	65%	0.652	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-65.9	155.2	172.7	-63.5	172.6	-173.1	163.5	0	110.5	C366	C366-K368 PolarHBondContact O-N 2.89Å
369	P	83.5	Confident	71.6	Confident	66 Å²	66	60.5 Å²	60.5	43%	0.429	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-55.8	135.8	168.7	-25.5	35	0	0	0	112.3	F379	P369-F379 HydrophobicContact CB-CB 4.36Å; P369-F379 HydrophobicContact CB-CD2 3.75Å; P369-F379 HydrophobicContact CB-CE2 4.32Å; P369-F379 HydrophobicContact CB-CG 4.25Å; P369-F379 HydrophobicContact CG-CD2 4.45Å
370	C	79.3	Confident	72.9	Confident	22 Å²	22	56.9 Å²	56.9	15%	0.149	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	132.6	174.3	-61.9	0	0	0	0	110.3	P362 S372 F379 I380	P362-C370 WeakPolarHBondContact CB-SG 3.36Å; P362-C370 VanDerWaalsContact CG-SG 3.56Å; C370-S372 PolarHBondContact O-N 3.02Å; C370-F379 CarbonylContact O-C 3.57Å; C370-F379 WeakPolarHBondContact O-CA 3.31Å; C370-F379 VanDerWaalsContact O-CB 3.22Å; C370-F379 WeakPolarHBondContact O-CB 3.2Å; C370-I380 HydrophobicContact CB-CG2 3.91Å; C370-I380 PolarHBondContact N-O 2.86Å; C370-I380 PolarHBondContact O-N 3.39Å
371	V	73.5	Confident	74.3	Confident	105 Å²	105	50.5 Å²	50.5	64%	0.636	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.1	131.3	176	-177.8	0	0	0	0	109.7
372	S	65.1	Low	75.3	Confident	6 Å²	6	46.8 Å²	46.8	4%	0.042	27%	0.265	C	S	.	.			trans	-129.4	112.8	178.6	179.7	0	0	0	0	109.9	C370 A374 N375 G378	C370-S372 PolarHBondContact O-N 3.02Å; S372-A374 PolarHBondContact O-N 3.22Å; S372-N375 WeakPolarHBondContact CB-ND2 3.42Å; S372-N375 PolarHBondContact OG-ND2 2.55Å; S372-G378 PolarHBondContact N-O 3.12Å; S372-G378 CarbonylContact O-C 3.44Å
373	T	55.6	Low	76.3	Confident	120 Å²	120	46 Å²	46	74%	0.736	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-5.2	-179.5	46.5	0	0	0	0	114.3
374	A	56.5	Low	76.9	Confident	81 Å²	81	46 Å²	46	67%	0.669	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-12.7	-176.9	0	0	0	0	0	114.5	S372	S372-A374 PolarHBondContact O-N 3.22Å
375	N	57.4	Low	77.3	Confident	44 Å²	44	46 Å²	46	24%	0.235	26%	0.26	C	S	.	.	S	Bend	trans	-114.7	144.6	-161.2	-60	-12.6	0	0	0	113	V324 S372 H377 G378	V324-N375 HydrophobicContact CG1-CB 3.94Å; V324-N375 WeakPolarHBondContact CG1-ND2 3.2Å; V324-N375 WeakPolarHBondContact CG2-ND2 3.5Å; S372-N375 WeakPolarHBondContact CB-ND2 3.42Å; S372-N375 PolarHBondContact OG-ND2 2.55Å; N375-H377 VanDerWaalsContact C-N 3.27Å; N375-H377 PolarHBondContact O-N 2.77Å; N375-G378 PolarHBondContact O-N 3.31Å
376	K	54.4	Low	77.6	Confident	163 Å²	163	46 Å²	46	71%	0.709	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-37.1	177.7	-71.2	-177.9	175.8	180	0	113.9	E297	E297-K376 WeakPolarHBondContact OE1-CE 3.41Å; E297-K376 IonicContact OE1-NZ 3.42Å; E297-K376 PolarHBondContact OE1-NZ 3.01Å; E297-K376 IonicContact OE2-NZ 2.69Å; E297-K376 PolarHBondContact OE2-NZ 2.85Å
377	H	56.2	Low	77.8	Confident	93 Å²	93	45.2 Å²	45.2	43%	0.431	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-5.1	178.5	-59.6	115.4	0	0	0	113.9	N375 F379	N375-H377 VanDerWaalsContact C-N 3.27Å; N375-H377 PolarHBondContact O-N 2.77Å; H377-F379 WeakPolarHBondContact O-CD1 3.45Å; H377-F379 PolarHBondContact O-N 3.2Å; H377-F379 VanDerWaalsContact O-N 3.1Å
378	G	68.4	Low	77.9	Confident	33 Å²	33	45 Å²	45	34%	0.34	25%	0.252	S	S	.	.	S	Bend	trans	72.2	-7.3	177.2	0	0	0	0	0	116.7	S372 N375	S372-G378 PolarHBondContact N-O 3.12Å; S372-G378 CarbonylContact O-C 3.44Å; N375-G378 PolarHBondContact O-N 3.31Å
379	F	77.9	Confident	78.1	Confident	56 Å²	56	37.9 Å²	37.9	25%	0.246	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	172.3	175.7	61.3	-88.6	0	0	0	113.8	A327 E328 P369 C370 H377	A327-F379 HydrophobicContact CB-CD2 3.77Å; A327-F379 HydrophobicContact CB-CE2 3.72Å; E328-F379 HydrophobicContact CG-CZ 4Å; P369-F379 HydrophobicContact CB-CB 4.36Å; P369-F379 HydrophobicContact CB-CD2 3.75Å; P369-F379 HydrophobicContact CB-CE2 4.32Å; P369-F379 HydrophobicContact CB-CG 4.25Å; P369-F379 HydrophobicContact CG-CD2 4.45Å; C370-F379 CarbonylContact O-C 3.57Å; C370-F379 WeakPolarHBondContact O-CA 3.31Å; C370-F379 VanDerWaalsContact O-CB 3.22Å; C370-F379 WeakPolarHBondContact O-CB 3.2Å; H377-F379 WeakPolarHBondContact O-CD1 3.45Å; H377-F379 PolarHBondContact O-N 3.2Å; H377-F379 VanDerWaalsContact O-N 3.1Å
380	I	85.4	Confident	77.8	Confident	3 Å²	3	36.9 Å²	36.9	2%	0.015	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	144.5	178.2	-171.2	175.7	0	0	0	109.1	P198 V201 S323 V324 C370 L382	P198-I380 HydrophobicContact CG-CD1 4.27Å; V201-I380 HydrophobicContact CG2-CG2 4.02Å; S323-I380 WeakPolarHBondContact O-CG1 3.4Å; V324-I380 HydrophobicContact CG2-CB 4.21Å; V324-I380 HydrophobicContact CG2-CD1 3.64Å; V324-I380 HydrophobicContact CG2-CG1 3.73Å; C370-I380 HydrophobicContact CB-CG2 3.91Å; C370-I380 PolarHBondContact N-O 2.86Å; C370-I380 PolarHBondContact O-N 3.39Å; I380-L382 HydrophobicContact CD1-CD2 3.84Å; I380-L382 HydrophobicContact CG1-CD2 3.94Å; I380-L382 HydrophobicContact CG2-CD2 4.44Å
381	C	89.4	Confident	77.5	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.208	C	C	.	.			trans	-117.4	115.7	-180	-72.9	0	0	0	0	110.6	S323 A327 A330 N383 T384	S323-C381 WeakPolarHBondContact CB-O 3.32Å; S323-C381 PolarHBondContact O-N 3.15Å; S323-C381 VanDerWaalsContact O-N 3.07Å; A327-C381 HydrophobicContact CB-CB 4.31Å; A327-C381 PolarHBondContact O-SG 2.69Å; A330-C381 HydrophobicContact CB-CB 3.8Å; C381-N383 WeakPolarHBondContact CB-OD1 2.99Å; C381-T384 PolarHBondContact O-OG1 2.7Å
382	L	89.8	Confident	77.2	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.194	C	C	.	.			trans	-94.5	19.5	-174.9	-51.5	-170.9	0	0	0	113.7	L197 Y353 P362 G363 G364 I380 T384	L197-L382 HydrophobicContact CD2-CD1 4.32Å; Y353-L382 WeakPolarHBondContact CB-O 2.94Å; Y353-L382 HydrophobicContact CD1-CB 4.37Å; Y353-L382 HydrophobicContact CD1-CD1 4.39Å; Y353-L382 HydrophobicContact CD1-CD2 4.38Å; Y353-L382 HydrophobicContact CD2-CB 4.26Å; Y353-L382 HydrophobicContact CD2-CD2 4.35Å; Y353-L382 HydrophobicContact CE1-CD1 4.41Å; Y353-L382 HydrophobicContact CE1-CD2 3.97Å; Y353-L382 HydrophobicContact CE2-CD2 3.91Å; Y353-L382 HydrophobicContact CG-CB 4.11Å; P362-L382 HydrophobicContact CB-CD1 4.01Å; P362-L382 HydrophobicContact CB-CG 4.45Å; P362-L382 HydrophobicContact CG-CD1 4.07Å; G363-L382 CarbonylContact C-O 3.53Å; G363-L382 WeakPolarHBondContact CA-O 3.41Å; G364-L382 PolarHBondContact N-O 3.42Å; I380-L382 HydrophobicContact CD1-CD2 3.84Å; I380-L382 HydrophobicContact CG1-CD2 3.94Å; I380-L382 HydrophobicContact CG2-CD2 4.44Å; L382-T384 PolarHBondContact O-N 3.27Å
383	N	93.6	Very high	77.3	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	22%	0.215	C	C	.	.	S	Bend	trans	-87.9	44.8	171.3	61.1	-34.2	0	0	0	111.1	A330 V333 C334 L335 A336 G364 C381	A330-N383 PolarHBondContact O-ND2 2.82Å; V333-N383 PolarHBondContact O-ND2 3.2Å; C334-N383 PolarHBondContact O-ND2 3.45Å; L335-N383 CarbonylContact C-O 3.45Å; L335-N383 WeakPolarHBondContact CA-O 3.02Å; L335-N383 HydrophobicContact CD2-CB 4.18Å; A336-N383 PolarHBondContact N-O 2.6Å; G364-N383 VanDerWaalsContact O-CA 3.27Å; G364-N383 WeakPolarHBondContact O-CA 3.43Å; G364-N383 WeakPolarHBondContact O-CB 3.47Å; C381-N383 WeakPolarHBondContact CB-OD1 2.99Å
384	T	94.9	Very high	77.9	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	146.7	-161.9	39.8	0	0	0	0	113.6	F322 S323 I326 A336 Y353 C381 L382 N412	F322-T384 HydrophobicContact CD1-CG2 4.2Å; F322-T384 HydrophobicContact CE1-CG2 3.94Å; S323-T384 WeakPolarHBondContact OG-CB 3.4Å; S323-T384 PolarHBondContact OG-OG1 2.8Å; I326-T384 HydrophobicContact CG2-CG2 4.25Å; A336-T384 HydrophobicContact CB-CG2 4.07Å; A336-T384 VanDerWaalsContact O-CA 3.27Å; A336-T384 WeakPolarHBondContact O-CA 3.41Å; Y353-T384 VanDerWaalsContact CD2-OG1 3.28Å; Y353-T384 WeakPolarHBondContact CD2-OG1 3.48Å; Y353-T384 PolarHBondContact N-O 2.92Å; C381-T384 PolarHBondContact O-OG1 2.7Å; L382-T384 PolarHBondContact O-N 3.27Å; T384-N412 PolarHBondContact N-OD1 3.48Å; T384-N412 PolarHBondContact O-OD1 2.94Å
385	G	94.9	Very high	78.8	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	172	169.4	0	0	0	0	0	111.7	A336 H337 L338 L351	A336-G385 PolarHBondContact O-N 3.06Å; H337-G385 WeakPolarHBondContact CA-O 3.41Å; L338-G385 PolarHBondContact N-O 3.14Å; L351-G385 CarbonylContact O-C 3.46Å; L351-G385 VanDerWaalsContact O-CA 3.31Å; L351-G385 WeakPolarHBondContact O-CA 3.48Å
386	L	95.4	Very high	79.7	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	153	172.5	72.6	87	0	0	0	112.1	V315 L318 L319 L338 F344 G350 L351	V315-L386 HydrophobicContact CG2-CD1 4.03Å; L318-L386 HydrophobicContact CB-CD2 4.19Å; L318-L386 HydrophobicContact CD2-CD2 3.98Å; L318-L386 HydrophobicContact CG-CD2 3.98Å; L319-L386 HydrophobicContact CB-CD2 3.8Å; L319-L386 HydrophobicContact CD1-CD2 4.44Å; L338-L386 HydrophobicContact CB-CB 3.79Å; L338-L386 HydrophobicContact CD2-CB 4.27Å; L338-L386 HydrophobicContact CG-CB 4.27Å; L338-L386 CarbonylContact O-C 3.57Å; L338-L386 WeakPolarHBondContact O-CA 3.47Å; F344-L386 HydrophobicContact CE2-CD1 3.65Å; F344-L386 HydrophobicContact CZ-CD1 3.92Å; G350-L386 CarbonylContact C-O 3.52Å; G350-L386 WeakPolarHBondContact CA-O 3.31Å; L351-L386 HydrophobicContact CB-CG 4.42Å; L351-L386 PolarHBondContact N-O 3.02Å; L351-L386 PolarHBondContact O-N 3.36Å
387	T	94.1	Very high	80.8	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	136	174.5	-64.9	0	0	0	0	109.8	H337 L338 F339 T340 V404	H337-T387 PolarHBondContact NE2-N 2.8Å; H337-T387 PolarHBondContact NE2-OG1 2.69Å; L338-T387 PolarHBondContact O-N 2.76Å; F339-T387 WeakPolarHBondContact CA-O 3.36Å; T340-T387 PolarHBondContact N-O 3.03Å; T340-T387 VanDerWaalsContact N-O 3.08Å; T387-V404 HydrophobicContact CG2-CB 4.23Å; T387-V404 HydrophobicContact CG2-CG1 3.59Å
388	S	88.1	Confident	81.9	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	149	168.6	-168	0	0	0	0	111.5	T340 Q342 L349 K390	T340-S388 WeakPolarHBondContact O-CA 3.45Å; T340-S388 PolarHBondContact O-OG 3.48Å; Q342-S388 PolarHBondContact N-OG 2.95Å; Q342-S388 WeakPolarHBondContact O-CB 3.46Å; Q342-S388 PolarHBondContact O-OG 3.43Å; L349-S388 PolarHBondContact O-N 3.23Å; S388-K390 PolarHBondContact OG-N 3.46Å
389	T	86	Confident	82.6	Confident	1 Å²	1	19.1 Å²	19.1	1%	0.006	10%	0.099	C	C	.	.	S	Bend	trans	-103.9	13.4	174.6	39.6	0	0	0	0	113.1	F238 M242 Y253 T340 T395 I396 A401	F238-T389 HydrophobicContact CE2-CG2 3.85Å; F238-T389 WeakPolarHBondContact CE2-OG1 3.23Å; M242-T389 HydrophobicContact CE-CG2 4.15Å; M242-T389 HydrophobicContact CG-CG2 4.49Å; M242-T389 VanDerWaalsContact CG-OG1 3.23Å; M242-T389 WeakPolarHBondContact CG-OG1 3.41Å; Y253-T389 HydrophobicContact CE1-CG2 4.42Å; T340-T389 PolarHBondContact O-N 3.24Å; T340-T389 VanDerWaalsContact O-N 3.11Å; T340-T389 PolarHBondContact O-OG1 3.09Å; T340-T389 VanDerWaalsContact O-OG1 3.12Å; T389-T395 WeakPolarHBondContact O-CA 3.48Å; T389-I396 PolarHBondContact O-N 3.14Å; T389-A401 HydrophobicContact CG2-CB 4.34Å
390	K	78.4	Confident	82.7	Confident	45 Å²	45	18.1 Å²	18.1	20%	0.196	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	137.9	178.9	-164.2	-166.4	-179.6	-148.4	0	111.2	Y341 D343 S388 G393 K394	Y341-K390 HydrophobicContact CD1-CB 4.34Å; Y341-K390 HydrophobicContact CD1-CD 4.03Å; Y341-K390 HydrophobicContact CD2-CB 3.93Å; Y341-K390 HydrophobicContact CE1-CB 4.32Å; Y341-K390 HydrophobicContact CE1-CD 3.69Å; Y341-K390 HydrophobicContact CE1-CG 4.08Å; Y341-K390 HydrophobicContact CE2-CB 3.88Å; Y341-K390 HydrophobicContact CE2-CG 4.19Å; Y341-K390 HydrophobicContact CG-CB 4.18Å; D343-K390 HydrophobicContact CB-CD 3.89Å; D343-K390 WeakPolarHBondContact OD2-CE 3.22Å; D343-K390 IonicContact OD2-NZ 2.6Å; D343-K390 PolarHBondContact OD2-NZ 3.38Å; S388-K390 PolarHBondContact OG-N 3.46Å; K390-G393 WeakPolarHBondContact CE-O 3.31Å; K390-K394 CarbonylContact C-O 3.47Å; K390-K394 VanDerWaalsContact CA-O 3.27Å; K390-K394 WeakPolarHBondContact CA-O 3.47Å; K390-K394 VanDerWaalsContact CG-O 3.31Å; K390-K394 WeakPolarHBondContact CG-O 3.48Å
391	N	72.1	Confident	82.8	Confident	17 Å²	17	18 Å²	18	9%	0.091	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	138.8	173.9	-162.9	-0.1	0	0	0	111.6	D343 G347 L349 G393 K394 I396	D343-N391 WeakPolarHBondContact OD1-CA 3.47Å; G347-N391 VanDerWaalsContact CA-OD1 3.3Å; G347-N391 WeakPolarHBondContact CA-OD1 3.26Å; G347-N391 PolarHBondContact O-ND2 3.12Å; L349-N391 HydrophobicContact CD2-CB 3.81Å; N391-G393 PolarHBondContact O-N 2.89Å; N391-G393 VanDerWaalsContact O-N 3.14Å; N391-K394 PolarHBondContact N-O 3.45Å; N391-K394 PolarHBondContact O-N 3.4Å; N391-I396 HydrophobicContact CB-CG2 4.04Å
392	Y	67.4	Low	82.8	Confident	88 Å²	88	18.4 Å²	18.4	35%	0.345	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	41	47.9	-176.7	-56.3	-62.9	0	0	0	113.6	Q181 D343 E346 K394	Q181-Y392 HydrophobicContact CB-CE2 4.43Å; D343-Y392 PolarHBondContact OD1-N 3.12Å; E346-Y392 PolarHBondContact O-OH 2.98Å; E346-Y392 VanDerWaalsContact O-OH 3.06Å; Y392-K394 VanDerWaalsContact C-N 3.29Å; Y392-K394 PolarHBondContact O-N 3.25Å
393	G	68	Low	82.7	Confident	46 Å²	46	18.8 Å²	18.8	47%	0.474	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	-14.5	-180	0	0	0	0	0	116.1	D343 K390 N391	D343-G393 PolarHBondContact OD1-N 3.29Å; D343-G393 WeakPolarHBondContact OD2-CA 3.43Å; D343-G393 PolarHBondContact OD2-N 3.45Å; K390-G393 WeakPolarHBondContact CE-O 3.31Å; N391-G393 PolarHBondContact O-N 2.89Å; N391-G393 VanDerWaalsContact O-N 3.14Å
394	K	67.8	Low	82.4	Confident	90 Å²	90	19.3 Å²	19.3	39%	0.391	10%	0.102	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	153	-172.7	-61.2	-174.2	179.8	-174.5	0	112.9	S38 K390 N391 Y392	S38-K394 PolarHBondContact OG-NZ 3.37Å; K390-K394 CarbonylContact C-O 3.47Å; K390-K394 VanDerWaalsContact CA-O 3.27Å; K390-K394 WeakPolarHBondContact CA-O 3.47Å; K390-K394 VanDerWaalsContact CG-O 3.31Å; K390-K394 WeakPolarHBondContact CG-O 3.48Å; N391-K394 PolarHBondContact N-O 3.45Å; N391-K394 PolarHBondContact O-N 3.4Å; Y392-K394 VanDerWaalsContact C-N 3.29Å; Y392-K394 PolarHBondContact O-N 3.25Å
395	T	74.6	Confident	82.4	Confident	29 Å²	29	19.3 Å²	19.3	18%	0.178	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	135.1	162.5	-43.4	0	0	0	0	109.3	M242 Y341 T389	M242-T395 HydrophobicContact CE-CG2 4.08Å; M242-T395 HydrophobicContact SD-CG2 3.59Å; M242-T395 VanDerWaalsContact SD-CG2 3.59Å; Y341-T395 HydrophobicContact CE2-CG2 4.28Å; Y341-T395 PolarHBondContact OH-OG1 3.43Å; T389-T395 WeakPolarHBondContact O-CA 3.48Å
396	I	76.1	Confident	82.4	Confident	7 Å²	7	19.3 Å²	19.3	4%	0.036	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-76.1	154.9	171.9	68.6	-177.1	0	0	0	111	L349 T389 N391 E400 A401	L349-I396 HydrophobicContact CD2-CD1 4.21Å; L349-I396 HydrophobicContact CD2-CG2 3.93Å; T389-I396 PolarHBondContact O-N 3.14Å; N391-I396 HydrophobicContact CB-CG2 4.04Å; I396-E400 HydrophobicContact CB-CB 4.24Å; I396-E400 HydrophobicContact CB-CG 4.3Å; I396-E400 WeakPolarHBondContact CB-OE2 3.48Å; I396-A401 HydrophobicContact CD1-CB 3.78Å; I396-A401 HydrophobicContact CG1-CB 4.15Å
397	L	77.4	Confident	82.2	Confident	6 Å²	6	20 Å²	20	3%	0.031	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-68.8	149.8	171.9	-67.6	178.2	0	0	0	110.1	M39 L40 F157 Y169 I174 K399 E400 A401	M39-L397 HydrophobicContact CB-CD1 4.46Å; M39-L397 HydrophobicContact CE-CD2 4.32Å; M39-L397 HydrophobicContact SD-CD2 4.2Å; M39-L397 HydrophobicContact SD-CG 4.44Å; L40-L397 HydrophobicContact CD2-CD1 3.97Å; F157-L397 HydrophobicContact CD1-CD2 4.11Å; F157-L397 HydrophobicContact CE1-CD2 3.84Å; F157-L397 HydrophobicContact CZ-CD2 4.08Å; Y169-L397 HydrophobicContact CE2-CD1 4.26Å; I174-L397 HydrophobicContact CB-CD1 4.46Å; I174-L397 HydrophobicContact CD1-CD1 4.03Å; I174-L397 HydrophobicContact CG1-CD1 3.95Å; I174-L397 HydrophobicContact CG2-CD1 3.77Å; L397-K399 PolarHBondContact O-N 2.79Å; L397-E400 WeakPolarHBondContact O-CA 3.34Å; L397-E400 WeakPolarHBondContact O-CB 3.38Å; L397-E400 PolarHBondContact O-N 2.71Å; L397-A401 PolarHBondContact O-N 2.73Å
398	T	81.1	Confident	82.1	Confident	5 Å²	5	20.1 Å²	20.1	3%	0.031	11%	0.105	C	C	.	.	H	α-helix	trans	-58.2	-36.2	-177.6	-65.3	0	0	0	0	112.7	E152 Y253 E400 A401 D402	E152-T398 VanDerWaalsContact CD-OG1 3.3Å; E152-T398 WeakPolarHBondContact OE1-CB 3.27Å; E152-T398 PolarHBondContact OE1-OG1 3.44Å; E152-T398 VanDerWaalsContact OE2-CB 3.25Å; E152-T398 WeakPolarHBondContact OE2-CB 3.41Å; E152-T398 PolarHBondContact OE2-OG1 2.78Å; Y253-T398 HydrophobicContact CE2-CG2 4.44Å; T398-E400 VanDerWaalsContact C-N 3.31Å; T398-E400 PolarHBondContact O-N 3.37Å; T398-A401 CarbonylContact O-C 3.47Å; T398-A401 WeakPolarHBondContact O-CA 3.27Å; T398-A401 WeakPolarHBondContact O-CB 3.47Å; T398-A401 PolarHBondContact O-N 3.16Å; T398-A401 VanDerWaalsContact O-N 3.15Å; T398-D402 PolarHBondContact O-N 2.78Å
399	K	81.9	Confident	82.5	Confident	7 Å²	7	20.1 Å²	20.1	3%	0.03	11%	0.106	C	C	.	.	H	α-helix	trans	-62.1	-32.9	171.7	-172	-153.7	-179.8	-163.8	0	113.6	S171 I174 L397 L403 S443 G444	S171-K399 PolarHBondContact O-NZ 3.28Å; S171-K399 WeakPolarHBondContact OG-CD 3.19Å; S171-K399 VanDerWaalsContact OG-CE 3.25Å; S171-K399 WeakPolarHBondContact OG-CE 3.3Å; I174-K399 HydrophobicContact CD1-CB 4.46Å; I174-K399 HydrophobicContact CD1-CD 3.31Å; L397-K399 PolarHBondContact O-N 2.79Å; K399-L403 WeakPolarHBondContact O-CG 3.45Å; K399-L403 PolarHBondContact O-N 2.9Å; K399-S443 PolarHBondContact NZ-O 3.43Å; K399-G444 WeakPolarHBondContact CE-O 3.48Å; K399-G444 PolarHBondContact NZ-O 2.98Å
400	E	80.3	Confident	82.9	Confident	34 Å²	34	20.1 Å²	20.1	16%	0.159	11%	0.105	C	C	.	.	H	α-helix	trans	-73.5	-38.4	173.9	-169.7	170.2	-153	0	0	109.8	S178 I396 L397 T398 D402 L403 V404	S178-E400 PolarHBondContact OG-OE1 2.86Å; I396-E400 HydrophobicContact CB-CB 4.24Å; I396-E400 HydrophobicContact CB-CG 4.3Å; I396-E400 WeakPolarHBondContact CB-OE2 3.48Å; L397-E400 WeakPolarHBondContact O-CA 3.34Å; L397-E400 WeakPolarHBondContact O-CB 3.38Å; L397-E400 PolarHBondContact O-N 2.71Å; T398-E400 VanDerWaalsContact C-N 3.31Å; T398-E400 PolarHBondContact O-N 3.37Å; E400-D402 PolarHBondContact O-N 2.87Å; E400-L403 PolarHBondContact O-N 2.87Å; E400-V404 VanDerWaalsContact O-CG2 3.31Å; E400-V404 WeakPolarHBondContact O-CG2 3.24Å; E400-V404 PolarHBondContact O-N 2.77Å
401	A	86.5	Confident	83.4	Confident	0 Å²	0	18 Å²	18	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62.3	-39.2	172	0	0	0	0	0	113	Y253 T389 I396 L397 T398 L403 T405	Y253-A401 WeakPolarHBondContact OH-CB 3.39Å; T389-A401 HydrophobicContact CG2-CB 4.34Å; I396-A401 HydrophobicContact CD1-CB 3.78Å; I396-A401 HydrophobicContact CG1-CB 4.15Å; L397-A401 PolarHBondContact O-N 2.73Å; T398-A401 CarbonylContact O-C 3.47Å; T398-A401 WeakPolarHBondContact O-CA 3.27Å; T398-A401 WeakPolarHBondContact O-CB 3.47Å; T398-A401 PolarHBondContact O-N 3.16Å; T398-A401 VanDerWaalsContact O-N 3.15Å; A401-L403 VanDerWaalsContact C-N 3.34Å; A401-L403 PolarHBondContact O-N 2.98Å; A401-T405 VanDerWaalsContact O-CB 3.29Å; A401-T405 WeakPolarHBondContact O-CB 3.5Å; A401-T405 PolarHBondContact O-N 2.86Å; A401-T405 PolarHBondContact O-OG1 3.25Å
402	D	89.6	Confident	84.5	Confident	9 Å²	9	17.2 Å²	17.2	5%	0.048	9%	0.092	C	C	.	.	H	α-helix	trans	-58.2	-46.8	174.2	-61.7	-26.2	0	0	0	111	L257 R260 T398 E400 T405 T406	L257-D402 HydrophobicContact CD1-CB 4.44Å; L257-D402 WeakPolarHBondContact CD1-OD1 3.17Å; R260-D402 IonicContact CZ-OD1 3.45Å; R260-D402 VanDerWaalsContact CZ-OD1 3.29Å; R260-D402 IonicContact CZ-OD2 3.78Å; R260-D402 VanDerWaalsContact NE-CG 3.27Å; R260-D402 IonicContact NE-OD1 3.19Å; R260-D402 PolarHBondContact NE-OD1 2.68Å; R260-D402 IonicContact NE-OD2 3.29Å; R260-D402 PolarHBondContact NE-OD2 3.26Å; R260-D402 IonicContact NH2-OD1 2.72Å; R260-D402 PolarHBondContact NH2-OD1 3.5Å; R260-D402 IonicContact NH2-OD2 2.86Å; T398-D402 PolarHBondContact O-N 2.78Å; E400-D402 PolarHBondContact O-N 2.87Å; D402-T405 PolarHBondContact O-N 3.2Å; D402-T406 WeakPolarHBondContact O-CB 3.5Å; D402-T406 PolarHBondContact O-N 3.12Å; D402-T406 PolarHBondContact O-OG1 3.05Å
403	L	88.7	Confident	85.7	Confident	9 Å²	9	13 Å²	13	5%	0.047	8%	0.076	C	C	.	.	H	α-helix	trans	-70.3	-42.3	-177.8	-69.4	170	0	0	0	112.5	K399 E400 A401 T406 H407 V436 V442 G444 N449 K450	K399-L403 WeakPolarHBondContact O-CG 3.45Å; K399-L403 PolarHBondContact O-N 2.9Å; E400-L403 PolarHBondContact O-N 2.87Å; A401-L403 VanDerWaalsContact C-N 3.34Å; A401-L403 PolarHBondContact O-N 2.98Å; L403-T406 PolarHBondContact O-N 2.91Å; L403-H407 WeakPolarHBondContact O-CB 3.4Å; L403-H407 PolarHBondContact O-N 3.16Å; L403-V436 HydrophobicContact CD2-CG2 4.28Å; L403-V442 HydrophobicContact CD1-CG2 4.46Å; L403-G444 VanDerWaalsContact CD1-CA 3.45Å; L403-N449 WeakPolarHBondContact CD2-O 3.38Å; L403-K450 HydrophobicContact CD2-CG 4.15Å
404	V	87.1	Confident	86.7	Confident	12 Å²	12	10.8 Å²	10.8	7%	0.073	5%	0.053	C	C	.	.	H	α-helix	trans	-62.6	-46.7	173	175.2	0	0	0	0	110.6	L349 T387 E400 T406 H407 E408	L349-V404 HydrophobicContact CB-CG1 3.85Å; L349-V404 HydrophobicContact CB-CG2 3.81Å; L349-V404 HydrophobicContact CD1-CG2 3.78Å; L349-V404 HydrophobicContact CG-CG2 4.29Å; T387-V404 HydrophobicContact CG2-CB 4.23Å; T387-V404 HydrophobicContact CG2-CG1 3.59Å; E400-V404 VanDerWaalsContact O-CG2 3.31Å; E400-V404 WeakPolarHBondContact O-CG2 3.24Å; E400-V404 PolarHBondContact O-N 2.77Å; V404-T406 VanDerWaalsContact C-N 3.27Å; V404-T406 PolarHBondContact O-N 3.06Å; V404-H407 WeakPolarHBondContact O-CB 3.03Å; V404-H407 PolarHBondContact O-N 3.46Å; V404-E408 HydrophobicContact CG1-CG 4.38Å; V404-E408 WeakPolarHBondContact O-CG 3.07Å; V404-E408 PolarHBondContact O-N 2.72Å
405	T	94.2	Very high	87.8	Confident	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-61.2	-39.6	178.7	-53	0	0	0	0	110.7	I258 V261 F339 A401 D402 H407 E408 L409	I258-T405 HydrophobicContact CD1-CG2 4.09Å; V261-T405 HydrophobicContact CG2-CG2 4.15Å; F339-T405 HydrophobicContact CE1-CG2 4.18Å; F339-T405 HydrophobicContact CZ-CG2 4.12Å; A401-T405 VanDerWaalsContact O-CB 3.29Å; A401-T405 WeakPolarHBondContact O-CB 3.5Å; A401-T405 PolarHBondContact O-N 2.86Å; A401-T405 PolarHBondContact O-OG1 3.25Å; D402-T405 PolarHBondContact O-N 3.2Å; T405-H407 VanDerWaalsContact C-N 3.35Å; T405-H407 PolarHBondContact O-N 3.1Å; T405-E408 PolarHBondContact O-N 2.71Å; T405-L409 HydrophobicContact CG2-CD1 4.19Å; T405-L409 HydrophobicContact CG2-CG 4.43Å; T405-L409 WeakPolarHBondContact O-CB 3.03Å; T405-L409 VanDerWaalsContact O-CG 3.29Å; T405-L409 WeakPolarHBondContact O-CG 3.24Å; T405-L409 PolarHBondContact O-N 2.88Å
406	T	95.6	Very high	88.3	Confident	0 Å²	0	9 Å²	9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-63.8	-36.7	173.8	-57.2	0	0	0	0	112.5	I264 Y265 D402 L403 V404 G410 V436 F452	I264-T406 HydrophobicContact CB-CG2 4.46Å; I264-T406 HydrophobicContact CD1-CG2 4.45Å; I264-T406 HydrophobicContact CG2-CG2 3.84Å; Y265-T406 HydrophobicContact CE2-CG2 4Å; Y265-T406 PolarHBondContact OH-O 2.72Å; D402-T406 WeakPolarHBondContact O-CB 3.5Å; D402-T406 PolarHBondContact O-N 3.12Å; D402-T406 PolarHBondContact O-OG1 3.05Å; L403-T406 PolarHBondContact O-N 2.91Å; V404-T406 VanDerWaalsContact C-N 3.27Å; V404-T406 PolarHBondContact O-N 3.06Å; T406-G410 WeakPolarHBondContact O-CA 2.97Å; T406-G410 PolarHBondContact O-N 3.21Å; T406-V436 HydrophobicContact CG2-CG1 4.31Å; T406-V436 HydrophobicContact CG2-CG2 3.82Å; T406-F452 HydrophobicContact CG2-CE2 4.01Å; T406-F452 HydrophobicContact CG2-CZ 3.66Å
407	H	90.9	Very high	88.7	Confident	15 Å²	15	9.9 Å²	9.9	7%	0.069	5%	0.048	C	C	.	.	H	α-helix	trans	-65.5	-49.7	176.2	-172.8	102.5	0	0	0	111.9	L403 V404 T405 G410 H411 H417 V436 M437 Y438	L403-H407 WeakPolarHBondContact O-CB 3.4Å; L403-H407 PolarHBondContact O-N 3.16Å; V404-H407 WeakPolarHBondContact O-CB 3.03Å; V404-H407 PolarHBondContact O-N 3.46Å; T405-H407 VanDerWaalsContact C-N 3.35Å; T405-H407 PolarHBondContact O-N 3.1Å; H407-G410 WeakPolarHBondContact O-CA 3.41Å; H407-G410 PolarHBondContact O-N 2.83Å; H407-H411 AromaticContact CD2-CD2 3.82Å; H407-H411 AromaticContact CD2-NE2 3.74Å; H407-H411 AromaticContact NE2-CD2 3.98Å; H407-H411 AromaticContact NE2-NE2 3.39Å; H407-H411 PolarHBondContact NE2-NE2 2.88Å; H407-H411 PolarHBondContact O-N 3.45Å; H407-H417 AromaticContact CE1-CD2 3.48Å; H407-H417 PolarHBondContact CE1-CD2 3.02Å; H407-H417 VanDerWaalsContact CE1-CD2 3.48Å; H407-H417 AromaticContact CE1-NE2 3.31Å; H407-H417 PolarHBondContact CE1-NE2 2.66Å; H407-H417 VanDerWaalsContact CE1-NE2 3.31Å; H407-H417 AromaticContact NE2-CD2 3.55Å; H407-H417 AromaticContact NE2-NE2 2.91Å; H407-H417 PolarHBondContact NE2-NE2 2.85Å; H407-V436 PolarHBondContact ND1-O 2.72Å; H407-M437 WeakPolarHBondContact O-CE 3.49Å; H407-Y438 PolarHBondContact CE1-O 3.2Å; H407-Y438 VanDerWaalsContact CE1-O 3.28Å
408	E	93.4	Very high	88.9	Confident	2 Å²	2	9.7 Å²	9.7	1%	0.009	5%	0.047	C	C	.	.	H	α-helix	trans	-69.5	-35.6	-179.1	-59.5	-50.7	146.5	0	0	113	G350 L351 A352 V404 T405 G410 H411 N412	G350-E408 WeakPolarHBondContact CA-OE1 3.47Å; L351-E408 WeakPolarHBondContact CA-OE2 3.33Å; L351-E408 PolarHBondContact N-OE2 2.68Å; A352-E408 HydrophobicContact CB-CB 4.29Å; A352-E408 VanDerWaalsContact CB-O 3.27Å; A352-E408 WeakPolarHBondContact CB-O 3.05Å; A352-E408 WeakPolarHBondContact CB-OE2 3.39Å; A352-E408 PolarHBondContact N-OE2 2.86Å; A352-E408 VanDerWaalsContact N-OE2 3.14Å; V404-E408 HydrophobicContact CG1-CG 4.38Å; V404-E408 WeakPolarHBondContact O-CG 3.07Å; V404-E408 PolarHBondContact O-N 2.72Å; T405-E408 PolarHBondContact O-N 2.71Å; E408-G410 VanDerWaalsContact C-N 3.27Å; E408-H411 IonicContact OE2-CD2 3.23Å; E408-N412 PolarHBondContact O-N 2.61Å; E408-N412 VanDerWaalsContact O-N 3.11Å; E408-N412 PolarHBondContact O-ND2 3.14Å
409	L	95.8	Very high	88.7	Confident	1 Å²	1	11.9 Å²	11.9	1%	0.005	6%	0.061	C	C	.	.	H	α-helix	trans	-69.6	-28.4	168.4	-64.2	-176.1	0	0	0	111.1	M230 V261 Y265 L335 T405 N412 F413	M230-L409 HydrophobicContact CE-CD1 3.87Å; M230-L409 HydrophobicContact CE-CD2 3.6Å; M230-L409 HydrophobicContact CE-CG 4.4Å; M230-L409 HydrophobicContact SD-CD1 4.08Å; V261-L409 HydrophobicContact CG1-CD1 3.96Å; Y265-L409 HydrophobicContact CE2-CB 4.34Å; Y265-L409 WeakPolarHBondContact OH-CB 3.45Å; Y265-L409 PolarHBondContact OH-O 2.88Å; L335-L409 HydrophobicContact CD1-CD2 3.99Å; T405-L409 HydrophobicContact CG2-CD1 4.19Å; T405-L409 HydrophobicContact CG2-CG 4.43Å; T405-L409 WeakPolarHBondContact O-CB 3.03Å; T405-L409 VanDerWaalsContact O-CG 3.29Å; T405-L409 WeakPolarHBondContact O-CG 3.24Å; T405-L409 PolarHBondContact O-N 2.88Å; L409-N412 CarbonylContact O-C 3.01Å; L409-N412 PolarHBondContact O-N 2.72Å; L409-F413 WeakPolarHBondContact O-CB 3.36Å; L409-F413 VanDerWaalsContact O-CD2 3.23Å; L409-F413 WeakPolarHBondContact O-CD2 3.37Å; L409-F413 PolarHBondContact O-N 2.72Å
410	G	94.4	Very high	88.2	Confident	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64	-43.7	175.6	0	0	0	0	0	111.5	Y265 T406 H407 E408 F413 G414 A415	Y265-G410 WeakPolarHBondContact OH-CA 3.46Å; Y265-G410 PolarHBondContact OH-N 3.22Å; T406-G410 WeakPolarHBondContact O-CA 2.97Å; T406-G410 PolarHBondContact O-N 3.21Å; H407-G410 WeakPolarHBondContact O-CA 3.41Å; H407-G410 PolarHBondContact O-N 2.83Å; E408-G410 VanDerWaalsContact C-N 3.27Å; G410-F413 CarbonylContact O-C 3.45Å; G410-F413 PolarHBondContact O-N 3Å; G410-G414 PolarHBondContact O-N 2.89Å; G410-G414 VanDerWaalsContact O-N 3.09Å; G410-A415 WeakPolarHBondContact O-CB 3.43Å; G410-A415 PolarHBondContact O-N 3.14Å
411	H	89.3	Confident	88	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-57.9	-50.2	168	-77.2	-40.8	0	0	0	112.2	Y188 A352 V354 A355 H407 E408 F413 G414 A415 H417 M437	Y188-H411 AromaticContact CD1-CE1 3.9Å; Y188-H411 AromaticContact CG-CE1 3.84Å; A352-H411 HydrophobicContact CB-CB 3.57Å; V354-H411 WeakPolarHBondContact CA-O 3.41Å; V354-H411 HydrophobicContact CG2-CB 3.79Å; A355-H411 PolarHBondContact N-O 2.9Å; H407-H411 AromaticContact CD2-CD2 3.82Å; H407-H411 AromaticContact CD2-NE2 3.74Å; H407-H411 AromaticContact NE2-CD2 3.98Å; H407-H411 AromaticContact NE2-NE2 3.39Å; H407-H411 PolarHBondContact NE2-NE2 2.88Å; H407-H411 PolarHBondContact O-N 3.45Å; E408-H411 IonicContact OE2-CD2 3.23Å; H411-F413 VanDerWaalsContact C-N 3.25Å; H411-F413 PolarHBondContact O-N 3.34Å; H411-G414 VanDerWaalsContact O-CA 3.32Å; H411-G414 WeakPolarHBondContact O-CA 3.37Å; H411-G414 PolarHBondContact O-N 2.86Å; H411-A415 WeakPolarHBondContact CA-O 3.33Å; H411-A415 PolarHBondContact ND1-O 3.33Å; H411-H417 AromaticContact CE1-CD2 3.61Å; H411-H417 AromaticContact CE1-CE1 3.81Å; H411-H417 AromaticContact CE1-NE2 3.37Å; H411-H417 PolarHBondContact CE1-NE2 2.8Å; H411-H417 AromaticContact NE2-CD2 3.66Å; H411-H417 AromaticContact NE2-CE1 3.54Å; H411-H417 AromaticContact NE2-NE2 2.99Å; H411-H417 PolarHBondContact NE2-NE2 2.79Å; H411-M437 VanDerWaalsContact CE1-CE 3.49Å; H411-M437 WeakPolarHBondContact CE1-CE 3.38Å
412	N	94	Very high	87.8	Confident	1 Å²	1	22.5 Å²	22.5	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-57.8	-35.8	175.7	-85.6	-86.1	0	0	0	113.1	L335 A352 A355 G364 L365 T384 E408 L409 G414	L335-N412 HydrophobicContact CD1-CB 3.83Å; L335-N412 HydrophobicContact CD2-CB 3.78Å; L335-N412 WeakPolarHBondContact CD2-OD1 3.46Å; L335-N412 HydrophobicContact CG-CB 4.48Å; A352-N412 VanDerWaalsContact CB-ND2 3.33Å; A352-N412 WeakPolarHBondContact CB-ND2 3.04Å; A355-N412 WeakPolarHBondContact CB-O 3.49Å; G364-N412 CarbonylContact C-O 3.54Å; G364-N412 VanDerWaalsContact CA-O 3.26Å; G364-N412 WeakPolarHBondContact CA-O 3.49Å; L365-N412 PolarHBondContact N-O 3.26Å; T384-N412 PolarHBondContact N-OD1 3.48Å; T384-N412 PolarHBondContact O-OD1 2.94Å; E408-N412 PolarHBondContact O-N 2.61Å; E408-N412 VanDerWaalsContact O-N 3.11Å; E408-N412 PolarHBondContact O-ND2 3.14Å; L409-N412 CarbonylContact O-C 3.01Å; L409-N412 PolarHBondContact O-N 2.72Å; N412-G414 PolarHBondContact O-N 3.25Å
413	F	93.9	Very high	87.4	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-73.9	-10.1	173.1	-86.8	-119.8	0	0	0	113.7	C228 Y265 V279 L335 L365 L409 G410 H411 I460 R463 L464 F472	C228-F413 HydrophobicContact CB-CZ 4.3Å; Y265-F413 HydrophobicContact CD1-CD1 4.02Å; Y265-F413 AromaticContact CD1-CE1 3.67Å; Y265-F413 HydrophobicContact CD1-CE1 3.67Å; Y265-F413 HydrophobicContact CD1-CE2 4.26Å; Y265-F413 HydrophobicContact CD1-CG 4.47Å; Y265-F413 AromaticContact CD1-CZ 3.8Å; Y265-F413 HydrophobicContact CD1-CZ 3.8Å; Y265-F413 HydrophobicContact CE1-CB 4.39Å; Y265-F413 AromaticContact CE1-CD1 3.65Å; Y265-F413 HydrophobicContact CE1-CD1 3.65Å; Y265-F413 AromaticContact CE1-CD2 3.74Å; Y265-F413 HydrophobicContact CE1-CD2 3.74Å; Y265-F413 AromaticContact CE1-CE1 3.7Å; Y265-F413 HydrophobicContact CE1-CE1 3.7Å; Y265-F413 AromaticContact CE1-CE2 3.76Å; Y265-F413 HydrophobicContact CE1-CE2 3.76Å; Y265-F413 AromaticContact CE1-CG 3.67Å; Y265-F413 HydrophobicContact CE1-CG 3.67Å; Y265-F413 AromaticContact CE1-CZ 3.75Å; Y265-F413 HydrophobicContact CE1-CZ 3.75Å; V279-F413 HydrophobicContact CG1-CE2 4.09Å; V279-F413 HydrophobicContact CG1-CZ 4.06Å; L335-F413 HydrophobicContact CD1-CD2 4.08Å; L335-F413 HydrophobicContact CD1-CE2 3.83Å; L365-F413 HydrophobicContact CD1-CB 4.21Å; L365-F413 HydrophobicContact CD1-CD1 3.87Å; L365-F413 HydrophobicContact CD1-CD2 4.26Å; L365-F413 HydrophobicContact CD1-CE1 4.33Å; L365-F413 HydrophobicContact CD1-CG 3.83Å; L365-F413 HydrophobicContact CD2-CD2 3.81Å; L365-F413 HydrophobicContact CD2-CE1 4.45Å; L365-F413 HydrophobicContact CD2-CE2 3.73Å; L365-F413 HydrophobicContact CD2-CG 4.24Å; L365-F413 HydrophobicContact CD2-CZ 4.07Å; L365-F413 HydrophobicContact CG-CD2 4.1Å; L365-F413 HydrophobicContact CG-CE2 4.5Å; L365-F413 HydrophobicContact CG-CG 4.15Å; L409-F413 WeakPolarHBondContact O-CB 3.36Å; L409-F413 VanDerWaalsContact O-CD2 3.23Å; L409-F413 WeakPolarHBondContact O-CD2 3.37Å; L409-F413 PolarHBondContact O-N 2.72Å; G410-F413 CarbonylContact O-C 3.45Å; G410-F413 PolarHBondContact O-N 3Å; H411-F413 VanDerWaalsContact C-N 3.25Å; H411-F413 PolarHBondContact O-N 3.34Å; F413-I460 HydrophobicContact CB-CD1 4Å; F413-I460 HydrophobicContact CB-CG1 3.9Å; F413-I460 HydrophobicContact CB-CG2 4.01Å; F413-I460 HydrophobicContact CD1-CG2 3.96Å; F413-R463 WeakPolarHBondContact O-CB 3.24Å; F413-R463 WeakPolarHBondContact O-CG 2.99Å; F413-L464 HydrophobicContact CD1-CD2 4.22Å; F413-L464 HydrophobicContact CE1-CD2 4.23Å; F413-F472 HydrophobicContact CE1-CZ 4.3Å; F413-F472 HydrophobicContact CZ-CZ 4.39Å
414	G	88.3	Confident	87.2	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.8	16.1	171.9	0	0	0	0	0	115.9	G410 H411 N412 S459	G410-G414 PolarHBondContact O-N 2.89Å; G410-G414 VanDerWaalsContact O-N 3.09Å; H411-G414 VanDerWaalsContact O-CA 3.32Å; H411-G414 WeakPolarHBondContact O-CA 3.37Å; H411-G414 PolarHBondContact O-N 2.86Å; N412-G414 PolarHBondContact O-N 3.25Å; G414-S459 VanDerWaalsContact O-CB 3.29Å; G414-S459 WeakPolarHBondContact O-CB 3.38Å
415	A	89.8	Confident	87	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.			trans	-73.8	142	165.5	0	0	0	0	0	111	G410 H411 M437 I460	G410-A415 WeakPolarHBondContact O-CB 3.43Å; G410-A415 PolarHBondContact O-N 3.14Å; H411-A415 WeakPolarHBondContact CA-O 3.33Å; H411-A415 PolarHBondContact ND1-O 3.33Å; A415-M437 HydrophobicContact CB-CE 4.02Å; A415-M437 HydrophobicContact CB-CG 3.9Å; A415-M437 HydrophobicContact CB-SD 4.22Å; A415-I460 HydrophobicContact CB-CD1 3.88Å; A415-I460 HydrophobicContact CB-CG1 4.01Å
416	E	86.1	Confident	86.5	Confident	81 Å²	81	32.2 Å²	32.2	38%	0.379	17%	0.169	S	C	.	.			trans	-98.3	174.1	161	-67.4	170.8	-168.3	0	0	107.9	Y188 V354	Y188-E416 HydrophobicContact CE2-CB 4.4Å; Y188-E416 HydrophobicContact CE2-CG 3.95Å; V354-E416 HydrophobicContact CG1-CG 4.39Å
417	H	83.7	Confident	85.8	Confident	26 Å²	26	32.7 Å²	32.7	12%	0.12	17%	0.171	C	C	.	.			trans	-64.7	141.9	179	-74.6	135.1	0	0	0	113.1	C186 Y188 H407 H411 P419 M437 P439	C186-H417 PolarHBondContact O-CE1 3.06Å; Y188-H417 AromaticContact CD1-CE1 3.47Å; Y188-H417 VanDerWaalsContact CD1-CE1 3.47Å; Y188-H417 WeakPolarHBondContact CD1-CE1 3.39Å; Y188-H417 AromaticContact CD1-ND1 3.39Å; Y188-H417 WeakPolarHBondContact CD1-ND1 3.26Å; Y188-H417 AromaticContact CE1-CE1 3.98Å; Y188-H417 AromaticContact CE1-ND1 3.4Å; Y188-H417 WeakPolarHBondContact CE1-ND1 3.45Å; H407-H417 AromaticContact CE1-CD2 3.48Å; H407-H417 PolarHBondContact CE1-CD2 3.02Å; H407-H417 VanDerWaalsContact CE1-CD2 3.48Å; H407-H417 AromaticContact CE1-NE2 3.31Å; H407-H417 PolarHBondContact CE1-NE2 2.66Å; H407-H417 VanDerWaalsContact CE1-NE2 3.31Å; H407-H417 AromaticContact NE2-CD2 3.55Å; H407-H417 AromaticContact NE2-NE2 2.91Å; H407-H417 PolarHBondContact NE2-NE2 2.85Å; H411-H417 AromaticContact CE1-CD2 3.61Å; H411-H417 AromaticContact CE1-CE1 3.81Å; H411-H417 AromaticContact CE1-NE2 3.37Å; H411-H417 PolarHBondContact CE1-NE2 2.8Å; H411-H417 AromaticContact NE2-CD2 3.66Å; H411-H417 AromaticContact NE2-CE1 3.54Å; H411-H417 AromaticContact NE2-NE2 2.99Å; H411-H417 PolarHBondContact NE2-NE2 2.79Å; H417-P419 VanDerWaalsContact O-CD 3.3Å; H417-P419 WeakPolarHBondContact O-CD 3.25Å; H417-M437 CarbonylContact C-O 3.52Å; H417-M437 VanDerWaalsContact CA-O 3.3Å; H417-M437 WeakPolarHBondContact CA-O 3.34Å; H417-M437 PolarHBondContact CD2-O 2.89Å; H417-P439 HydrophobicContact CB-CB 4.04Å; H417-P439 HydrophobicContact CB-CG 4.27Å
418	D	81.5	Confident	84.9	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.199	C	C	.	.			trans	-68.8	114.8	176.2	-78	-42.7	0	0	0	110.4	D420 C425 Y435 M437 S453 S456	D418-D420 PolarHBondContact O-N 2.86Å; D418-C425 HydrophobicContact CB-CB 4.31Å; D418-C425 VanDerWaalsContact CB-O 3.3Å; D418-C425 WeakPolarHBondContact CB-O 3.44Å; D418-Y435 WeakPolarHBondContact OD2-CB 3.43Å; D418-M437 PolarHBondContact N-O 2.7Å; D418-M437 WeakPolarHBondContact OD2-CB 3.33Å; D418-S453 VanDerWaalsContact CG-OG 3.31Å; D418-S453 VanDerWaalsContact OD1-CB 3.31Å; D418-S453 WeakPolarHBondContact OD1-CB 3.21Å; D418-S453 PolarHBondContact OD1-OG 2.9Å; D418-S453 WeakPolarHBondContact OD2-CB 3.23Å; D418-S456 PolarHBondContact OD1-OG 3.15Å; D418-S456 PolarHBondContact OD2-OG 3.01Å
419	P	77.1	Confident	83.5	Confident	52 Å²	52	45 Å²	45	34%	0.338	22%	0.222	S	C	.	.			trans	-76.5	125.4	-168.7	28.7	-33.8	0	0	0	111.7	H417 N421 V422	H417-P419 VanDerWaalsContact O-CD 3.3Å; H417-P419 WeakPolarHBondContact O-CD 3.25Å; P419-N421 PolarHBondContact O-N 3.33Å; P419-V422 HydrophobicContact CB-CG2 4.4Å; P419-V422 HydrophobicContact CG-CB 4.04Å; P419-V422 HydrophobicContact CG-CG2 3.72Å; P419-V422 PolarHBondContact O-N 3.17Å
420	D	72.8	Confident	82.1	Confident	93 Å²	93	51.2 Å²	51.2	50%	0.497	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-23.4	-170.9	-164	63.8	0	0	0	114.6	D418 V422 K434 Y438	D418-D420 PolarHBondContact O-N 2.86Å; D420-V422 VanDerWaalsContact C-N 3.29Å; D420-V422 PolarHBondContact O-N 2.88Å; D420-K434 IonicContact OD1-NZ 3.01Å; D420-K434 PolarHBondContact OD1-NZ 3.49Å; D420-Y438 HydrophobicContact CB-CE2 4.18Å; D420-Y438 WeakPolarHBondContact OD1-CE2 3.25Å; D420-Y438 PolarHBondContact OD1-OH 2.94Å
421	N	75.6	Confident	81.1	Confident	138 Å²	138	56.7 Å²	56.7	74%	0.738	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-1.5	176.2	67.3	-10.2	0	0	0	114.3	P419 P423	P419-N421 PolarHBondContact O-N 3.33Å; N421-P423 WeakPolarHBondContact O-CD 3.37Å
422	V	82.4	Confident	80.2	Confident	32 Å²	32	57.5 Å²	57.5	19%	0.194	29%	0.288	C	S	.	.			trans	-110.2	99.7	178.6	-179.9	0	0	0	0	110.1	P419 D420 Y424 C425 A426	P419-V422 HydrophobicContact CB-CG2 4.4Å; P419-V422 HydrophobicContact CG-CB 4.04Å; P419-V422 HydrophobicContact CG-CG2 3.72Å; P419-V422 PolarHBondContact O-N 3.17Å; D420-V422 VanDerWaalsContact C-N 3.29Å; D420-V422 PolarHBondContact O-N 2.88Å; V422-Y424 HydrophobicContact CG1-CD1 3.54Å; V422-Y424 HydrophobicContact CG1-CD2 4.36Å; V422-Y424 HydrophobicContact CG1-CE1 3.26Å; V422-Y424 HydrophobicContact CG1-CE2 4.13Å; V422-Y424 HydrophobicContact CG1-CG 4.08Å; V422-Y424 PolarHBondContact O-N 3.09Å; V422-C425 HydrophobicContact CB-CB 4.43Å; V422-C425 HydrophobicContact CG1-CB 4.14Å; V422-C425 PolarHBondContact O-N 3.28Å; V422-A426 PolarHBondContact O-N 3.44Å
423	P	79.9	Confident	79.5	Confident	93 Å²	93	57.5 Å²	57.5	60%	0.604	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-21	-170.3	-26.9	36	0	0	0	116.1	N421 P427	N421-P423 WeakPolarHBondContact O-CD 3.37Å; P423-P427 VanDerWaalsContact O-CA 3.3Å; P423-P427 WeakPolarHBondContact O-CA 3.48Å; P423-P427 WeakPolarHBondContact O-CB 3.28Å
424	Y	85.9	Confident	78.9	Confident	138 Å²	138	59.4 Å²	59.4	54%	0.541	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-5.4	177.1	72.2	-96.8	0	0	0	113.9	V422 N454	V422-Y424 HydrophobicContact CG1-CD1 3.54Å; V422-Y424 HydrophobicContact CG1-CD2 4.36Å; V422-Y424 HydrophobicContact CG1-CE1 3.26Å; V422-Y424 HydrophobicContact CG1-CE2 4.13Å; V422-Y424 HydrophobicContact CG1-CG 4.08Å; V422-Y424 PolarHBondContact O-N 3.09Å; Y424-N454 HydrophobicContact CD2-CB 4.27Å
425	C	83.4	Confident	78.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117	-23.9	173	-59.9	0	0	0	0	112.4	D418 V422 Y435 C455	D418-C425 HydrophobicContact CB-CB 4.31Å; D418-C425 VanDerWaalsContact CB-O 3.3Å; D418-C425 WeakPolarHBondContact CB-O 3.44Å; V422-C425 HydrophobicContact CB-CB 4.43Å; V422-C425 HydrophobicContact CG1-CB 4.14Å; V422-C425 PolarHBondContact O-N 3.28Å; C425-Y435 WeakPolarHBondContact O-CD2 3.41Å; C425-C455 HydrophobicContact CB-CB 3.79Å; C425-C455 WeakPolarHBondContact CB-SG 3.49Å; C425-C455 WeakPolarHBondContact SG-CB 3.23Å; C425-C455 PolarHBondContact SG-N 2.72Å; C425-C455 CovalentContact SG-SG 2.03Å; C425-C455 PolarHBondContact SG-SG 3.03Å
426	A	82.8	Confident	78.9	Confident	4 Å²	4	61.5 Å²	61.5	3%	0.033	31%	0.306	C	S	.	.	S	Bend	trans	-126.7	60.3	170.9	0	0	0	0	0	112.2	V422 K434 Y438	V422-A426 PolarHBondContact O-N 3.44Å; A426-K434 HydrophobicContact CB-CD 4.08Å; A426-K434 PolarHBondContact O-NZ 3.28Å; A426-Y438 HydrophobicContact CB-CD2 4.15Å; A426-Y438 HydrophobicContact CB-CE2 4.03Å
427	P	80.9	Confident	79.1	Confident	9 Å²	9	57.7 Å²	57.7	6%	0.058	29%	0.288	C	S	.	.			trans	-59.7	167.5	-180	18.6	-26.6	0	0	0	113.8	P423 Q431 G433 K434 Y435	P423-P427 VanDerWaalsContact O-CA 3.3Å; P423-P427 WeakPolarHBondContact O-CA 3.48Å; P423-P427 WeakPolarHBondContact O-CB 3.28Å; P427-Q431 HydrophobicContact CB-CB 4.01Å; P427-G433 WeakPolarHBondContact CG-O 3.47Å; P427-K434 VanDerWaalsContact O-CD 3.22Å; P427-K434 WeakPolarHBondContact O-CD 3.49Å; P427-K434 VanDerWaalsContact O-CE 3.28Å; P427-K434 WeakPolarHBondContact O-CE 3.28Å; P427-Y435 HydrophobicContact CG-CD2 3.93Å; P427-Y435 HydrophobicContact CG-CE2 3.49Å; P427-Y435 VanDerWaalsContact CG-CE2 3.49Å
428	R	71.4	Confident	79	Confident	175 Å²	175	58.2 Å²	58.2	66%	0.66	29%	0.289	S	S	*	.			trans	-84.9	166.6	-177.6	-65	179.2	178.2	179.1	-0.6	112.2	D430 Q431 G432 G433	R428-D430 VanDerWaalsContact C-N 3.27Å; R428-D430 WeakPolarHBondContact CB-OD1 3.11Å; R428-D430 PolarHBondContact O-N 3.06Å; R428-Q431 HydrophobicContact CB-CG 4.49Å; R428-Q431 CarbonylContact O-C 3.55Å; R428-Q431 WeakPolarHBondContact O-CA 3.19Å; R428-Q431 WeakPolarHBondContact O-CB 3.45Å; R428-Q431 PolarHBondContact O-N 3.21Å; R428-G432 PolarHBondContact O-N 3.03Å; R428-G433 PolarHBondContact O-N 3.21Å
429	E	64.3	Low	78.3	Confident	102 Å²	102	59.2 Å²	59.2	48%	0.477	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-54.8	-41.4	175.7	-65.6	177.9	-172.2	0	0	112.6	R179 Q431 G432	R179-E429 IonicContact CZ-OE1 3.08Å; R179-E429 IonicContact NH1-OE1 3.49Å; R179-E429 PolarHBondContact NH1-OE1 2.92Å; R179-E429 IonicContact NH2-OE1 2.9Å; R179-E429 PolarHBondContact NH2-OE1 3.44Å; E429-Q431 PolarHBondContact O-N 3.47Å; E429-G432 PolarHBondContact O-N 2.91Å
430	D	67.1	Low	77.8	Confident	130 Å²	130	59.6 Å²	59.6	70%	0.695	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-71.4	-5.3	175.5	63.1	-38.5	0	0	0	113.9	R428	R428-D430 VanDerWaalsContact C-N 3.27Å; R428-D430 WeakPolarHBondContact CB-OD1 3.11Å; R428-D430 PolarHBondContact O-N 3.06Å
431	Q	73.4	Confident	77.4	Confident	115 Å²	115	57.2 Å²	57.2	54%	0.537	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-114.4	23	176.5	-60.9	-178	-40.6	0	0	112.2	P427 R428 E429 N448	P427-Q431 HydrophobicContact CB-CB 4.01Å; R428-Q431 HydrophobicContact CB-CG 4.49Å; R428-Q431 CarbonylContact O-C 3.55Å; R428-Q431 WeakPolarHBondContact O-CA 3.19Å; R428-Q431 WeakPolarHBondContact O-CB 3.45Å; R428-Q431 PolarHBondContact O-N 3.21Å; E429-Q431 PolarHBondContact O-N 3.47Å; Q431-N448 PolarHBondContact O-ND2 3.32Å
432	G	70.3	Confident	76.9	Confident	17 Å²	17	51.5 Å²	51.5	18%	0.175	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.1	15.8	178.5	0	0	0	0	0	114.6	R428 E429 H446 N448	R428-G432 PolarHBondContact O-N 3.03Å; E429-G432 PolarHBondContact O-N 2.91Å; G432-H446 WeakPolarHBondContact O-CB 3.12Å; G432-N448 WeakPolarHBondContact O-CB 3.34Å; G432-N448 PolarHBondContact O-N 3.12Å; G432-N448 PolarHBondContact O-ND2 3.11Å; G432-N448 VanDerWaalsContact O-ND2 3.15Å
433	G	78.8	Confident	75.8	Confident	1 Å²	1	51 Å²	51	1%	0.01	26%	0.255	C	S	.	.			trans	77.6	-176.5	175.6	0	0	0	0	0	114.1	P427 R428 N448	P427-G433 WeakPolarHBondContact CG-O 3.47Å; R428-G433 PolarHBondContact O-N 3.21Å; G433-N448 WeakPolarHBondContact O-CB 3.49Å; G433-N448 PolarHBondContact O-ND2 3.33Å
434	K	81.1	Confident	75.2	Confident	41 Å²	41	46.7 Å²	46.7	18%	0.178	23%	0.227	C	C	.	.			trans	-77.8	154.5	177.7	-59.6	-69.7	177.1	173.3	0	111.5	D420 A426 P427 Y438 V442 N448 N449	D420-K434 IonicContact OD1-NZ 3.01Å; D420-K434 PolarHBondContact OD1-NZ 3.49Å; A426-K434 HydrophobicContact CB-CD 4.08Å; A426-K434 PolarHBondContact O-NZ 3.28Å; P427-K434 VanDerWaalsContact O-CD 3.22Å; P427-K434 WeakPolarHBondContact O-CD 3.49Å; P427-K434 VanDerWaalsContact O-CE 3.28Å; P427-K434 WeakPolarHBondContact O-CE 3.28Å; K434-Y438 HydrophobicContact CB-CD1 3.95Å; K434-Y438 HydrophobicContact CB-CD2 4.12Å; K434-Y438 HydrophobicContact CB-CG 3.68Å; K434-Y438 HydrophobicContact CD-CD1 4.25Å; K434-Y438 HydrophobicContact CD-CD2 3.6Å; K434-Y438 HydrophobicContact CD-CE1 4.15Å; K434-Y438 HydrophobicContact CD-CE2 3.52Å; K434-Y438 HydrophobicContact CD-CG 3.98Å; K434-Y438 HydrophobicContact CG-CD1 3.77Å; K434-Y438 HydrophobicContact CG-CD2 3.98Å; K434-Y438 HydrophobicContact CG-CE1 3.9Å; K434-Y438 HydrophobicContact CG-CE2 4.14Å; K434-Y438 HydrophobicContact CG-CG 3.8Å; K434-V442 HydrophobicContact CB-CG1 4.09Å; K434-N448 CarbonylContact O-C 3.56Å; K434-N448 VanDerWaalsContact O-C 3.3Å; K434-N449 VanDerWaalsContact O-CA 3.3Å; K434-N449 WeakPolarHBondContact O-CA 3.37Å; K434-N449 PolarHBondContact O-N 3.08Å; K434-N449 PolarHBondContact O-ND2 3.47Å
435	Y	89	Confident	74.2	Confident	42 Å²	42	43.5 Å²	43.5	17%	0.165	22%	0.22	C	C	.	.			trans	-78.8	168.1	175.3	-72.1	-69.5	0	0	0	112.6	D418 C425 P427 M437 Y438 N448 L451 S453	D418-Y435 WeakPolarHBondContact OD2-CB 3.43Å; C425-Y435 WeakPolarHBondContact O-CD2 3.41Å; P427-Y435 HydrophobicContact CG-CD2 3.93Å; P427-Y435 HydrophobicContact CG-CE2 3.49Å; P427-Y435 VanDerWaalsContact CG-CE2 3.49Å; Y435-M437 PolarHBondContact O-N 3.32Å; Y435-Y438 VanDerWaalsContact O-CB 3.31Å; Y435-Y438 WeakPolarHBondContact O-CB 3.49Å; Y435-Y438 PolarHBondContact O-N 3.49Å; Y435-Y438 VanDerWaalsContact O-N 3.12Å; Y435-N448 WeakPolarHBondContact CA-O 3.33Å; Y435-N448 HydrophobicContact CD1-CB 3.57Å; Y435-N448 WeakPolarHBondContact CD1-O 3.45Å; Y435-N448 HydrophobicContact CE1-CB 3.51Å; Y435-N448 VanDerWaalsContact CE1-CG 3.47Å; Y435-N448 WeakPolarHBondContact CE1-OD1 3.22Å; Y435-N448 HydrophobicContact CG-CB 4.15Å; Y435-N448 PolarHBondContact OH-OD1 3.25Å; Y435-L451 WeakPolarHBondContact CB-O 3.5Å; Y435-L451 HydrophobicContact CD1-CB 3.85Å; Y435-L451 WeakPolarHBondContact CD1-O 3.3Å; Y435-L451 HydrophobicContact CE1-CB 3.95Å; Y435-S453 VanDerWaalsContact CG-CB 3.5Å
436	V	90.2	Very high	73.6	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.012	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-29.7	-174	75.9	0	0	0	0	113.5	L403 T406 H407 Y438 N449 L451 F452	L403-V436 HydrophobicContact CD2-CG2 4.28Å; T406-V436 HydrophobicContact CG2-CG1 4.31Å; T406-V436 HydrophobicContact CG2-CG2 3.82Å; H407-V436 PolarHBondContact ND1-O 2.72Å; V436-Y438 VanDerWaalsContact C-N 3.28Å; V436-Y438 PolarHBondContact O-N 3.48Å; V436-N449 WeakPolarHBondContact CA-O 3.4Å; V436-N449 VanDerWaalsContact CB-O 3.28Å; V436-N449 WeakPolarHBondContact CB-O 3.46Å; V436-L451 WeakPolarHBondContact CG1-O 3.38Å; V436-L451 PolarHBondContact N-O 2.92Å; V436-F452 HydrophobicContact CG1-CD1 3.56Å; V436-F452 HydrophobicContact CG1-CD2 4.43Å; V436-F452 HydrophobicContact CG1-CE1 3.53Å; V436-F452 HydrophobicContact CG1-CE2 4.4Å; V436-F452 HydrophobicContact CG1-CG 4.03Å; V436-F452 HydrophobicContact CG1-CZ 3.97Å
437	M	89.3	Confident	73.3	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	18.6	178.7	-60.4	-54.5	-50.8	0	0	113.6	H407 H411 A415 H417 D418 Y435 F452	H407-M437 WeakPolarHBondContact O-CE 3.49Å; H411-M437 VanDerWaalsContact CE1-CE 3.49Å; H411-M437 WeakPolarHBondContact CE1-CE 3.38Å; A415-M437 HydrophobicContact CB-CE 4.02Å; A415-M437 HydrophobicContact CB-CG 3.9Å; A415-M437 HydrophobicContact CB-SD 4.22Å; H417-M437 CarbonylContact C-O 3.52Å; H417-M437 VanDerWaalsContact CA-O 3.3Å; H417-M437 WeakPolarHBondContact CA-O 3.34Å; H417-M437 PolarHBondContact CD2-O 2.89Å; D418-M437 PolarHBondContact N-O 2.7Å; D418-M437 WeakPolarHBondContact OD2-CB 3.33Å; Y435-M437 PolarHBondContact O-N 3.32Å; M437-F452 HydrophobicContact CG-CD1 3.83Å; M437-F452 HydrophobicContact CG-CE1 3.93Å; M437-F452 HydrophobicContact SD-CD1 4.4Å; M437-F452 HydrophobicContact SD-CE1 3.89Å
438	Y	82.4	Confident	73.5	Confident	37 Å²	37	50.8 Å²	50.8	15%	0.145	26%	0.26	C	S	.	.			trans	-69.4	136.6	172.6	-168.8	-113.1	0	0	0	110.8	H407 D420 A426 K434 Y435 V436 I440	H407-Y438 PolarHBondContact CE1-O 3.2Å; H407-Y438 VanDerWaalsContact CE1-O 3.28Å; D420-Y438 HydrophobicContact CB-CE2 4.18Å; D420-Y438 WeakPolarHBondContact OD1-CE2 3.25Å; D420-Y438 PolarHBondContact OD1-OH 2.94Å; A426-Y438 HydrophobicContact CB-CD2 4.15Å; A426-Y438 HydrophobicContact CB-CE2 4.03Å; K434-Y438 HydrophobicContact CB-CD1 3.95Å; K434-Y438 HydrophobicContact CB-CD2 4.12Å; K434-Y438 HydrophobicContact CB-CG 3.68Å; K434-Y438 HydrophobicContact CD-CD1 4.25Å; K434-Y438 HydrophobicContact CD-CD2 3.6Å; K434-Y438 HydrophobicContact CD-CE1 4.15Å; K434-Y438 HydrophobicContact CD-CE2 3.52Å; K434-Y438 HydrophobicContact CD-CG 3.98Å; K434-Y438 HydrophobicContact CG-CD1 3.77Å; K434-Y438 HydrophobicContact CG-CD2 3.98Å; K434-Y438 HydrophobicContact CG-CE1 3.9Å; K434-Y438 HydrophobicContact CG-CE2 4.14Å; K434-Y438 HydrophobicContact CG-CG 3.8Å; Y435-Y438 VanDerWaalsContact O-CB 3.31Å; Y435-Y438 WeakPolarHBondContact O-CB 3.49Å; Y435-Y438 PolarHBondContact O-N 3.49Å; Y435-Y438 VanDerWaalsContact O-N 3.12Å; V436-Y438 VanDerWaalsContact C-N 3.28Å; V436-Y438 PolarHBondContact O-N 3.48Å; Y438-I440 HydrophobicContact CD1-CB 4.1Å; Y438-I440 WeakPolarHBondContact CD1-O 3.3Å; Y438-I440 HydrophobicContact CE1-CB 3.98Å; Y438-I440 HydrophobicContact CE1-CD1 4.36Å; Y438-I440 HydrophobicContact CE1-CG1 4.34Å; Y438-I440 PolarHBondContact O-N 3.42Å
439	P	67.5	Low	74	Confident	22 Å²	22	42.6 Å²	42.6	14%	0.143	23%	0.229	C	C	.	.	S	Bend	trans	-67	-1.5	-172.2	22.2	-32.2	0	0	0	116.1	V185 C186 H417	V185-P439 HydrophobicContact CG1-CB 3.84Å; V185-P439 HydrophobicContact CG2-CB 4.34Å; C186-P439 PolarHBondContact N-O 2.9Å; H417-P439 HydrophobicContact CB-CB 4.04Å; H417-P439 HydrophobicContact CB-CG 4.27Å
440	I	65.8	Low	75	Confident	61 Å²	61	40.4 Å²	40.4	31%	0.313	22%	0.218	S	C	.	.	S	Bend	trans	-123.8	135.9	175.9	-57.9	173.9	0	0	0	107.2	P183 Y438 V442	P183-I440 HydrophobicContact CB-CG2 4.38Å; P183-I440 HydrophobicContact CG-CG2 3.95Å; Y438-I440 HydrophobicContact CD1-CB 4.1Å; Y438-I440 WeakPolarHBondContact CD1-O 3.3Å; Y438-I440 HydrophobicContact CE1-CB 3.98Å; Y438-I440 HydrophobicContact CE1-CD1 4.36Å; Y438-I440 HydrophobicContact CE1-CG1 4.34Å; Y438-I440 PolarHBondContact O-N 3.42Å; I440-V442 PolarHBondContact O-N 3.24Å
441	A	63.3	Low	76.1	Confident	42 Å²	42	37.8 Å²	37.8	35%	0.347	20%	0.204	S	C	.	.			trans	-48.6	132.8	-176.8	0	0	0	0	0	112.9	L349	L349-A441 HydrophobicContact CD1-CB 4.13Å
442	V	65.3	Low	77.1	Confident	19 Å²	19	32.5 Å²	32.5	12%	0.115	18%	0.179	C	C	.	.			trans	-101	132.4	-178.2	-72	0	0	0	0	111.3	L403 K434 I440 G444 N449	L403-V442 HydrophobicContact CD1-CG2 4.46Å; K434-V442 HydrophobicContact CB-CG1 4.09Å; I440-V442 PolarHBondContact O-N 3.24Å; V442-G444 PolarHBondContact O-N 2.94Å; V442-G444 VanDerWaalsContact O-N 3.17Å; V442-N449 HydrophobicContact CB-CB 4.08Å; V442-N449 HydrophobicContact CG2-CB 4.02Å
443	S	60.8	Low	78.2	Confident	20 Å²	20	31.7 Å²	31.7	14%	0.14	17%	0.171	C	C	.	.			trans	-68.8	-9.2	-177.4	30.2	0	0	0	0	114.9	N176 K399 D445	N176-S443 WeakPolarHBondContact ND2-CB 3.46Å; N176-S443 PolarHBondContact ND2-OG 3.26Å; K399-S443 PolarHBondContact NZ-O 3.43Å; S443-D445 VanDerWaalsContact CB-OD1 3.26Å; S443-D445 WeakPolarHBondContact CB-OD1 3.39Å; S443-D445 PolarHBondContact O-N 2.76Å; S443-D445 VanDerWaalsContact O-N 3.12Å; S443-D445 PolarHBondContact OG-OD1 3.26Å
444	G	67.4	Low	78.8	Confident	3 Å²	3	35.8 Å²	35.8	3%	0.031	19%	0.193	C	C	.	.	S	Bend	trans	70.7	2.6	179.2	0	0	0	0	0	114.7	K399 L403 V442 N449	K399-G444 WeakPolarHBondContact CE-O 3.48Å; K399-G444 PolarHBondContact NZ-O 2.98Å; L403-G444 VanDerWaalsContact CD1-CA 3.45Å; V442-G444 PolarHBondContact O-N 2.94Å; V442-G444 VanDerWaalsContact O-N 3.17Å; G444-N449 VanDerWaalsContact C-OD1 3.31Å; G444-N449 VanDerWaalsContact CA-OD1 3.23Å; G444-N449 WeakPolarHBondContact CA-OD1 3.21Å; G444-N449 PolarHBondContact N-OD1 3.01Å; G444-N449 VanDerWaalsContact N-OD1 3.09Å
445	D	63.7	Low	79.3	Confident	71 Å²	71	35.2 Å²	35.2	38%	0.38	19%	0.193	S	C	.	.			trans	-75.5	-25.5	-177.8	56.9	-32.5	0	0	0	112.1	S443 N449	S443-D445 VanDerWaalsContact CB-OD1 3.26Å; S443-D445 WeakPolarHBondContact CB-OD1 3.39Å; S443-D445 PolarHBondContact O-N 2.76Å; S443-D445 VanDerWaalsContact O-N 3.12Å; S443-D445 PolarHBondContact OG-OD1 3.26Å; D445-N449 PolarHBondContact N-OD1 3.17Å; D445-N449 PolarHBondContact OD1-OD1 3.39Å
446	H	70.3	Confident	79.5	Confident	44 Å²	44	33.3 Å²	33.3	20%	0.204	19%	0.186	C	C	.	.	S	Bend	trans	-101.3	149.3	175.5	-56.9	-91.4	0	0	0	113.3	G432 N448 N449	G432-H446 WeakPolarHBondContact O-CB 3.12Å; H446-N448 VanDerWaalsContact C-N 3.31Å; H446-N448 PolarHBondContact O-N 3.38Å; H446-N449 PolarHBondContact N-OD1 3.14Å; H446-N449 VanDerWaalsContact O-CB 3.31Å; H446-N449 WeakPolarHBondContact O-CB 3.35Å; H446-N449 VanDerWaalsContact O-CG 3.3Å; H446-N449 PolarHBondContact O-N 3.16Å; H446-N449 PolarHBondContact O-OD1 2.89Å
447	V	77.9	Confident	79.7	Confident	108 Å²	108	35.5 Å²	35.5	66%	0.655	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-56.8	-35.1	-175.8	-65	0	0	0	0	114.9	N449	V447-N449 VanDerWaalsContact C-N 3.3Å; V447-N449 PolarHBondContact O-N 3.35Å
448	N	84.8	Confident	79.8	Confident	14 Å²	14	40.7 Å²	40.7	8%	0.075	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-72.9	-22.5	179.7	-65.3	-25.6	0	0	0	112.5	Q431 G432 G433 K434 Y435 H446 K450 L451	Q431-N448 PolarHBondContact O-ND2 3.32Å; G432-N448 WeakPolarHBondContact O-CB 3.34Å; G432-N448 PolarHBondContact O-N 3.12Å; G432-N448 PolarHBondContact O-ND2 3.11Å; G432-N448 VanDerWaalsContact O-ND2 3.15Å; G433-N448 WeakPolarHBondContact O-CB 3.49Å; G433-N448 PolarHBondContact O-ND2 3.33Å; K434-N448 CarbonylContact O-C 3.56Å; K434-N448 VanDerWaalsContact O-C 3.3Å; Y435-N448 WeakPolarHBondContact CA-O 3.33Å; Y435-N448 HydrophobicContact CD1-CB 3.57Å; Y435-N448 WeakPolarHBondContact CD1-O 3.45Å; Y435-N448 HydrophobicContact CE1-CB 3.51Å; Y435-N448 VanDerWaalsContact CE1-CG 3.47Å; Y435-N448 WeakPolarHBondContact CE1-OD1 3.22Å; Y435-N448 HydrophobicContact CG-CB 4.15Å; Y435-N448 PolarHBondContact OH-OD1 3.25Å; H446-N448 VanDerWaalsContact C-N 3.31Å; H446-N448 PolarHBondContact O-N 3.38Å; N448-K450 PolarHBondContact O-N 3.06Å; N448-L451 PolarHBondContact O-N 3.42Å
449	N	82.6	Confident	80.1	Confident	3 Å²	3	40.1 Å²	40.1	2%	0.016	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-60.2	-26.2	-173.5	-60.3	155.7	0	0	0	112.8	L403 K434 V436 V442 G444 D445 H446 V447	L403-N449 WeakPolarHBondContact CD2-O 3.38Å; K434-N449 VanDerWaalsContact O-CA 3.3Å; K434-N449 WeakPolarHBondContact O-CA 3.37Å; K434-N449 PolarHBondContact O-N 3.08Å; K434-N449 PolarHBondContact O-ND2 3.47Å; V436-N449 WeakPolarHBondContact CA-O 3.4Å; V436-N449 VanDerWaalsContact CB-O 3.28Å; V436-N449 WeakPolarHBondContact CB-O 3.46Å; V442-N449 HydrophobicContact CB-CB 4.08Å; V442-N449 HydrophobicContact CG2-CB 4.02Å; G444-N449 VanDerWaalsContact C-OD1 3.31Å; G444-N449 VanDerWaalsContact CA-OD1 3.23Å; G444-N449 WeakPolarHBondContact CA-OD1 3.21Å; G444-N449 PolarHBondContact N-OD1 3.01Å; G444-N449 VanDerWaalsContact N-OD1 3.09Å; D445-N449 PolarHBondContact N-OD1 3.17Å; D445-N449 PolarHBondContact OD1-OD1 3.39Å; H446-N449 PolarHBondContact N-OD1 3.14Å; H446-N449 VanDerWaalsContact O-CB 3.31Å; H446-N449 WeakPolarHBondContact O-CB 3.35Å; H446-N449 VanDerWaalsContact O-CG 3.3Å; H446-N449 PolarHBondContact O-N 3.16Å; H446-N449 PolarHBondContact O-OD1 2.89Å; V447-N449 VanDerWaalsContact C-N 3.3Å; V447-N449 PolarHBondContact O-N 3.35Å
450	K	83.5	Confident	81.3	Confident	56 Å²	56	39.1 Å²	39.1	24%	0.243	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-95.8	6.9	178.9	-55.2	172.9	-172.1	174	0	113.5	E148 I264 L403 N448	E148-K450 IonicContact OE1-NZ 3.18Å; E148-K450 PolarHBondContact OE1-NZ 3.16Å; E148-K450 WeakPolarHBondContact OE2-CE 3.32Å; E148-K450 IonicContact OE2-NZ 2.72Å; E148-K450 PolarHBondContact OE2-NZ 3.27Å; I264-K450 VanDerWaalsContact CG2-O 3.28Å; I264-K450 WeakPolarHBondContact CG2-O 3.38Å; L403-K450 HydrophobicContact CD2-CG 4.15Å; N448-K450 PolarHBondContact O-N 3.06Å
451	L	90.6	Very high	82.6	Confident	76 Å²	76	36.7 Å²	36.7	40%	0.398	20%	0.203	S	C	.	.	S	Bend	trans	-119.4	146.6	-173.9	-60.4	177.5	0	0	0	109.9	Y435 V436 N448	Y435-L451 WeakPolarHBondContact CB-O 3.5Å; Y435-L451 HydrophobicContact CD1-CB 3.85Å; Y435-L451 WeakPolarHBondContact CD1-O 3.3Å; Y435-L451 HydrophobicContact CE1-CB 3.95Å; V436-L451 WeakPolarHBondContact CG1-O 3.38Å; V436-L451 PolarHBondContact N-O 2.92Å; N448-L451 PolarHBondContact O-N 3.42Å
452	F	93.9	Very high	83.9	Confident	3 Å²	3	39.7 Å²	39.7	1%	0.013	21%	0.208	C	C	.	.			trans	-78.8	135.8	165.8	-69.3	-80.9	0	0	0	110.2	I264 Y265 T268 W270 T406 V436 M437 K457 I460	I264-F452 HydrophobicContact CG2-CE2 4.15Å; Y265-F452 HydrophobicContact CD2-CE2 4.46Å; Y265-F452 HydrophobicContact CE1-CE2 4.42Å; Y265-F452 HydrophobicContact CE1-CZ 4.18Å; Y265-F452 HydrophobicContact CE2-CE2 4.21Å; Y265-F452 AromaticContact CE2-CZ 3.99Å; Y265-F452 HydrophobicContact CE2-CZ 3.99Å; Y265-F452 AromaticContact CZ-CZ 3.7Å; T268-F452 HydrophobicContact CG2-CD2 4.24Å; W270-F452 AromaticContact CH2-CD2 3.51Å; W270-F452 HydrophobicContact CH2-CD2 3.51Å; W270-F452 AromaticContact CH2-CE2 3.59Å; W270-F452 HydrophobicContact CH2-CE2 3.59Å; W270-F452 HydrophobicContact CH2-CG 4.02Å; W270-F452 HydrophobicContact CH2-CZ 4.17Å; W270-F452 HydrophobicContact CZ2-CE2 4.49Å; W270-F452 HydrophobicContact CZ3-CB 4.25Å; W270-F452 HydrophobicContact CZ3-CD1 4.42Å; W270-F452 AromaticContact CZ3-CD2 3.83Å; W270-F452 HydrophobicContact CZ3-CD2 3.83Å; W270-F452 HydrophobicContact CZ3-CE2 4.31Å; W270-F452 AromaticContact CZ3-CG 3.89Å; W270-F452 HydrophobicContact CZ3-CG 3.89Å; T406-F452 HydrophobicContact CG2-CE2 4.01Å; T406-F452 HydrophobicContact CG2-CZ 3.66Å; V436-F452 HydrophobicContact CG1-CD1 3.56Å; V436-F452 HydrophobicContact CG1-CD2 4.43Å; V436-F452 HydrophobicContact CG1-CE1 3.53Å; V436-F452 HydrophobicContact CG1-CE2 4.4Å; V436-F452 HydrophobicContact CG1-CG 4.03Å; V436-F452 HydrophobicContact CG1-CZ 3.97Å; M437-F452 HydrophobicContact CG-CD1 3.83Å; M437-F452 HydrophobicContact CG-CE1 3.93Å; M437-F452 HydrophobicContact SD-CD1 4.4Å; M437-F452 HydrophobicContact SD-CE1 3.89Å; F452-K457 HydrophobicContact CB-CG 3.98Å; F452-K457 VanDerWaalsContact O-CE 3.29Å; F452-K457 WeakPolarHBondContact O-CE 3.37Å; F452-I460 HydrophobicContact CD1-CD1 4.03Å; F452-I460 HydrophobicContact CE1-CD1 4.05Å
453	S	93.6	Very high	85	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.203	C	C	.	.			trans	-70.9	167.9	176.8	100.4	0	0	0	0	111.4	D418 Y435 C455 S456 K457	D418-S453 VanDerWaalsContact CG-OG 3.31Å; D418-S453 VanDerWaalsContact OD1-CB 3.31Å; D418-S453 WeakPolarHBondContact OD1-CB 3.21Å; D418-S453 PolarHBondContact OD1-OG 2.9Å; D418-S453 WeakPolarHBondContact OD2-CB 3.23Å; Y435-S453 VanDerWaalsContact CG-CB 3.5Å; S453-C455 PolarHBondContact O-N 2.72Å; S453-C455 WeakPolarHBondContact OG-CB 3.33Å; S453-C455 PolarHBondContact OG-N 2.86Å; S453-S456 WeakPolarHBondContact CB-OG 3.48Å; S453-S456 PolarHBondContact N-OG 2.86Å; S453-S456 PolarHBondContact O-N 3.3Å; S453-S456 PolarHBondContact O-OG 3.29Å; S453-S456 PolarHBondContact OG-N 2.89Å; S453-S456 PolarHBondContact OG-OG 3.38Å; S453-S456 VanDerWaalsContact OG-OG 3.11Å; S453-K457 WeakPolarHBondContact O-CB 2.99Å; S453-K457 VanDerWaalsContact O-CG 3.3Å; S453-K457 WeakPolarHBondContact O-CG 3.48Å; S453-K457 PolarHBondContact O-N 2.72Å
454	N	91.2	Very high	86.4	Confident	88 Å²	88	38 Å²	38	47%	0.471	20%	0.196	S	C	.	.	H	α-helix	trans	-64.3	-24.4	172.9	-71.8	-22.6	0	0	0	113	Y424 Q458	Y424-N454 HydrophobicContact CD2-CB 4.27Å; N454-Q458 WeakPolarHBondContact O-CB 3.2Å; N454-Q458 WeakPolarHBondContact O-CG 3.19Å; N454-Q458 PolarHBondContact O-N 2.91Å
455	C	91.4	Very high	87.4	Confident	28 Å²	28	43.1 Å²	43.1	19%	0.189	21%	0.214	C	C	.	.	H	α-helix	trans	-70.3	-51.9	170.2	-67.4	0	0	0	0	110.6	C425 S453 K457 Q458 S459	C425-C455 HydrophobicContact CB-CB 3.79Å; C425-C455 WeakPolarHBondContact CB-SG 3.49Å; C425-C455 WeakPolarHBondContact SG-CB 3.23Å; C425-C455 PolarHBondContact SG-N 2.72Å; C425-C455 CovalentContact SG-SG 2.03Å; C425-C455 PolarHBondContact SG-SG 3.03Å; S453-C455 PolarHBondContact O-N 2.72Å; S453-C455 WeakPolarHBondContact OG-CB 3.33Å; S453-C455 PolarHBondContact OG-N 2.86Å; C455-K457 PolarHBondContact O-N 2.68Å; C455-Q458 PolarHBondContact O-N 3.36Å; C455-S459 PolarHBondContact O-N 3.27Å; C455-S459 VanDerWaalsContact O-N 3.13Å
456	S	93.6	Very high	88.4	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.014	21%	0.214	C	C	.	.	H	α-helix	trans	-62	-43.6	-177.4	5.5	0	0	0	0	111.3	D418 S453 S459 I460	D418-S456 PolarHBondContact OD1-OG 3.15Å; D418-S456 PolarHBondContact OD2-OG 3.01Å; S453-S456 WeakPolarHBondContact CB-OG 3.48Å; S453-S456 PolarHBondContact N-OG 2.86Å; S453-S456 PolarHBondContact O-N 3.3Å; S453-S456 PolarHBondContact O-OG 3.29Å; S453-S456 PolarHBondContact OG-N 2.89Å; S453-S456 PolarHBondContact OG-OG 3.38Å; S453-S456 VanDerWaalsContact OG-OG 3.11Å; S456-S459 PolarHBondContact O-N 3.18Å; S456-I460 WeakPolarHBondContact O-CG1 3.46Å; S456-I460 PolarHBondContact O-N 3.03Å
457	K	94.4	Very high	89.2	Confident	48 Å²	48	40.7 Å²	40.7	21%	0.209	21%	0.207	C	C	.	.	H	α-helix	trans	-56.4	-50.7	172.3	-70.4	-179.4	-176.3	-147.3	0	112.3	T268 S269 W270 F452 S453 C455 S459 I460 V461	T268-K457 HydrophobicContact CG2-CD 4.42Å; T268-K457 HydrophobicContact CG2-CG 4.35Å; S269-K457 PolarHBondContact O-NZ 2.8Å; W270-K457 HydrophobicContact CE3-CG 4.19Å; F452-K457 HydrophobicContact CB-CG 3.98Å; F452-K457 VanDerWaalsContact O-CE 3.29Å; F452-K457 WeakPolarHBondContact O-CE 3.37Å; S453-K457 WeakPolarHBondContact O-CB 2.99Å; S453-K457 VanDerWaalsContact O-CG 3.3Å; S453-K457 WeakPolarHBondContact O-CG 3.48Å; S453-K457 PolarHBondContact O-N 2.72Å; C455-K457 PolarHBondContact O-N 2.68Å; K457-S459 PolarHBondContact O-N 3.3Å; K457-I460 PolarHBondContact O-N 2.95Å; K457-V461 VanDerWaalsContact O-CB 3.32Å; K457-V461 WeakPolarHBondContact O-CB 3.31Å; K457-V461 WeakPolarHBondContact O-CG2 3.48Å; K457-V461 PolarHBondContact O-N 3.01Å
458	Q	90.9	Very high	89.7	Confident	110 Å²	110	35.6 Å²	35.6	51%	0.514	18%	0.176	S	C	.	.	H	α-helix	trans	-60.7	-27.3	-179.9	-78.3	175.5	24.7	0	0	113.6	N454 C455 K462	N454-Q458 WeakPolarHBondContact O-CB 3.2Å; N454-Q458 WeakPolarHBondContact O-CG 3.19Å; N454-Q458 PolarHBondContact O-N 2.91Å; C455-Q458 PolarHBondContact O-N 3.36Å; Q458-K462 WeakPolarHBondContact O-CD 3.4Å; Q458-K462 WeakPolarHBondContact O-CE 3.46Å; Q458-K462 VanDerWaalsContact O-CG 3.3Å; Q458-K462 WeakPolarHBondContact O-CG 3.33Å; Q458-K462 PolarHBondContact O-NZ 3.11Å
459	S	90.1	Very high	89.8	Confident	25 Å²	25	37.2 Å²	37.2	18%	0.175	19%	0.191	C	C	.	.	H	α-helix	trans	-81.3	-46.7	174.4	-65.6	0	0	0	0	112	G414 C455 S456 K457 V461 K462 R463	G414-S459 VanDerWaalsContact O-CB 3.29Å; G414-S459 WeakPolarHBondContact O-CB 3.38Å; C455-S459 PolarHBondContact O-N 3.27Å; C455-S459 VanDerWaalsContact O-N 3.13Å; S456-S459 PolarHBondContact O-N 3.18Å; K457-S459 PolarHBondContact O-N 3.3Å; S459-V461 PolarHBondContact O-N 2.96Å; S459-K462 WeakPolarHBondContact O-CB 3.49Å; S459-K462 PolarHBondContact O-N 2.79Å; S459-R463 PolarHBondContact O-N 3.05Å
460	I	93.3	Very high	90	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.2	-44.6	179.2	-69.2	171.5	0	0	0	111.7	W270 F413 A415 F452 S456 K457 K462 R463 L464	W270-I460 HydrophobicContact CD2-CG2 4.11Å; W270-I460 HydrophobicContact CE3-CB 4Å; W270-I460 HydrophobicContact CE3-CD1 4.38Å; W270-I460 HydrophobicContact CE3-CG2 3.61Å; W270-I460 HydrophobicContact CH2-CD1 4Å; W270-I460 HydrophobicContact CH2-CG2 4.21Å; W270-I460 HydrophobicContact CZ3-CB 3.99Å; W270-I460 HydrophobicContact CZ3-CD1 3.5Å; W270-I460 VanDerWaalsContact CZ3-CD1 3.5Å; W270-I460 HydrophobicContact CZ3-CG1 4.32Å; W270-I460 HydrophobicContact CZ3-CG2 3.69Å; F413-I460 HydrophobicContact CB-CD1 4Å; F413-I460 HydrophobicContact CB-CG1 3.9Å; F413-I460 HydrophobicContact CB-CG2 4.01Å; F413-I460 HydrophobicContact CD1-CG2 3.96Å; A415-I460 HydrophobicContact CB-CD1 3.88Å; A415-I460 HydrophobicContact CB-CG1 4.01Å; F452-I460 HydrophobicContact CD1-CD1 4.03Å; F452-I460 HydrophobicContact CE1-CD1 4.05Å; S456-I460 WeakPolarHBondContact O-CG1 3.46Å; S456-I460 PolarHBondContact O-N 3.03Å; K457-I460 PolarHBondContact O-N 2.95Å; I460-K462 PolarHBondContact O-N 3.28Å; I460-R463 WeakPolarHBondContact O-CA 3.14Å; I460-R463 WeakPolarHBondContact O-CB 3.09Å; I460-R463 PolarHBondContact O-N 2.97Å; I460-L464 HydrophobicContact CG2-CD1 4.08Å; I460-L464 HydrophobicContact CG2-CG 4.13Å; I460-L464 PolarHBondContact O-N 3.32Å
461	V	92.2	Very high	90.3	Very high	11 Å²	11	40 Å²	40	7%	0.067	22%	0.218	C	C	.	.	H	α-helix	trans	-50.6	-41.8	174.8	162.9	0	0	0	0	112.6	W270 D271 K457 S459 R463 L464 R465	W270-V461 VanDerWaalsContact C-CG2 3.49Å; W270-V461 HydrophobicContact CB-CG2 3.55Å; W270-V461 WeakPolarHBondContact O-CG2 3.29Å; D271-V461 HydrophobicContact CB-CG2 4.26Å; D271-V461 VanDerWaalsContact OD2-CG1 3.26Å; D271-V461 WeakPolarHBondContact OD2-CG1 3.27Å; K457-V461 VanDerWaalsContact O-CB 3.32Å; K457-V461 WeakPolarHBondContact O-CB 3.31Å; K457-V461 WeakPolarHBondContact O-CG2 3.48Å; K457-V461 PolarHBondContact O-N 3.01Å; S459-V461 PolarHBondContact O-N 2.96Å; V461-R463 VanDerWaalsContact C-N 3.26Å; V461-R463 PolarHBondContact O-N 3.38Å; V461-L464 PolarHBondContact O-N 2.87Å; V461-R465 PolarHBondContact O-N 2.85Å
462	K	89.5	Confident	90.4	Very high	104 Å²	104	36.9 Å²	36.9	45%	0.452	20%	0.201	S	C	.	.	H	α-helix	trans	-67.4	-28.4	179.1	-64.3	161.3	-169.5	151.9	0	111.8	Q458 S459 I460 S466	Q458-K462 WeakPolarHBondContact O-CD 3.4Å; Q458-K462 WeakPolarHBondContact O-CE 3.46Å; Q458-K462 VanDerWaalsContact O-CG 3.3Å; Q458-K462 WeakPolarHBondContact O-CG 3.33Å; Q458-K462 PolarHBondContact O-NZ 3.11Å; S459-K462 WeakPolarHBondContact O-CB 3.49Å; S459-K462 PolarHBondContact O-N 2.79Å; I460-K462 PolarHBondContact O-N 3.28Å; K462-S466 PolarHBondContact O-OG 2.64Å
463	R	88.9	Confident	90.2	Very high	3 Å²	3	40.4 Å²	40.4	1%	0.011	22%	0.216	C	C	.	.	H	α-helix	trans	-81.1	-40.8	176	-48.6	-41.6	-180	-124.5	3	111.5	A355 P356 N357 F413 S459 I460 V461 R465 S466 K467	A355-R463 HydrophobicContact CB-CB 4.47Å; A355-R463 HydrophobicContact CB-CG 3.95Å; A355-R463 PolarHBondContact O-NE 2.85Å; A355-R463 PolarHBondContact O-NH2 3.34Å; P356-R463 WeakPolarHBondContact O-CD 3.28Å; P356-R463 PolarHBondContact O-NE 2.88Å; N357-R463 PolarHBondContact ND2-NH2 3.03Å; N357-R463 PolarHBondContact OD1-NH1 2.85Å; N357-R463 PolarHBondContact OD1-NH2 3.31Å; F413-R463 WeakPolarHBondContact O-CB 3.24Å; F413-R463 WeakPolarHBondContact O-CG 2.99Å; S459-R463 PolarHBondContact O-N 3.05Å; I460-R463 WeakPolarHBondContact O-CA 3.14Å; I460-R463 WeakPolarHBondContact O-CB 3.09Å; I460-R463 PolarHBondContact O-N 2.97Å; V461-R463 VanDerWaalsContact C-N 3.26Å; V461-R463 PolarHBondContact O-N 3.38Å; R463-R465 VanDerWaalsContact C-N 3.34Å; R463-R465 PolarHBondContact O-N 2.94Å; R463-S466 WeakPolarHBondContact CA-OG 3.32Å; R463-S466 PolarHBondContact O-N 3.06Å; R463-S466 VanDerWaalsContact O-N 3.11Å; R463-S466 PolarHBondContact O-OG 3.44Å; R463-K467 PolarHBondContact O-N 3.24Å
464	L	90.6	Very high	89.9	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.236	C	C	.	.	I	π-helix	trans	-57.7	-47.5	174.2	-63.3	178.4	0	0	0	110.8	W270 F274 Y277 L365 F413 I460 V461 S466 A468 F472	W270-L464 HydrophobicContact CB-CD1 4.41Å; W270-L464 HydrophobicContact CD2-CD1 4.39Å; W270-L464 HydrophobicContact CG-CD1 4Å; F274-L464 HydrophobicContact CB-CD1 4.23Å; F274-L464 HydrophobicContact CD1-CB 3.57Å; F274-L464 HydrophobicContact CD1-CD1 3.95Å; F274-L464 HydrophobicContact CD1-CG 4.38Å; F274-L464 HydrophobicContact CE1-CB 3.72Å; F274-L464 HydrophobicContact CG-CB 4.34Å; F274-L464 HydrophobicContact CG-CD1 4.37Å; Y277-L464 HydrophobicContact CD1-CD1 4.32Å; Y277-L464 HydrophobicContact CD1-CD2 4.05Å; Y277-L464 HydrophobicContact CG-CD1 4.21Å; L365-L464 HydrophobicContact CD1-CD2 4.1Å; F413-L464 HydrophobicContact CD1-CD2 4.22Å; F413-L464 HydrophobicContact CE1-CD2 4.23Å; I460-L464 HydrophobicContact CG2-CD1 4.08Å; I460-L464 HydrophobicContact CG2-CG 4.13Å; I460-L464 PolarHBondContact O-N 3.32Å; V461-L464 PolarHBondContact O-N 2.87Å; L464-S466 PolarHBondContact O-N 2.83Å; L464-A468 HydrophobicContact CD2-CB 4.39Å; L464-A468 WeakPolarHBondContact O-CB 3.37Å; L464-A468 PolarHBondContact O-N 3.41Å; L464-A468 VanDerWaalsContact O-N 3.14Å; L464-F472 HydrophobicContact CD2-CE1 4.2Å; L464-F472 HydrophobicContact CD2-CZ 3.87Å
465	R	89.1	Confident	89.3	Confident	111 Å²	111	42 Å²	42	42%	0.419	22%	0.22	S	C	.	.	I	π-helix	trans	-61.8	-20.7	175.5	-79.7	-167.1	177.1	99.4	5.2	115.8	D271 E273 F274 V461 R463	D271-R465 IonicContact OD1-NH2 3.09Å; D271-R465 IonicContact OD2-CZ 3.85Å; D271-R465 IonicContact OD2-NH1 3.7Å; D271-R465 PolarHBondContact OD2-NH1 3.16Å; D271-R465 IonicContact OD2-NH2 2.89Å; D271-R465 PolarHBondContact OD2-NH2 3.11Å; E273-R465 IonicContact OE2-CZ 3.39Å; E273-R465 VanDerWaalsContact OE2-CZ 3.23Å; E273-R465 IonicContact OE2-NE 3.27Å; E273-R465 PolarHBondContact OE2-NE 2.83Å; E273-R465 IonicContact OE2-NH2 3.23Å; E273-R465 PolarHBondContact OE2-NH2 3.43Å; F274-R465 HydrophobicContact CD2-CG 4.17Å; F274-R465 HydrophobicContact CE1-CG 4.5Å; F274-R465 HydrophobicContact CE2-CG 3.29Å; F274-R465 HydrophobicContact CZ-CB 4.36Å; F274-R465 HydrophobicContact CZ-CG 3.49Å; F274-R465 VanDerWaalsContact CZ-CG 3.49Å; V461-R465 PolarHBondContact O-N 2.85Å; R463-R465 VanDerWaalsContact C-N 3.34Å; R463-R465 PolarHBondContact O-N 2.94Å
466	S	84.6	Confident	88.1	Confident	53 Å²	53	43.5 Å²	43.5	37%	0.371	23%	0.226	S	C	.	.	I	π-helix	trans	-111.8	-29.8	-174.4	52.3	0	0	0	0	114.5	K462 R463 L464	K462-S466 PolarHBondContact O-OG 2.64Å; R463-S466 WeakPolarHBondContact CA-OG 3.32Å; R463-S466 PolarHBondContact O-N 3.06Å; R463-S466 VanDerWaalsContact O-N 3.11Å; R463-S466 PolarHBondContact O-OG 3.44Å; L464-S466 PolarHBondContact O-N 2.83Å
467	K	86.6	Confident	86.5	Confident	11 Å²	11	46.9 Å²	46.9	5%	0.048	25%	0.246	C	C	.	.	I	π-helix	trans	-114.1	-30.9	-175.7	-59.5	-157.1	178.7	-166.7	0	114.2	F361 G363 L365 C366 R463 A469 S470	F361-K467 PolarHBondContact O-NZ 3.44Å; G363-K467 PolarHBondContact O-NZ 3.46Å; L365-K467 WeakPolarHBondContact O-CD 3.3Å; C366-K467 HydrophobicContact CB-CB 4.38Å; C366-K467 PolarHBondContact SG-O 2.57Å; R463-K467 PolarHBondContact O-N 3.24Å; K467-A469 VanDerWaalsContact C-N 3.34Å; K467-A469 PolarHBondContact O-N 2.99Å; K467-S470 WeakPolarHBondContact O-CB 3.31Å; K467-S470 PolarHBondContact O-N 3.44Å; K467-S470 PolarHBondContact O-OG 3.38Å
468	A	88.2	Confident	84.5	Confident	1 Å²	1	49 Å²	49	1%	0.008	26%	0.259	C	S	.	.	I	π-helix	trans	-58.4	-42.7	-167.7	0	0	0	0	0	113.7	Y277 L464 S470 C471 F472	Y277-A468 HydrophobicContact CE1-CB 4.29Å; L464-A468 HydrophobicContact CD2-CB 4.39Å; L464-A468 WeakPolarHBondContact O-CB 3.37Å; L464-A468 PolarHBondContact O-N 3.41Å; L464-A468 VanDerWaalsContact O-N 3.14Å; A468-S470 PolarHBondContact O-N 2.84Å; A468-C471 PolarHBondContact O-N 3.33Å; A468-F472 VanDerWaalsContact CA-CD2 3.43Å; A468-F472 HydrophobicContact CB-CD1 4.29Å; A468-F472 HydrophobicContact CB-CD2 3.69Å; A468-F472 HydrophobicContact CB-CE1 4.5Å; A468-F472 HydrophobicContact CB-CE2 3.87Å; A468-F472 HydrophobicContact CB-CG 3.91Å; A468-F472 HydrophobicContact CB-CZ 4.29Å; A468-F472 WeakPolarHBondContact O-CB 3.23Å; A468-F472 WeakPolarHBondContact O-CD2 3.48Å; A468-F472 PolarHBondContact O-N 2.61Å
469	A	86.9	Confident	82.9	Confident	48 Å²	48	46.7 Å²	46.7	40%	0.397	25%	0.253	S	S	.	.	H	α-helix	trans	-60.6	-8.1	178.5	0	0	0	0	0	115.2	K467	K467-A469 VanDerWaalsContact C-N 3.34Å; K467-A469 PolarHBondContact O-N 2.99Å
470	S	86.8	Confident	81.4	Confident	88 Å²	88	47.2 Å²	47.2	62%	0.615	26%	0.256	S	S	*	.	H	α-helix	trans	-93.8	-24.6	178	71.4	0	0	0	0	114.9	C366 K467 A468	C366-S470 VanDerWaalsContact CB-OG 3.23Å; C366-S470 WeakPolarHBondContact CB-OG 3.38Å; C366-S470 PolarHBondContact SG-OG 3.32Å; K467-S470 WeakPolarHBondContact O-CB 3.31Å; K467-S470 PolarHBondContact O-N 3.44Å; K467-S470 PolarHBondContact O-OG 3.38Å; A468-S470 PolarHBondContact O-N 2.84Å
471	C	90.3	Very high	79.6	Confident	30 Å²	30	47.4 Å²	47.4	20%	0.203	26%	0.258	C	S	.	.	H	α-helix	trans	-143.5	-6.5	-176.5	81.8	0	0	0	0	116.5	C334 C366 A468	C334-C471 VanDerWaalsContact CA-SG 3.56Å; C334-C471 WeakPolarHBondContact CB-SG 3.27Å; C334-C471 PolarHBondContact SG-SG 2.03Å; C366-C471 WeakPolarHBondContact CA-SG 3.19Å; C366-C471 HydrophobicContact CB-CB 3.72Å; C366-C471 WeakPolarHBondContact CB-SG 3.48Å; C366-C471 WeakPolarHBondContact SG-CB 3.42Å; C366-C471 CovalentContact SG-SG 2.03Å; C366-C471 PolarHBondContact SG-SG 2.81Å; A468-C471 PolarHBondContact O-N 3.33Å
472	F	92.9	Very high	77.5	Confident	11 Å²	11	47.7 Å²	47.7	5%	0.048	26%	0.26	C	S	.	.			trans	-76.8	144.2	176.4	-75.9	-127.2	0	0	0	110.8	K225 T227 C228 Y277 L365 F413 L464 A468	K225-F472 HydrophobicContact CB-CB 4.41Å; K225-F472 VanDerWaalsContact O-CB 3.29Å; K225-F472 WeakPolarHBondContact O-CB 3.49Å; T227-F472 CarbonylContact O-C 3.51Å; T227-F472 WeakPolarHBondContact O-CA 3.42Å; C228-F472 HydrophobicContact CB-CD1 4.28Å; C228-F472 HydrophobicContact CB-CE1 3.78Å; C228-F472 HydrophobicContact CB-CE2 4.16Å; C228-F472 HydrophobicContact CB-CZ 3.73Å; Y277-F472 AromaticContact CD1-CD1 3.92Å; Y277-F472 HydrophobicContact CD1-CD1 3.92Å; Y277-F472 AromaticContact CD1-CE1 3.76Å; Y277-F472 HydrophobicContact CD1-CE1 3.76Å; Y277-F472 HydrophobicContact CE1-CD1 4.16Å; Y277-F472 HydrophobicContact CE1-CE1 4.38Å; L365-F472 HydrophobicContact CD1-CE2 4.27Å; L365-F472 HydrophobicContact CD1-CZ 4.13Å; L365-F472 HydrophobicContact CD2-CE2 3.85Å; L365-F472 HydrophobicContact CD2-CZ 3.85Å; F413-F472 HydrophobicContact CE1-CZ 4.3Å; F413-F472 HydrophobicContact CZ-CZ 4.39Å; L464-F472 HydrophobicContact CD2-CE1 4.2Å; L464-F472 HydrophobicContact CD2-CZ 3.87Å; A468-F472 VanDerWaalsContact CA-CD2 3.43Å; A468-F472 HydrophobicContact CB-CD1 4.29Å; A468-F472 HydrophobicContact CB-CD2 3.69Å; A468-F472 HydrophobicContact CB-CE1 4.5Å; A468-F472 HydrophobicContact CB-CE2 3.87Å; A468-F472 HydrophobicContact CB-CG 3.91Å; A468-F472 HydrophobicContact CB-CZ 4.29Å; A468-F472 WeakPolarHBondContact O-CB 3.23Å; A468-F472 WeakPolarHBondContact O-CD2 3.48Å; A468-F472 PolarHBondContact O-N 2.61Å
473	K	89.5	Confident	76	Confident	77 Å²	77	43.8 Å²	43.8	34%	0.335	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-109.1	157.5	179.1	-65.4	175.5	178	171.4	0	110	K225 N226 T227 P229 Q282	K225-K473 CarbonylContact C-O 3.56Å; K225-K473 VanDerWaalsContact CA-O 3.3Å; K225-K473 WeakPolarHBondContact CA-O 3.35Å; N226-K473 PolarHBondContact N-O 3.23Å; T227-K473 PolarHBondContact N-O 3.04Å; T227-K473 VanDerWaalsContact N-O 3.16Å; T227-K473 PolarHBondContact O-N 3.12Å; P229-K473 HydrophobicContact CB-CD 4.33Å; P229-K473 HydrophobicContact CG-CD 3.94Å; P229-K473 HydrophobicContact CG-CG 4.32Å; Q282-K473 VanDerWaalsContact CD-NZ 3.28Å
474	E	86.5	Confident	74.5	Confident	89 Å²	89	51.6 Å²	51.6	42%	0.416	28%	0.275	S	S	.	.			trans	-66.8	135.4	165.4	-175.5	160.2	-157.4	0	0	107.9	K224 K225	K224-E474 HydrophobicContact CB-CG 4.09Å; K224-E474 IonicContact NZ-OE1 2.66Å; K224-E474 PolarHBondContact NZ-OE1 3.01Å; K224-E474 IonicContact NZ-OE2 3.98Å; K224-E474 WeakPolarHBondContact O-CA 3.05Å; K225-E474 HydrophobicContact CG-CB 4.37Å
475	R	79.1	Confident	73.4	Confident	33 Å²	33	54.4 Å²	54.4	13%	0.125	29%	0.292	C	S	.	.			trans	-74.5	152.9	176.7	-167.5	-176.3	-164.2	-119.2	9.7	108.6	E89 T227 D262 R266 V477	E89-R475 IonicContact OE2-CZ 3.33Å; E89-R475 IonicContact OE2-NH1 3.38Å; E89-R475 PolarHBondContact OE2-NH1 3.41Å; E89-R475 IonicContact OE2-NH2 3.07Å; E89-R475 PolarHBondContact OE2-NH2 3.07Å; T227-R475 WeakPolarHBondContact OG1-CB 3.47Å; D262-R475 IonicContact OD2-NH2 2.67Å; R266-R475 VanDerWaalsContact CZ-NE 3.28Å; R475-V477 VanDerWaalsContact C-N 3.33Å; R475-V477 HydrophobicContact CB-CG2 3.61Å; R475-V477 HydrophobicContact CG-CG2 4.07Å; R475-V477 WeakPolarHBondContact O-CG2 3.33Å; R475-V477 PolarHBondContact O-N 3Å
476	N	66.6	Low	72.2	Confident	59 Å²	59	51.2 Å²	51.2	32%	0.316	28%	0.282	S	S	.	.			trans	-73.8	89.5	167.6	-60.8	-5.4	0	0	0	108	E93	E93-N476 VanDerWaalsContact CG-ND2 3.35Å; E93-N476 WeakPolarHBondContact CG-ND2 3.29Å
477	V	59.7	Low	70.6	Confident	72 Å²	72	57.9 Å²	57.9	44%	0.436	31%	0.307	S	S	.	.			trans	-111.9	160.2	-178.8	-149	0	0	0	0	110.6	R475	R475-V477 VanDerWaalsContact C-N 3.33Å; R475-V477 HydrophobicContact CB-CG2 3.61Å; R475-V477 HydrophobicContact CG-CG2 4.07Å; R475-V477 WeakPolarHBondContact O-CG2 3.33Å; R475-V477 PolarHBondContact O-N 3Å
478	N	52	Low	69.6	Low	92 Å²	92	59.5 Å²	59.5	49%	0.492	33%	0.327	S	S	.	.			trans	71.1	81.3	178.4	-53.6	24.7	0	0	0	112
479	V	57.2	Low	69.2	Low	63 Å²	63	61 Å²	61	38%	0.382	33%	0.334	S	S	.	.			trans	-113	88.6	169	-175.2	0	0	0	0	108.7	N482	V479-N482 WeakPolarHBondContact O-CB 3.3Å; V479-N482 PolarHBondContact O-ND2 2.92Å
480	C	59.6	Low	69.1	Low	35 Å²	35	63 Å²	63	24%	0.236	34%	0.335	C	S	.	.	S	Bend	trans	-57.2	135.6	173.6	173.2	0	0	0	0	111.3	Q506 C508	C480-Q506 PolarHBondContact SG-O 2.57Å; C480-C508 WeakPolarHBondContact CA-SG 3.45Å; C480-C508 HydrophobicContact CB-CB 3.8Å; C480-C508 WeakPolarHBondContact CB-SG 3.48Å; C480-C508 WeakPolarHBondContact SG-CB 3.28Å; C480-C508 PolarHBondContact SG-N 3.5Å; C480-C508 CovalentContact SG-SG 2.02Å; C480-C508 PolarHBondContact SG-SG 2.85Å
481	G	54	Low	68.7	Low	5 Å²	5	58.9 Å²	58.9	5%	0.052	31%	0.306	C	S	.	.	S	Bend	trans	102.8	20.2	-173	0	0	0	0	0	113.4	D492 G494 L495	G481-D492 VanDerWaalsContact C-OD1 3.22Å; G481-D492 WeakPolarHBondContact CA-OD1 3.07Å; G481-D492 WeakPolarHBondContact CA-OD2 3.5Å; G481-D492 VanDerWaalsContact N-CG 3.34Å; G481-D492 PolarHBondContact N-OD1 3.3Å; G481-D492 PolarHBondContact N-OD2 2.76Å; G481-G494 CarbonylContact O-C 3.58Å; G481-G494 WeakPolarHBondContact O-CA 3.43Å; G481-L495 WeakPolarHBondContact O-CB 3.29Å; G481-L495 PolarHBondContact O-N 2.8Å
482	N	50	Low	68.1	Low	17 Å²	17	57.4 Å²	57.4	9%	0.091	30%	0.296	C	S	.	.	S	Bend	trans	-102.2	2.8	-177.9	80.7	40.2	0	0	0	114.3	R85 V479 R484 E486 D492	R85-N482 WeakPolarHBondContact CD-O 3.38Å; R85-N482 VanDerWaalsContact CZ-CG 3.5Å; R85-N482 PolarHBondContact NH1-O 2.87Å; R85-N482 PolarHBondContact NH1-OD1 3.29Å; V479-N482 WeakPolarHBondContact O-CB 3.3Å; V479-N482 PolarHBondContact O-ND2 2.92Å; N482-R484 VanDerWaalsContact C-N 3.32Å; N482-R484 PolarHBondContact O-N 3.05Å; N482-R484 WeakPolarHBondContact OD1-CB 3.38Å; N482-R484 PolarHBondContact OD1-N 2.99Å; N482-R484 PolarHBondContact OD1-O 3.33Å; N482-R484 VanDerWaalsContact OD1-O 3.12Å; N482-E486 PolarHBondContact ND2-OE1 2.83Å; N482-D492 VanDerWaalsContact N-CG 3.27Å; N482-D492 PolarHBondContact N-OD1 2.83Å; N482-D492 PolarHBondContact N-OD2 3.08Å
483	S	57.1	Low	67.1	Low	21 Å²	21	56.9 Å²	56.9	15%	0.147	29%	0.294	C	S	.	.	S	Bend	trans	65.8	9.4	-175.7	-54	0	0	0	0	117.2	Y83 D492 G494 R519 N520	Y83-S483 PolarHBondContact OH-OG 3.49Å; S483-D492 WeakPolarHBondContact CA-OD1 3.11Å; S483-D492 PolarHBondContact N-OD1 3.15Å; S483-D492 PolarHBondContact N-OD2 2.97Å; S483-G494 WeakPolarHBondContact OG-CA 3.46Å; S483-R519 PolarHBondContact OG-NH2 3.05Å; S483-N520 PolarHBondContact O-ND2 3.48Å
484	R	58.3	Low	65.5	Low	167 Å²	167	53.2 Å²	53.2	63%	0.63	28%	0.278	S	S	*	.	S	Bend	trans	-123.8	129.6	174.7	-179	-176.7	-175.1	147.6	6.1	109.7	N482 E486	N482-R484 VanDerWaalsContact C-N 3.32Å; N482-R484 PolarHBondContact O-N 3.05Å; N482-R484 WeakPolarHBondContact OD1-CB 3.38Å; N482-R484 PolarHBondContact OD1-N 2.99Å; N482-R484 PolarHBondContact OD1-O 3.33Å; N482-R484 VanDerWaalsContact OD1-O 3.12Å; R484-E486 PolarHBondContact O-N 3.36Å
485	V	67.3	Low	63.6	Low	60 Å²	60	50.1 Å²	50.1	36%	0.364	26%	0.264	S	S	.	.			trans	-70.9	117.4	175.8	-163.2	0	0	0	0	109.6	E489 N520	V485-E489 HydrophobicContact CG1-CB 3.81Å; V485-N520 HydrophobicContact CG2-CB 3.77Å
486	E	63.7	Low	61.9	Low	44 Å²	44	50.6 Å²	50.6	21%	0.206	27%	0.269	C	S	.	.			trans	-106.7	175	179.6	-72.8	173	-160.7	0	0	111.9	R85 N482 R484 G488 E489	R85-E486 IonicContact NH2-OE1 3.23Å; R85-E486 PolarHBondContact NH2-OE1 3.35Å; N482-E486 PolarHBondContact ND2-OE1 2.83Å; R484-E486 PolarHBondContact O-N 3.36Å; E486-G488 PolarHBondContact O-N 3.26Å; E486-E489 PolarHBondContact N-OE2 2.87Å; E486-E489 PolarHBondContact O-N 2.99Å
487	Q	50.9	Low	61.4	Low	192 Å²	192	51.1 Å²	51.1	90%	0.897	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	96.5	-167.2	-168.2	178.8	24.9	0	0	112.5
488	G	65.6	Low	61	Low	46 Å²	46	50.5 Å²	50.5	47%	0.474	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	133.4	-12.5	-178.4	0	0	0	0	0	113.4	E486 R509	E486-G488 PolarHBondContact O-N 3.26Å; G488-R509 PolarHBondContact O-NH2 2.92Å
489	E	80.3	Confident	61.1	Low	31 Å²	31	51 Å²	51	15%	0.145	26%	0.263	C	S	.	.			trans	-95.6	162.3	179.4	-61.5	175.2	158.3	0	0	111.5	V485 E486 C508	V485-E489 HydrophobicContact CG1-CB 3.81Å; E486-E489 PolarHBondContact N-OE2 2.87Å; E486-E489 PolarHBondContact O-N 2.99Å; E489-C508 HydrophobicContact CB-CB 3.9Å; E489-C508 HydrophobicContact CG-CB 3.59Å
490	E	83.4	Confident	61.6	Low	92 Å²	92	51.4 Å²	51.4	43%	0.43	27%	0.269	S	S	.	.	S	Bend	trans	-110.8	-22.1	175.6	-65.3	159.2	-167.5	0	0	112.1	C508 R509 L510	E490-C508 PolarHBondContact N-O 3.13Å; E490-R509 WeakPolarHBondContact OE1-CD 3.31Å; E490-R509 IonicContact OE1-CZ 3.82Å; E490-R509 IonicContact OE1-NE 2.68Å; E490-R509 IonicContact OE1-NH1 2.64Å; E490-R509 PolarHBondContact OE1-NH1 2.76Å; E490-R509 WeakPolarHBondContact OE2-CA 3.3Å; E490-R509 WeakPolarHBondContact OE2-CD 3.45Å; E490-L510 HydrophobicContact CB-CD1 4.26Å; E490-L510 HydrophobicContact CB-CG 3.99Å; E490-L510 PolarHBondContact OE2-N 3.29Å
491	C	79.9	Confident	62.4	Low	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.261	C	S	.	.			trans	-165.6	164.8	177.8	56.4	0	0	0	0	108.2	C504 C508 R509 L510	C491-C504 HydrophobicContact CB-CB 3.75Å; C491-C504 WeakPolarHBondContact CB-SG 3.41Å; C491-C504 PolarHBondContact O-SG 3.35Å; C491-C504 WeakPolarHBondContact SG-CA 3.3Å; C491-C504 WeakPolarHBondContact SG-CB 3.5Å; C491-C504 CovalentContact SG-SG 2.03Å; C491-C504 PolarHBondContact SG-SG 2.84Å; C491-C508 CarbonylContact O-C 3.6Å; C491-C508 VanDerWaalsContact O-CA 3.24Å; C491-C508 WeakPolarHBondContact O-CA 3.43Å; C491-C508 WeakPolarHBondContact O-CB 3.47Å; C491-C508 PolarHBondContact O-SG 3.42Å; C491-R509 PolarHBondContact SG-O 3.06Å; C491-L510 HydrophobicContact CB-CD2 3.84Å; C491-L510 HydrophobicContact CB-CG 4.32Å
492	D	76.4	Confident	63.8	Low	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.292	C	S	.	.			trans	-132.3	122.4	169.3	-175.8	-51.6	0	0	0	110.1	G481 N482 S483 G494 N520	G481-D492 VanDerWaalsContact C-OD1 3.22Å; G481-D492 WeakPolarHBondContact CA-OD1 3.07Å; G481-D492 WeakPolarHBondContact CA-OD2 3.5Å; G481-D492 VanDerWaalsContact N-CG 3.34Å; G481-D492 PolarHBondContact N-OD1 3.3Å; G481-D492 PolarHBondContact N-OD2 2.76Å; N482-D492 VanDerWaalsContact N-CG 3.27Å; N482-D492 PolarHBondContact N-OD1 2.83Å; N482-D492 PolarHBondContact N-OD2 3.08Å; S483-D492 WeakPolarHBondContact CA-OD1 3.11Å; S483-D492 PolarHBondContact N-OD1 3.15Å; S483-D492 PolarHBondContact N-OD2 2.97Å; D492-G494 VanDerWaalsContact C-N 3.3Å; D492-G494 PolarHBondContact O-N 2.74Å; D492-G494 WeakPolarHBondContact OD1-CA 3.42Å; D492-G494 PolarHBondContact OD1-N 3.37Å; D492-N520 PolarHBondContact N-OD1 3.49Å; D492-N520 PolarHBondContact O-ND2 2.82Å; D492-N520 PolarHBondContact O-OD1 3.13Å; D492-N520 VanDerWaalsContact O-OD1 3.13Å
493	P	72.1	Confident	65.7	Low	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.288	C	S	.	.			trans	-74	-17.4	-175.6	33.4	-37.1	0	0	0	113.4	H497 F498 D501 C504 T505 R519	P493-H497 WeakPolarHBondContact O-CB 3.43Å; P493-F498 HydrophobicContact CG-CD2 4.09Å; P493-D501 HydrophobicContact CB-CB 3.78Å; P493-C504 HydrophobicContact CB-CB 4.14Å; P493-T505 WeakPolarHBondContact CG-O 3.31Å; P493-R519 WeakPolarHBondContact O-CD 3.44Å; P493-R519 PolarHBondContact O-NE 3.43Å
494	G	56.1	Low	67.2	Low	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.281	C	S	.	.			trans	70.7	147.1	-163.1	0	0	0	0	0	112.8	G481 S483 D492 L496 H497 F498	G481-G494 CarbonylContact O-C 3.58Å; G481-G494 WeakPolarHBondContact O-CA 3.43Å; S483-G494 WeakPolarHBondContact OG-CA 3.46Å; D492-G494 VanDerWaalsContact C-N 3.3Å; D492-G494 PolarHBondContact O-N 2.74Å; D492-G494 WeakPolarHBondContact OD1-CA 3.42Å; D492-G494 PolarHBondContact OD1-N 3.37Å; G494-L496 PolarHBondContact O-N 3.13Å; G494-H497 CarbonylContact O-C 3.53Å; G494-H497 PolarHBondContact O-N 3.18Å; G494-F498 PolarHBondContact O-N 3.16Å
495	L	46.6	Very low	68.4	Low	24 Å²	24	50.7 Å²	50.7	13%	0.126	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-29.9	-175	-162.2	112.7	0	0	0	112.7	R58 H66 E68 G481	R58-L495 PolarHBondContact NH1-O 3.4Å; H66-L495 HydrophobicContact CB-CD1 3.72Å; H66-L495 HydrophobicContact CB-CD2 3.73Å; H66-L495 HydrophobicContact CB-CG 4.19Å; E68-L495 PolarHBondContact OE1-N 3.38Å; G481-L495 WeakPolarHBondContact O-CB 3.29Å; G481-L495 PolarHBondContact O-N 2.8Å
496	L	43.3	Very low	68.6	Low	42 Å²	42	52.3 Å²	52.3	22%	0.22	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-34.9	170.8	-70.5	-176.9	0	0	0	113.6	V56 R58 E68 G494	V56-L496 HydrophobicContact CB-CD1 3.92Å; V56-L496 HydrophobicContact CB-CD2 4.08Å; V56-L496 HydrophobicContact CG1-CD1 3.79Å; V56-L496 HydrophobicContact CG1-CD2 3.56Å; V56-L496 HydrophobicContact CG1-CG 4.35Å; V56-L496 HydrophobicContact CG2-CD1 4.41Å; R58-L496 HydrophobicContact CG-CD2 4.19Å; E68-L496 HydrophobicContact CB-CD1 4.21Å; E68-L496 HydrophobicContact CB-CG 4.45Å; E68-L496 HydrophobicContact CG-CG 4.41Å; E68-L496 WeakPolarHBondContact OE1-CG 3.17Å; E68-L496 PolarHBondContact OE1-N 3.49Å; E68-L496 WeakPolarHBondContact OE2-CD1 3.35Å; E68-L496 WeakPolarHBondContact OE2-CG 3.47Å; G494-L496 PolarHBondContact O-N 3.13Å
497	H	56.7	Low	69.3	Low	70 Å²	70	56.4 Å²	56.4	32%	0.324	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	9.5	-175.7	-58.8	-82.2	0	0	0	114.8	P493 G494 N499 S500 D501 R519	P493-H497 WeakPolarHBondContact O-CB 3.43Å; G494-H497 CarbonylContact O-C 3.53Å; G494-H497 PolarHBondContact O-N 3.18Å; H497-N499 PolarHBondContact O-N 3.46Å; H497-S500 WeakPolarHBondContact CA-OG 3.12Å; H497-S500 WeakPolarHBondContact CB-OG 3.21Å; H497-S500 PolarHBondContact ND1-OG 2.88Å; H497-S500 PolarHBondContact O-N 2.81Å; H497-D501 HydrophobicContact CB-CB 4.16Å; H497-D501 WeakPolarHBondContact O-CB 3.47Å; H497-D501 PolarHBondContact O-N 2.87Å; H497-R519 PolarHBondContact CD2-NH1 3.27Å
498	F	50.2	Low	70.6	Confident	59 Å²	59	47.2 Å²	47.2	26%	0.259	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-39.2	-33.8	173.5	-159	-109.3	0	0	0	115.3	P493 G494 Q506	P493-F498 HydrophobicContact CG-CD2 4.09Å; G494-F498 PolarHBondContact O-N 3.16Å; F498-Q506 HydrophobicContact CD1-CB 4.3Å; F498-Q506 HydrophobicContact CD1-CG 3.66Å; F498-Q506 HydrophobicContact CD2-CG 4.46Å; F498-Q506 HydrophobicContact CE1-CB 3.71Å; F498-Q506 HydrophobicContact CE1-CG 3.49Å; F498-Q506 VanDerWaalsContact CE1-CG 3.49Å; F498-Q506 HydrophobicContact CE2-CB 3.99Å; F498-Q506 HydrophobicContact CE2-CG 4.33Å; F498-Q506 VanDerWaalsContact CE2-O 3.24Å; F498-Q506 WeakPolarHBondContact CE2-O 3.45Å; F498-Q506 HydrophobicContact CG-CG 4.15Å; F498-Q506 HydrophobicContact CZ-CB 3.54Å; F498-Q506 HydrophobicContact CZ-CG 3.86Å; F498-Q506 WeakPolarHBondContact CZ-O 3.49Å; F498-Q506 VanDerWaalsContact O-CG 3.27Å; F498-Q506 WeakPolarHBondContact O-CG 3.4Å
499	N	55.1	Low	71.7	Confident	103 Å²	103	50.3 Å²	50.3	55%	0.551	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-9.6	178.6	-63.6	6.3	0	0	0	114.5	H497 Q506	H497-N499 PolarHBondContact O-N 3.46Å; N499-Q506 PolarHBondContact OD1-NE2 3.1Å
500	S	66.8	Low	72.2	Confident	71 Å²	71	51 Å²	51	50%	0.497	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-15.6	-169.5	67.8	0	0	0	0	114.7	H497 R502	H497-S500 WeakPolarHBondContact CA-OG 3.12Å; H497-S500 WeakPolarHBondContact CB-OG 3.21Å; H497-S500 PolarHBondContact ND1-OG 2.88Å; H497-S500 PolarHBondContact O-N 2.81Å; S500-R502 PolarHBondContact O-N 2.95Å
501	D	76.3	Confident	72.5	Confident	14 Å²	14	50 Å²	50	8%	0.075	24%	0.24	C	C	.	.			trans	-58.3	135.9	175.5	-166.6	-78.8	0	0	0	109.2	P493 H497 C503 C504 K511 R519	P493-D501 HydrophobicContact CB-CB 3.78Å; H497-D501 HydrophobicContact CB-CB 4.16Å; H497-D501 WeakPolarHBondContact O-CB 3.47Å; H497-D501 PolarHBondContact O-N 2.87Å; D501-C503 WeakPolarHBondContact OD1-CA 3.28Å; D501-C503 WeakPolarHBondContact OD1-CB 3.44Å; D501-C503 PolarHBondContact OD1-N 3.19Å; D501-C504 PolarHBondContact OD1-N 3.14Å; D501-K511 PolarHBondContact O-NZ 3.45Å; D501-R519 WeakPolarHBondContact OD2-CD 3.32Å; D501-R519 WeakPolarHBondContact OD2-CG 3.3Å
502	R	84.3	Confident	72.9	Confident	183 Å²	183	58.5 Å²	58.5	69%	0.691	29%	0.285	S	S	*	.	S	Bend	trans	-87.4	-18.3	-172.2	-55.4	-175.9	77.2	-169.7	1.9	111.7	S500 D526	S500-R502 PolarHBondContact O-N 2.95Å; R502-D526 IonicContact NH1-OD1 3.71Å
503	C	89.5	Confident	73.4	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.007	32%	0.319	C	S	.	.	S	Bend	trans	-113.6	-30.2	-165.6	-43.9	0	0	0	0	112.3	D501 K511 A514 C516 C527	D501-C503 WeakPolarHBondContact OD1-CA 3.28Å; D501-C503 WeakPolarHBondContact OD1-CB 3.44Å; D501-C503 PolarHBondContact OD1-N 3.19Å; C503-K511 PolarHBondContact O-N 2.91Å; C503-A514 HydrophobicContact CB-CB 4.21Å; C503-A514 WeakPolarHBondContact O-CB 3.33Å; C503-C516 VanDerWaalsContact CB-O 3.32Å; C503-C516 WeakPolarHBondContact CB-O 3.5Å; C503-C527 WeakPolarHBondContact CA-SG 3.23Å; C503-C527 HydrophobicContact CB-CB 3.6Å; C503-C527 WeakPolarHBondContact CB-SG 3.45Å; C503-C527 PolarHBondContact N-SG 2.88Å; C503-C527 VanDerWaalsContact N-SG 3.37Å; C503-C527 WeakPolarHBondContact SG-CA 3.23Å; C503-C527 WeakPolarHBondContact SG-CB 3.4Å; C503-C527 CovalentContact SG-SG 2.04Å; C503-C527 PolarHBondContact SG-SG 2.97Å
504	C	87.8	Confident	74.3	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-118.4	147.1	-173	-159.2	0	0	0	0	113.6	C491 P493 D501 K511	C491-C504 HydrophobicContact CB-CB 3.75Å; C491-C504 WeakPolarHBondContact CB-SG 3.41Å; C491-C504 PolarHBondContact O-SG 3.35Å; C491-C504 WeakPolarHBondContact SG-CA 3.3Å; C491-C504 WeakPolarHBondContact SG-CB 3.5Å; C491-C504 CovalentContact SG-SG 2.03Å; C491-C504 PolarHBondContact SG-SG 2.84Å; P493-C504 HydrophobicContact CB-CB 4.14Å; D501-C504 PolarHBondContact OD1-N 3.14Å; C504-K511 WeakPolarHBondContact O-CD 3.31Å; C504-K511 WeakPolarHBondContact O-CE 3.22Å; C504-K511 PolarHBondContact O-NZ 3.12Å
505	T	83.3	Confident	76	Confident	32 Å²	32	67 Å²	67	20%	0.196	35%	0.346	C	S	.	.			trans	-90.4	175.2	176.9	67.5	0	0	0	0	112.8	P493 D507 C508 R509 K511	P493-T505 WeakPolarHBondContact CG-O 3.31Å; T505-D507 PolarHBondContact O-N 2.85Å; T505-D507 PolarHBondContact OG1-N 2.97Å; T505-C508 PolarHBondContact O-N 2.84Å; T505-R509 WeakPolarHBondContact CB-O 3.44Å; T505-R509 WeakPolarHBondContact CG2-O 3.46Å; T505-R509 PolarHBondContact N-O 2.88Å; T505-R509 WeakPolarHBondContact OG1-CB 3.5Å; T505-R509 PolarHBondContact OG1-N 2.8Å; T505-R509 VanDerWaalsContact OG1-N 3.08Å; T505-R509 PolarHBondContact OG1-O 2.96Å; T505-K511 HydrophobicContact CG2-CG 3.61Å
506	Q	73.3	Confident	78	Confident	95 Å²	95	66 Å²	66	44%	0.444	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-18.6	174.4	-68.4	-179.5	-18	0	0	113.4	C480 F498 N499	C480-Q506 PolarHBondContact SG-O 2.57Å; F498-Q506 HydrophobicContact CD1-CB 4.3Å; F498-Q506 HydrophobicContact CD1-CG 3.66Å; F498-Q506 HydrophobicContact CD2-CG 4.46Å; F498-Q506 HydrophobicContact CE1-CB 3.71Å; F498-Q506 HydrophobicContact CE1-CG 3.49Å; F498-Q506 VanDerWaalsContact CE1-CG 3.49Å; F498-Q506 HydrophobicContact CE2-CB 3.99Å; F498-Q506 HydrophobicContact CE2-CG 4.33Å; F498-Q506 VanDerWaalsContact CE2-O 3.24Å; F498-Q506 WeakPolarHBondContact CE2-O 3.45Å; F498-Q506 HydrophobicContact CG-CG 4.15Å; F498-Q506 HydrophobicContact CZ-CB 3.54Å; F498-Q506 HydrophobicContact CZ-CG 3.86Å; F498-Q506 WeakPolarHBondContact CZ-O 3.49Å; F498-Q506 VanDerWaalsContact O-CG 3.27Å; F498-Q506 WeakPolarHBondContact O-CG 3.4Å; N499-Q506 PolarHBondContact OD1-NE2 3.1Å
507	D	76.6	Confident	80.1	Confident	129 Å²	129	64.2 Å²	64.2	69%	0.69	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	19.3	-179.3	-50.3	-74.5	0	0	0	112	T505 R509	T505-D507 PolarHBondContact O-N 2.85Å; T505-D507 PolarHBondContact OG1-N 2.97Å; D507-R509 VanDerWaalsContact C-N 3.27Å; D507-R509 PolarHBondContact O-N 3.42Å
508	C	79.8	Confident	81.3	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.333	C	S	.	.	S	Bend	trans	54.3	39.4	-179.7	-74.1	0	0	0	0	114.2	C480 E489 E490 C491 T505	C480-C508 WeakPolarHBondContact CA-SG 3.45Å; C480-C508 HydrophobicContact CB-CB 3.8Å; C480-C508 WeakPolarHBondContact CB-SG 3.48Å; C480-C508 WeakPolarHBondContact SG-CB 3.28Å; C480-C508 PolarHBondContact SG-N 3.5Å; C480-C508 CovalentContact SG-SG 2.02Å; C480-C508 PolarHBondContact SG-SG 2.85Å; E489-C508 HydrophobicContact CB-CB 3.9Å; E489-C508 HydrophobicContact CG-CB 3.59Å; E490-C508 PolarHBondContact N-O 3.13Å; C491-C508 CarbonylContact O-C 3.6Å; C491-C508 VanDerWaalsContact O-CA 3.24Å; C491-C508 WeakPolarHBondContact O-CA 3.43Å; C491-C508 WeakPolarHBondContact O-CB 3.47Å; C491-C508 PolarHBondContact O-SG 3.42Å; T505-C508 PolarHBondContact O-N 2.84Å
509	R	88.3	Confident	82.4	Confident	111 Å²	111	64.9 Å²	64.9	42%	0.419	34%	0.335	S	S	.	.			trans	-108.9	150.2	169.5	-61.1	-70.3	165	-163.9	-19.2	110.5	G488 E490 C491 T505 D507	G488-R509 PolarHBondContact O-NH2 2.92Å; E490-R509 WeakPolarHBondContact OE1-CD 3.31Å; E490-R509 IonicContact OE1-CZ 3.82Å; E490-R509 IonicContact OE1-NE 2.68Å; E490-R509 IonicContact OE1-NH1 2.64Å; E490-R509 PolarHBondContact OE1-NH1 2.76Å; E490-R509 WeakPolarHBondContact OE2-CA 3.3Å; E490-R509 WeakPolarHBondContact OE2-CD 3.45Å; C491-R509 PolarHBondContact SG-O 3.06Å; T505-R509 WeakPolarHBondContact CB-O 3.44Å; T505-R509 WeakPolarHBondContact CG2-O 3.46Å; T505-R509 PolarHBondContact N-O 2.88Å; T505-R509 WeakPolarHBondContact OG1-CB 3.5Å; T505-R509 PolarHBondContact OG1-N 2.8Å; T505-R509 VanDerWaalsContact OG1-N 3.08Å; T505-R509 PolarHBondContact OG1-O 2.96Å; D507-R509 VanDerWaalsContact C-N 3.27Å; D507-R509 PolarHBondContact O-N 3.42Å
510	L	90.3	Very high	83.4	Confident	46 Å²	46	62.2 Å²	62.2	24%	0.241	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-66.6	146	171.1	-73.9	166.9	0	0	0	110	E490 C491 A514	E490-L510 HydrophobicContact CB-CD1 4.26Å; E490-L510 HydrophobicContact CB-CG 3.99Å; E490-L510 PolarHBondContact OE2-N 3.29Å; C491-L510 HydrophobicContact CB-CD2 3.84Å; C491-L510 HydrophobicContact CB-CG 4.32Å; L510-A514 HydrophobicContact CB-CB 4.46Å; L510-A514 HydrophobicContact CD2-CB 4.17Å
511	K	90.3	Very high	84.2	Confident	70 Å²	70	59.7 Å²	59.7	30%	0.304	30%	0.303	S	S	.	.			trans	-76.4	153.1	175.3	-80.6	171.3	162.9	140.9	0	110.6	D501 C503 C504 T505 G513 A514	D501-K511 PolarHBondContact O-NZ 3.45Å; C503-K511 PolarHBondContact O-N 2.91Å; C504-K511 WeakPolarHBondContact O-CD 3.31Å; C504-K511 WeakPolarHBondContact O-CE 3.22Å; C504-K511 PolarHBondContact O-NZ 3.12Å; T505-K511 HydrophobicContact CG2-CG 3.61Å; K511-G513 PolarHBondContact O-N 2.95Å; K511-A514 HydrophobicContact CB-CB 4.48Å; K511-A514 WeakPolarHBondContact O-CB 3.46Å; K511-A514 PolarHBondContact O-N 2.94Å
512	D	88.9	Confident	84.4	Confident	178 Å²	178	62 Å²	62	95%	0.952	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	111.4	176.9	-72.9	-38.7	0	0	0	111.6
513	G	85.6	Confident	84.6	Confident	68 Å²	68	53.3 Å²	53.3	70%	0.701	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.3	5.7	-179	0	0	0	0	0	116.2	K511	K511-G513 PolarHBondContact O-N 2.95Å
514	A	91.4	Very high	84.5	Confident	17 Å²	17	53.8 Å²	53.8	14%	0.14	30%	0.295	C	S	.	.			trans	-87.6	134.4	164.4	0	0	0	0	0	110.4	C503 L510 K511 C527	C503-A514 HydrophobicContact CB-CB 4.21Å; C503-A514 WeakPolarHBondContact O-CB 3.33Å; L510-A514 HydrophobicContact CB-CB 4.46Å; L510-A514 HydrophobicContact CD2-CB 4.17Å; K511-A514 HydrophobicContact CB-CB 4.48Å; K511-A514 WeakPolarHBondContact O-CB 3.46Å; K511-A514 PolarHBondContact O-N 2.94Å; A514-C527 HydrophobicContact CB-CB 3.83Å
515	E	91.6	Very high	84.6	Confident	93 Å²	93	59.2 Å²	59.2	44%	0.435	32%	0.318	S	S	.	.	S	Bend	trans	-99.8	-20.8	177.3	-66.5	166.6	-167	0	0	111.5	C527 F529	E515-C527 PolarHBondContact N-O 3.26Å; E515-F529 HydrophobicContact CB-CD2 4.3Å; E515-F529 HydrophobicContact CB-CE1 4.49Å; E515-F529 HydrophobicContact CB-CE2 3.91Å; E515-F529 HydrophobicContact CB-CZ 4.02Å; E515-F529 WeakPolarHBondContact O-CE1 3.38Å; E515-F529 WeakPolarHBondContact O-CZ 3.4Å
516	C	88.7	Confident	84.9	Confident	3 Å²	3	62.8 Å²	62.8	2%	0.02	34%	0.336	C	S	.	.	S	Bend	trans	-160.5	178.3	177.3	56.8	0	0	0	0	110.9	C503 C524 C527 R528 F529	C503-C516 VanDerWaalsContact CB-O 3.32Å; C503-C516 WeakPolarHBondContact CB-O 3.5Å; C516-C524 HydrophobicContact CB-CB 3.81Å; C516-C524 WeakPolarHBondContact CB-SG 3.49Å; C516-C524 PolarHBondContact O-SG 2.65Å; C516-C524 WeakPolarHBondContact SG-CB 3.47Å; C516-C524 CovalentContact SG-SG 2.03Å; C516-C524 PolarHBondContact SG-SG 2.89Å; C516-C527 PolarHBondContact N-O 3.31Å; C516-R528 PolarHBondContact SG-O 2.87Å; C516-R528 VanDerWaalsContact SG-O 3.37Å; C516-F529 HydrophobicContact CB-CD1 3.97Å; C516-F529 HydrophobicContact CB-CE1 3.78Å; C516-F529 PolarHBondContact SG-N 2.96Å
517	S	86.9	Confident	85.8	Confident	5 Å²	5	58.9 Å²	58.9	4%	0.035	32%	0.32	C	S	.	.			trans	-114.4	121.3	175.8	171.1	0	0	0	0	112.7	R519 N520 S521 C524	S517-R519 PolarHBondContact O-N 3.15Å; S517-R519 VanDerWaalsContact O-N 3.11Å; S517-R519 PolarHBondContact OG-N 2.94Å; S517-N520 WeakPolarHBondContact CB-OD1 3.39Å; S517-N520 PolarHBondContact O-N 3.13Å; S517-N520 VanDerWaalsContact O-N 3.08Å; S517-N520 PolarHBondContact OG-OD1 2.84Å; S517-S521 PolarHBondContact O-N 3.27Å; S517-C524 PolarHBondContact N-SG 3.07Å; S517-C524 VanDerWaalsContact N-SG 3.36Å
518	D	81.8	Confident	86.6	Confident	62 Å²	62	59.9 Å²	59.9	33%	0.332	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-24.9	176.2	-64.2	9	0	0	0	113.3	C524 K525 D526 C527	D518-C524 PolarHBondContact N-SG 2.82Å; D518-C524 PolarHBondContact OD1-SG 2.96Å; D518-C524 VanDerWaalsContact OD1-SG 3.32Å; D518-K525 WeakPolarHBondContact OD1-CA 3.5Å; D518-K525 PolarHBondContact OD1-N 3.23Å; D518-D526 VanDerWaalsContact CG-N 3.3Å; D518-D526 PolarHBondContact OD1-N 3.01Å; D518-D526 VanDerWaalsContact OD1-N 3.09Å; D518-D526 WeakPolarHBondContact OD2-CA 3.29Å; D518-D526 PolarHBondContact OD2-N 2.6Å; D518-C527 WeakPolarHBondContact OD1-CA 3.47Å; D518-C527 PolarHBondContact OD1-N 3.05Å
519	R	72.7	Confident	87.2	Confident	82 Å²	82	62.7 Å²	62.7	31%	0.309	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-23.3	179.8	-73.8	-171.7	58.7	75	2.1	114	S483 P493 H497 D501 S517	S483-R519 PolarHBondContact OG-NH2 3.05Å; P493-R519 WeakPolarHBondContact O-CD 3.44Å; P493-R519 PolarHBondContact O-NE 3.43Å; H497-R519 PolarHBondContact CD2-NH1 3.27Å; D501-R519 WeakPolarHBondContact OD2-CD 3.32Å; D501-R519 WeakPolarHBondContact OD2-CG 3.3Å; S517-R519 PolarHBondContact O-N 3.15Å; S517-R519 VanDerWaalsContact O-N 3.11Å; S517-R519 PolarHBondContact OG-N 2.94Å
520	N	77.6	Confident	87.3	Confident	46 Å²	46	58.7 Å²	58.7	25%	0.246	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	1.7	-172.7	-45.5	118.5	0	0	0	113.1	S483 V485 D492 S517	S483-N520 PolarHBondContact O-ND2 3.48Å; V485-N520 HydrophobicContact CG2-CB 3.77Å; D492-N520 PolarHBondContact N-OD1 3.49Å; D492-N520 PolarHBondContact O-ND2 2.82Å; D492-N520 PolarHBondContact O-OD1 3.13Å; D492-N520 VanDerWaalsContact O-OD1 3.13Å; S517-N520 WeakPolarHBondContact CB-OD1 3.39Å; S517-N520 PolarHBondContact O-N 3.13Å; S517-N520 VanDerWaalsContact O-N 3.08Å; S517-N520 PolarHBondContact OG-OD1 2.84Å
521	S	82.2	Confident	87.4	Confident	19 Å²	19	61.2 Å²	61.2	13%	0.133	33%	0.329	C	S	.	.			trans	-153.9	127.8	-173.1	168.1	0	0	0	0	112.2	S517 C523 C524 S555	S517-S521 PolarHBondContact O-N 3.27Å; S521-C523 PolarHBondContact O-N 3.09Å; S521-C523 WeakPolarHBondContact OG-CA 3.46Å; S521-C523 PolarHBondContact OG-N 2.67Å; S521-C524 PolarHBondContact O-N 3.29Å; S521-C524 PolarHBondContact OG-N 3.47Å; S521-S555 WeakPolarHBondContact CB-O 3.22Å; S521-S555 PolarHBondContact OG-O 3Å
522	A	80.9	Confident	87.5	Confident	63 Å²	63	68 Å²	68	52%	0.521	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-20.4	167.4	0	0	0	0	0	112.8	C524 C536	A522-C524 VanDerWaalsContact C-N 3.33Å; A522-C536 HydrophobicContact CB-CB 3.99Å
523	C	88.3	Confident	87.4	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	21.1	174	-69	0	0	0	0	113.9	S521 F529 Q530 C536 C550	S521-C523 PolarHBondContact O-N 3.09Å; S521-C523 WeakPolarHBondContact OG-CA 3.46Å; S521-C523 PolarHBondContact OG-N 2.67Å; C523-F529 CarbonylContact O-C 3.57Å; C523-F529 WeakPolarHBondContact O-CA 3.29Å; C523-Q530 PolarHBondContact O-N 3.05Å; C523-C536 WeakPolarHBondContact SG-CB 3.48Å; C523-C550 WeakPolarHBondContact CA-SG 3.34Å; C523-C550 HydrophobicContact CB-CB 3.82Å; C523-C550 WeakPolarHBondContact CB-SG 3.28Å; C523-C550 WeakPolarHBondContact SG-CA 3.43Å; C523-C550 WeakPolarHBondContact SG-CB 3.4Å; C523-C550 CovalentContact SG-SG 2.04Å; C523-C550 PolarHBondContact SG-SG 3.48Å
524	C	88.3	Confident	87.6	Confident	11 Å²	11	62.5 Å²	62.5	7%	0.074	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	142.6	173.9	-163.2	0	0	0	0	111.8	C516 S517 D518 S521 A522 R528	C516-C524 HydrophobicContact CB-CB 3.81Å; C516-C524 WeakPolarHBondContact CB-SG 3.49Å; C516-C524 PolarHBondContact O-SG 2.65Å; C516-C524 WeakPolarHBondContact SG-CB 3.47Å; C516-C524 CovalentContact SG-SG 2.03Å; C516-C524 PolarHBondContact SG-SG 2.89Å; S517-C524 PolarHBondContact N-SG 3.07Å; S517-C524 VanDerWaalsContact N-SG 3.36Å; D518-C524 PolarHBondContact N-SG 2.82Å; D518-C524 PolarHBondContact OD1-SG 2.96Å; D518-C524 VanDerWaalsContact OD1-SG 3.32Å; S521-C524 PolarHBondContact O-N 3.29Å; S521-C524 PolarHBondContact OG-N 3.47Å; A522-C524 VanDerWaalsContact C-N 3.33Å; C524-R528 WeakPolarHBondContact CA-O 3.47Å
525	K	89.3	Confident	87.2	Confident	113 Å²	113	64.7 Å²	64.7	49%	0.491	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	134	176.5	-162.9	178	-168.7	164.3	0	111	D518 C527 R528 Q530	D518-K525 WeakPolarHBondContact OD1-CA 3.5Å; D518-K525 PolarHBondContact OD1-N 3.23Å; K525-C527 PolarHBondContact O-N 3.45Å; K525-R528 PolarHBondContact N-O 2.75Å; K525-R528 PolarHBondContact O-N 3.43Å; K525-R528 VanDerWaalsContact O-N 3.12Å; K525-Q530 HydrophobicContact CB-CG 4.17Å
526	D	90	Very high	86.7	Confident	107 Å²	107	61.1 Å²	61.1	57%	0.572	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	38.9	-173.8	-68.1	-71.8	0	0	0	111.7	R502 D518 R528	R502-D526 IonicContact NH1-OD1 3.71Å; D518-D526 VanDerWaalsContact CG-N 3.3Å; D518-D526 PolarHBondContact OD1-N 3.01Å; D518-D526 VanDerWaalsContact OD1-N 3.09Å; D518-D526 WeakPolarHBondContact OD2-CA 3.29Å; D518-D526 PolarHBondContact OD2-N 2.6Å; D526-R528 VanDerWaalsContact C-N 3.3Å; D526-R528 PolarHBondContact O-N 2.86Å
527	C	92.1	Very high	86	Confident	14 Å²	14	62.1 Å²	62.1	10%	0.095	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	21.3	-180	-44.3	0	0	0	0	116	C503 A514 E515 C516 D518 K525	C503-C527 WeakPolarHBondContact CA-SG 3.23Å; C503-C527 HydrophobicContact CB-CB 3.6Å; C503-C527 WeakPolarHBondContact CB-SG 3.45Å; C503-C527 PolarHBondContact N-SG 2.88Å; C503-C527 VanDerWaalsContact N-SG 3.37Å; C503-C527 WeakPolarHBondContact SG-CA 3.23Å; C503-C527 WeakPolarHBondContact SG-CB 3.4Å; C503-C527 CovalentContact SG-SG 2.04Å; C503-C527 PolarHBondContact SG-SG 2.97Å; A514-C527 HydrophobicContact CB-CB 3.83Å; E515-C527 PolarHBondContact N-O 3.26Å; C516-C527 PolarHBondContact N-O 3.31Å; D518-C527 WeakPolarHBondContact OD1-CA 3.47Å; D518-C527 PolarHBondContact OD1-N 3.05Å; K525-C527 PolarHBondContact O-N 3.45Å
528	R	93.4	Very high	85.6	Confident	149 Å²	149	68.2 Å²	68.2	56%	0.562	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133	154.2	179.9	-65.9	-175.6	175.8	-153.4	-8.7	111.9	C516 C524 K525 D526 Q530	C516-R528 PolarHBondContact SG-O 2.87Å; C516-R528 VanDerWaalsContact SG-O 3.37Å; C524-R528 WeakPolarHBondContact CA-O 3.47Å; K525-R528 PolarHBondContact N-O 2.75Å; K525-R528 PolarHBondContact O-N 3.43Å; K525-R528 VanDerWaalsContact O-N 3.12Å; D526-R528 VanDerWaalsContact C-N 3.3Å; D526-R528 PolarHBondContact O-N 2.86Å; R528-Q530 PolarHBondContact O-N 3.21Å
529	F	93.3	Very high	85.2	Confident	60 Å²	60	67.2 Å²	67.2	26%	0.263	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	137.1	178.6	-54.7	-53.3	0	0	0	110.9	E515 C516 C523 S554 S555	E515-F529 HydrophobicContact CB-CD2 4.3Å; E515-F529 HydrophobicContact CB-CE1 4.49Å; E515-F529 HydrophobicContact CB-CE2 3.91Å; E515-F529 HydrophobicContact CB-CZ 4.02Å; E515-F529 WeakPolarHBondContact O-CE1 3.38Å; E515-F529 WeakPolarHBondContact O-CZ 3.4Å; C516-F529 HydrophobicContact CB-CD1 3.97Å; C516-F529 HydrophobicContact CB-CE1 3.78Å; C516-F529 PolarHBondContact SG-N 2.96Å; C523-F529 CarbonylContact O-C 3.57Å; C523-F529 WeakPolarHBondContact O-CA 3.29Å; F529-S554 WeakPolarHBondContact CD1-O 3.04Å; F529-S554 VanDerWaalsContact CE1-C 3.48Å; F529-S555 VanDerWaalsContact CD1-N 3.27Å; F529-S555 VanDerWaalsContact CE1-N 3.25Å
530	Q	90.8	Very high	85	Confident	27 Å²	27	65.4 Å²	65.4	13%	0.126	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-64.1	155.7	177.3	-104	-53	-65	0	0	112.1	C523 K525 R528 E534 C550 G552	C523-Q530 PolarHBondContact O-N 3.05Å; K525-Q530 HydrophobicContact CB-CG 4.17Å; R528-Q530 PolarHBondContact O-N 3.21Å; Q530-E534 HydrophobicContact CB-CB 4.26Å; Q530-E534 HydrophobicContact CG-CB 4.46Å; Q530-E534 HydrophobicContact CG-CG 4.25Å; Q530-C550 HydrophobicContact CB-CB 4.15Å; Q530-G552 WeakPolarHBondContact O-CA 3.43Å
531	V	92.2	Very high	84.6	Confident	98 Å²	98	67 Å²	67	59%	0.594	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-62	144	-179.8	-66	0	0	0	0	110.5	G533 E534	V531-G533 PolarHBondContact O-N 2.72Å; V531-G533 VanDerWaalsContact O-N 3.16Å; V531-E534 PolarHBondContact O-N 2.77Å; V531-E534 VanDerWaalsContact O-N 3.14Å
532	R	92.8	Very high	83.6	Confident	213 Å²	213	68.5 Å²	68.5	80%	0.804	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	122.2	-179.5	-177.2	176.1	175.3	-175.5	-0.8	110.3	C550 T551	R532-C550 VanDerWaalsContact CA-O 3.32Å; R532-C550 WeakPolarHBondContact CA-O 3.37Å; R532-T551 WeakPolarHBondContact CB-O 3.34Å; R532-T551 WeakPolarHBondContact CD-O 3.33Å; R532-T551 WeakPolarHBondContact CG-O 3.47Å
533	G	86.7	Confident	82.9	Confident	43 Å²	43	68.8 Å²	68.8	44%	0.443	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.4	-1.4	-178.6	0	0	0	0	0	115.6	V531 Y549 C550	V531-G533 PolarHBondContact O-N 2.72Å; V531-G533 VanDerWaalsContact O-N 3.16Å; G533-Y549 WeakPolarHBondContact O-CD1 3.28Å; G533-C550 PolarHBondContact N-O 2.85Å
534	E	88.9	Confident	82.4	Confident	88 Å²	88	68.8 Å²	68.8	41%	0.411	35%	0.353	S	S	.	.			trans	-65.7	137	165.8	-166.9	75.5	161.9	0	0	109.5	Q530 V531 Y549 C550	Q530-E534 HydrophobicContact CB-CB 4.26Å; Q530-E534 HydrophobicContact CG-CB 4.46Å; Q530-E534 HydrophobicContact CG-CG 4.25Å; V531-E534 PolarHBondContact O-N 2.77Å; V531-E534 VanDerWaalsContact O-N 3.14Å; E534-Y549 CarbonylContact O-C 3.2Å; E534-Y549 VanDerWaalsContact O-CA 3.27Å; E534-Y549 WeakPolarHBondContact O-CA 3.29Å; E534-C550 HydrophobicContact CB-CB 4.47Å; E534-C550 PolarHBondContact O-N 2.86Å
535	V	83.1	Confident	81.9	Confident	63 Å²	63	71.3 Å²	71.3	38%	0.382	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	126.3	179.3	177.2	0	0	0	0	109.8	Q537 H547 S548 Y549	V535-Q537 WeakPolarHBondContact CG1-O 3.4Å; V535-H547 HydrophobicContact CG1-CB 4.49Å; V535-S548 WeakPolarHBondContact CA-O 3.46Å; V535-Y549 HydrophobicContact CG2-CD1 3.87Å; V535-Y549 HydrophobicContact CG2-CE1 3.62Å
536	C	81.8	Confident	81.5	Confident	17 Å²	17	66.2 Å²	66.2	12%	0.115	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-23.3	173.4	54.6	0	0	0	0	113.7	A522 C523 S548 C557	A522-C536 HydrophobicContact CB-CB 3.99Å; C523-C536 WeakPolarHBondContact SG-CB 3.48Å; C536-S548 PolarHBondContact N-O 3.26Å; C536-C557 HydrophobicContact CB-CB 3.72Å; C536-C557 WeakPolarHBondContact CB-SG 3.31Å; C536-C557 VanDerWaalsContact SG-CA 3.56Å; C536-C557 WeakPolarHBondContact SG-CB 3.35Å; C536-C557 CovalentContact SG-SG 2.04Å; C536-C557 PolarHBondContact SG-SG 3.5Å
537	Q	74.4	Confident	81.2	Confident	25 Å²	25	64.5 Å²	64.5	12%	0.117	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	134.1	176.4	-161.2	-177.9	48.6	0	0	111.1	E125 V535 H547 S548 P560	E125-Q537 VanDerWaalsContact OE2-CD 3.25Å; E125-Q537 WeakPolarHBondContact OE2-CG 3.3Å; E125-Q537 PolarHBondContact OE2-NE2 2.99Å; V535-Q537 WeakPolarHBondContact CG1-O 3.4Å; Q537-H547 CarbonylContact O-C 3.57Å; Q537-H547 VanDerWaalsContact O-CA 3.27Å; Q537-H547 WeakPolarHBondContact O-CA 3.4Å; Q537-S548 PolarHBondContact N-O 2.91Å; Q537-S548 PolarHBondContact O-N 3.31Å; Q537-P560 VanDerWaalsContact OE1-CB 3.29Å
538	E	77	Confident	80.8	Confident	133 Å²	133	64 Å²	64	62%	0.621	33%	0.328	S	S	*	.			trans	-81	158.1	178	-71.1	-70.1	-178.6	0	0	112.3	I540 H547	E538-I540 PolarHBondContact O-N 3.37Å; E538-H547 IonicContact OE2-CD2 3.05Å
539	P	74.4	Confident	80.7	Confident	41 Å²	41	61.1 Å²	61.1	27%	0.266	32%	0.318	S	S	.	.			trans	-82.9	117.3	-166.3	32	-33.9	0	0	0	113.8	N541 K545	P539-N541 PolarHBondContact O-N 3.48Å; P539-N541 VanDerWaalsContact O-N 3.17Å; P539-K545 CarbonylContact C-O 3.59Å; P539-K545 WeakPolarHBondContact CA-O 3.45Å
540	I	67.1	Low	80.5	Confident	43 Å²	43	58.4 Å²	58.4	22%	0.221	31%	0.306	C	S	.	.			trans	-87	82.6	176	-44.8	177.1	0	0	0	110.3	D145 E538 A542 T543 C544 K545	D145-I540 HydrophobicContact CB-CD1 4.45Å; E538-I540 PolarHBondContact O-N 3.37Å; I540-A542 PolarHBondContact O-N 3.37Å; I540-T543 HydrophobicContact CG2-CG2 4.29Å; I540-T543 VanDerWaalsContact CG2-OG1 3.29Å; I540-T543 WeakPolarHBondContact CG2-OG1 3.35Å; I540-T543 PolarHBondContact O-N 3.23Å; I540-T543 PolarHBondContact O-OG1 3.39Å; I540-C544 PolarHBondContact O-N 2.53Å; I540-C544 VanDerWaalsContact O-N 3.17Å; I540-K545 CarbonylContact C-O 3.59Å; I540-K545 HydrophobicContact CB-CB 4.23Å; I540-K545 PolarHBondContact N-O 2.92Å; I540-K545 PolarHBondContact O-N 3.28Å
541	N	70.9	Confident	80.5	Confident	81 Å²	81	59.4 Å²	59.4	43%	0.433	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-55.7	-35.4	-178.8	-69.4	-42.1	0	0	0	113.5	P539 T543 C544 T567 C569	P539-N541 PolarHBondContact O-N 3.48Å; P539-N541 VanDerWaalsContact O-N 3.17Å; N541-T543 VanDerWaalsContact C-N 3.28Å; N541-T543 PolarHBondContact O-N 3.36Å; N541-C544 PolarHBondContact O-N 2.85Å; N541-T567 HydrophobicContact CB-CG2 4.21Å; N541-T567 WeakPolarHBondContact OD1-CG2 3.42Å; N541-C569 VanDerWaalsContact O-CB 3.29Å; N541-C569 WeakPolarHBondContact O-CB 3.21Å
542	A	61	Low	80.4	Confident	49 Å²	49	56.4 Å²	56.4	41%	0.405	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-60.5	-35.1	-179.4	0	0	0	0	0	113.4	I540	I540-A542 PolarHBondContact O-N 3.37Å
543	T	66.3	Low	80.3	Confident	69 Å²	69	51.9 Å²	51.9	42%	0.423	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-103.3	5.7	179.8	58.8	0	0	0	0	113	I540 N541	I540-T543 HydrophobicContact CG2-CG2 4.29Å; I540-T543 VanDerWaalsContact CG2-OG1 3.29Å; I540-T543 WeakPolarHBondContact CG2-OG1 3.35Å; I540-T543 PolarHBondContact O-N 3.23Å; I540-T543 PolarHBondContact O-OG1 3.39Å; N541-T543 VanDerWaalsContact C-N 3.28Å; N541-T543 PolarHBondContact O-N 3.36Å
544	C	76.7	Confident	80.3	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	38.7	-177	-63.5	0	0	0	0	115.1	I540 N541 A563 C569 C575 C580	I540-C544 PolarHBondContact O-N 2.53Å; I540-C544 VanDerWaalsContact O-N 3.17Å; N541-C544 PolarHBondContact O-N 2.85Å; C544-A563 VanDerWaalsContact C-CB 3.41Å; C544-A563 HydrophobicContact CB-CB 4.28Å; C544-A563 WeakPolarHBondContact O-CB 3.3Å; C544-A563 PolarHBondContact O-N 3.43Å; C544-C569 VanDerWaalsContact SG-CB 3.52Å; C544-C575 WeakPolarHBondContact CA-SG 3.39Å; C544-C575 HydrophobicContact CB-CB 3.66Å; C544-C575 WeakPolarHBondContact CB-SG 3.16Å; C544-C575 WeakPolarHBondContact SG-CA 3.43Å; C544-C575 WeakPolarHBondContact SG-CB 3.35Å; C544-C575 CovalentContact SG-SG 2.03Å; C544-C575 PolarHBondContact SG-SG 2.95Å; C544-C580 WeakPolarHBondContact SG-CA 3.3Å; C544-C580 PolarHBondContact SG-N 3.12Å; C544-C580 VanDerWaalsContact SG-N 3.45Å
545	K	79.1	Confident	80	Confident	64 Å²	64	49.3 Å²	49.3	28%	0.278	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-99.2	129.9	167.4	-62.5	-48.2	-159.7	164	0	111.1	P539 I540 P560	P539-K545 CarbonylContact C-O 3.59Å; P539-K545 WeakPolarHBondContact CA-O 3.45Å; I540-K545 CarbonylContact C-O 3.59Å; I540-K545 HydrophobicContact CB-CB 4.23Å; I540-K545 PolarHBondContact N-O 2.92Å; I540-K545 PolarHBondContact O-N 3.28Å; K545-P560 HydrophobicContact CB-CB 4.15Å; K545-P560 HydrophobicContact CB-CG 3.89Å; K545-P560 HydrophobicContact CD-CG 3.9Å; K545-P560 HydrophobicContact CG-CG 3.87Å
546	G	79.6	Confident	79.9	Confident	7 Å²	7	53.5 Å²	53.5	7%	0.072	30%	0.295	C	S	.	.			trans	-82.6	-163.9	168	0	0	0	0	0	110.3	P560 E561	G546-P560 WeakPolarHBondContact O-CB 3.4Å; G546-E561 PolarHBondContact N-O 3.27Å
547	H	83.1	Confident	79.8	Confident	70 Å²	70	54.1 Å²	54.1	32%	0.324	30%	0.299	S	S	.	.			trans	-64.8	157.4	172.5	-47.1	91.5	0	0	0	111.1	V535 Q537 E538 Y549 E561	V535-H547 HydrophobicContact CG1-CB 4.49Å; Q537-H547 CarbonylContact O-C 3.57Å; Q537-H547 VanDerWaalsContact O-CA 3.27Å; Q537-H547 WeakPolarHBondContact O-CA 3.4Å; E538-H547 IonicContact OE2-CD2 3.05Å; H547-Y549 HydrophobicContact CB-CE1 4.19Å; H547-Y549 HydrophobicContact CB-CE2 3.98Å; H547-Y549 PolarHBondContact ND1-OH 2.99Å; H547-E561 PolarHBondContact O-N 3.11Å; H547-E561 VanDerWaalsContact O-N 3.16Å
548	S	85.5	Confident	80.2	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	148.4	157.3	-165.4	0	0	0	0	111.3	V535 C536 Q537 C557 P558	V535-S548 WeakPolarHBondContact CA-O 3.46Å; C536-S548 PolarHBondContact N-O 3.26Å; Q537-S548 PolarHBondContact N-O 2.91Å; Q537-S548 PolarHBondContact O-N 3.31Å; S548-C557 VanDerWaalsContact CB-SG 3.52Å; S548-C557 PolarHBondContact OG-SG 3.45Å; S548-P558 WeakPolarHBondContact CB-O 3.47Å; S548-P558 WeakPolarHBondContact OG-CG 3.22Å; S548-P558 PolarHBondContact OG-O 2.89Å
549	Y	90.1	Very high	80.2	Confident	90 Å²	90	54 Å²	54	35%	0.353	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	135.4	-173.9	-57.3	-80	0	0	0	111.6	G533 E534 V535 H547 P558	G533-Y549 WeakPolarHBondContact O-CD1 3.28Å; E534-Y549 CarbonylContact O-C 3.2Å; E534-Y549 VanDerWaalsContact O-CA 3.27Å; E534-Y549 WeakPolarHBondContact O-CA 3.29Å; V535-Y549 HydrophobicContact CG2-CD1 3.87Å; V535-Y549 HydrophobicContact CG2-CE1 3.62Å; H547-Y549 HydrophobicContact CB-CE1 4.19Å; H547-Y549 HydrophobicContact CB-CE2 3.98Å; H547-Y549 PolarHBondContact ND1-OH 2.99Å; Y549-P558 WeakPolarHBondContact O-CD 3.23Å; Y549-P558 WeakPolarHBondContact O-CG 3.4Å
550	C	90.3	Very high	80.5	Confident	2 Å²	2	53 Å²	53	1%	0.014	31%	0.306	C	S	.	.			trans	-58.8	139.8	176.3	-59.7	0	0	0	0	111.8	C523 Q530 R532 G533 E534 G552	C523-C550 WeakPolarHBondContact CA-SG 3.34Å; C523-C550 HydrophobicContact CB-CB 3.82Å; C523-C550 WeakPolarHBondContact CB-SG 3.28Å; C523-C550 WeakPolarHBondContact SG-CA 3.43Å; C523-C550 WeakPolarHBondContact SG-CB 3.4Å; C523-C550 CovalentContact SG-SG 2.04Å; C523-C550 PolarHBondContact SG-SG 3.48Å; Q530-C550 HydrophobicContact CB-CB 4.15Å; R532-C550 VanDerWaalsContact CA-O 3.32Å; R532-C550 WeakPolarHBondContact CA-O 3.37Å; G533-C550 PolarHBondContact N-O 2.85Å; E534-C550 HydrophobicContact CB-CB 4.47Å; E534-C550 PolarHBondContact O-N 2.86Å; C550-G552 VanDerWaalsContact C-N 3.35Å; C550-G552 PolarHBondContact O-N 3.03Å
551	T	89.6	Confident	81.3	Confident	48 Å²	48	57.2 Å²	57.2	29%	0.294	33%	0.325	S	S	.	.			trans	-76.8	-20.5	-173.2	62.8	0	0	0	0	113.8	R532 N553 S554 P558	R532-T551 WeakPolarHBondContact CB-O 3.34Å; R532-T551 WeakPolarHBondContact CD-O 3.33Å; R532-T551 WeakPolarHBondContact CG-O 3.47Å; T551-N553 VanDerWaalsContact CB-OD1 3.24Å; T551-N553 WeakPolarHBondContact CB-OD1 3.15Å; T551-N553 PolarHBondContact OG1-N 3.22Å; T551-N553 PolarHBondContact OG1-OD1 3.5Å; T551-S554 PolarHBondContact OG1-N 3.14Å; T551-P558 HydrophobicContact CG2-CG 4.13Å
552	G	89.4	Confident	82	Confident	36 Å²	36	57.6 Å²	57.6	37%	0.371	33%	0.327	S	S	.	.	S	Bend	trans	87.7	0.8	-170.2	0	0	0	0	0	115	Q530 C550	Q530-G552 WeakPolarHBondContact O-CA 3.43Å; C550-G552 VanDerWaalsContact C-N 3.35Å; C550-G552 PolarHBondContact O-N 3.03Å
553	N	90.5	Very high	83.2	Confident	118 Å²	118	55.3 Å²	55.3	63%	0.631	31%	0.308	S	S	*	.	S	Bend	trans	-152.2	15	-174.7	73.9	-27.2	0	0	0	114.7	T551	T551-N553 VanDerWaalsContact CB-OD1 3.24Å; T551-N553 WeakPolarHBondContact CB-OD1 3.15Å; T551-N553 PolarHBondContact OG1-N 3.22Å; T551-N553 PolarHBondContact OG1-OD1 3.5Å
554	S	87.4	Confident	84.3	Confident	32 Å²	32	56.2 Å²	56.2	22%	0.224	32%	0.315	C	S	.	.			trans	-149.2	153.8	176.1	-173.5	0	0	0	0	109.8	F529 T551 E556	F529-S554 WeakPolarHBondContact CD1-O 3.04Å; F529-S554 VanDerWaalsContact CE1-C 3.48Å; T551-S554 PolarHBondContact OG1-N 3.14Å; S554-E556 PolarHBondContact OG-N 2.98Å; S554-E556 VanDerWaalsContact OG-N 3.12Å
555	S	82.4	Confident	84.8	Confident	44 Å²	44	60.8 Å²	60.8	31%	0.308	34%	0.339	S	S	.	.	S	Bend	trans	-87.6	-12.9	169.7	45.7	0	0	0	0	112.5	S521 F529 C557	S521-S555 WeakPolarHBondContact CB-O 3.22Å; S521-S555 PolarHBondContact OG-O 3Å; F529-S555 VanDerWaalsContact CD1-N 3.27Å; F529-S555 VanDerWaalsContact CE1-N 3.25Å; S555-C557 PolarHBondContact O-N 2.97Å
556	E	80.6	Confident	85.2	Confident	151 Å²	151	62.2 Å²	62.2	71%	0.706	35%	0.353	S	S	*	.	S	Bend	trans	-74.5	123.7	173.2	-63.8	179.4	161.2	0	0	109.5	S554 P558	S554-E556 PolarHBondContact OG-N 2.98Å; S554-E556 VanDerWaalsContact OG-N 3.12Å; E556-P558 WeakPolarHBondContact O-CD 3.35Å
557	C	79.6	Confident	85.4	Confident	30 Å²	30	63.3 Å²	63.3	20%	0.203	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-66	121.1	163.7	-173.7	0	0	0	0	107.2	C536 S548 S555	C536-C557 HydrophobicContact CB-CB 3.72Å; C536-C557 WeakPolarHBondContact CB-SG 3.31Å; C536-C557 VanDerWaalsContact SG-CA 3.56Å; C536-C557 WeakPolarHBondContact SG-CB 3.35Å; C536-C557 CovalentContact SG-SG 2.04Å; C536-C557 PolarHBondContact SG-SG 3.5Å; S548-C557 VanDerWaalsContact CB-SG 3.52Å; S548-C557 PolarHBondContact OG-SG 3.45Å; S555-C557 PolarHBondContact O-N 2.97Å
558	P	84.5	Confident	85.5	Confident	41 Å²	41	64.5 Å²	64.5	27%	0.266	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-68	165.2	-178.8	26.7	-31.4	0	0	0	110.6	S548 Y549 T551 E556	S548-P558 WeakPolarHBondContact CB-O 3.47Å; S548-P558 WeakPolarHBondContact OG-CG 3.22Å; S548-P558 PolarHBondContact OG-O 2.89Å; Y549-P558 WeakPolarHBondContact O-CD 3.23Å; Y549-P558 WeakPolarHBondContact O-CG 3.4Å; T551-P558 HydrophobicContact CG2-CG 4.13Å; E556-P558 WeakPolarHBondContact O-CD 3.35Å
559	P	76.8	Confident	85.2	Confident	115 Å²	115	64.9 Å²	64.9	75%	0.747	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-56.6	135	173	-25	34.9	0	0	0	111
560	P	79.2	Confident	84.3	Confident	20 Å²	20	65 Å²	65	13%	0.13	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-61.7	144.5	-175.4	25.6	-36.3	0	0	0	111.5	Q537 K545 G546	Q537-P560 VanDerWaalsContact OE1-CB 3.29Å; K545-P560 HydrophobicContact CB-CB 4.15Å; K545-P560 HydrophobicContact CB-CG 3.89Å; K545-P560 HydrophobicContact CD-CG 3.9Å; K545-P560 HydrophobicContact CG-CG 3.87Å; G546-P560 WeakPolarHBondContact O-CB 3.4Å
561	E	85.3	Confident	83.4	Confident	132 Å²	132	66.8 Å²	66.8	62%	0.617	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-60.1	162.3	175.7	-68.6	-163	164.6	0	0	110.6	G546 H547 A563	G546-E561 PolarHBondContact N-O 3.27Å; H547-E561 PolarHBondContact O-N 3.11Å; H547-E561 VanDerWaalsContact O-N 3.16Å; E561-A563 PolarHBondContact O-N 3.24Å
562	N	85.4	Confident	82.9	Confident	89 Å²	89	68.1 Å²	68.1	48%	0.476	39%	0.394	S	S	.	.	B	Isolated β-bridge	trans	-66.5	130.7	174.4	-67.1	-20	0	0	0	109.2	G577 G578	N562-G577 PolarHBondContact ND2-O 2.81Å; N562-G578 WeakPolarHBondContact OD1-CA 3.41Å
563	A	85	Confident	82.7	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.008	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-56.3	146	170	0	0	0	0	0	109.4	C544 E561 D565 T567 C575	C544-A563 VanDerWaalsContact C-CB 3.41Å; C544-A563 HydrophobicContact CB-CB 4.28Å; C544-A563 WeakPolarHBondContact O-CB 3.3Å; C544-A563 PolarHBondContact O-N 3.43Å; E561-A563 PolarHBondContact O-N 3.24Å; A563-D565 PolarHBondContact O-N 2.92Å; A563-T567 HydrophobicContact CB-CG2 4.42Å; A563-C575 HydrophobicContact CB-CB 4.49Å
564	P	89.6	Confident	82.7	Confident	88 Å²	88	63.1 Å²	63.1	57%	0.571	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-50.1	137.7	-178	-29.4	34.9	0	0	0	112.5	T566 T567	P564-T566 PolarHBondContact O-N 3.05Å; P564-T567 WeakPolarHBondContact O-CB 3.36Å; P564-T567 PolarHBondContact O-N 3.43Å; P564-T567 PolarHBondContact O-OG1 3.11Å; P564-T567 VanDerWaalsContact O-OG1 3.06Å
565	D	87.1	Confident	82.7	Confident	95 Å²	95	61.6 Å²	61.6	51%	0.508	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	139	173.3	-82	16.5	0	0	0	109.5	A563 C575 R576 G577	A563-D565 PolarHBondContact O-N 2.92Å; D565-C575 CarbonylContact C-O 3.54Å; D565-C575 VanDerWaalsContact CA-O 3.26Å; D565-C575 WeakPolarHBondContact CA-O 3.37Å; D565-R576 WeakPolarHBondContact OD1-CA 3.33Å; D565-G577 PolarHBondContact OD1-N 2.67Å
566	T	87.3	Confident	83	Confident	94 Å²	94	64.3 Å²	64.3	58%	0.577	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	-0.1	-168.7	75.1	0	0	0	0	117.5	P564 V568 C575	P564-T566 PolarHBondContact O-N 3.05Å; T566-V568 PolarHBondContact O-N 2.87Å; T566-C575 PolarHBondContact N-O 3.02Å
567	T	85.5	Confident	83.2	Confident	30 Å²	30	59.3 Å²	59.3	18%	0.184	34%	0.339	C	S	.	.			trans	-57.3	133.4	165.3	-71.6	0	0	0	0	110.3	N541 A563 P564 E574 C575	N541-T567 HydrophobicContact CB-CG2 4.21Å; N541-T567 WeakPolarHBondContact OD1-CG2 3.42Å; A563-T567 HydrophobicContact CB-CG2 4.42Å; P564-T567 WeakPolarHBondContact O-CB 3.36Å; P564-T567 PolarHBondContact O-N 3.43Å; P564-T567 PolarHBondContact O-OG1 3.11Å; P564-T567 VanDerWaalsContact O-OG1 3.06Å; T567-E574 CarbonylContact O-C 3.58Å; T567-E574 WeakPolarHBondContact O-CA 3.44Å; T567-C575 PolarHBondContact O-N 2.95Å; T567-C575 PolarHBondContact O-SG 2.94Å; T567-C575 VanDerWaalsContact O-SG 3.35Å
568	V	83.4	Confident	83.2	Confident	95 Å²	95	58.3 Å²	58.3	58%	0.576	33%	0.334	S	S	*	.	B	Isolated β-bridge	trans	-74.2	127.9	179.9	-176.7	0	0	0	0	110.1	T566 G573	T566-V568 PolarHBondContact O-N 2.87Å; V568-G573 WeakPolarHBondContact CA-O 3.31Å
569	C	80.1	Confident	83	Confident	11 Å²	11	63.9 Å²	63.9	7%	0.074	36%	0.355	C	S	.	.			trans	-123.5	-164.1	-178.1	64.2	0	0	0	0	111.4	N541 C544 D571 N572 G573 C580	N541-C569 VanDerWaalsContact O-CB 3.29Å; N541-C569 WeakPolarHBondContact O-CB 3.21Å; C544-C569 VanDerWaalsContact SG-CB 3.52Å; C569-D571 PolarHBondContact O-N 2.82Å; C569-N572 PolarHBondContact O-N 3.36Å; C569-G573 PolarHBondContact N-O 2.91Å; C569-G573 PolarHBondContact SG-O 3.19Å; C569-G573 VanDerWaalsContact SG-O 3.4Å; C569-C580 HydrophobicContact CB-CB 3.74Å; C569-C580 WeakPolarHBondContact CB-SG 3.18Å; C569-C580 WeakPolarHBondContact SG-CA 3.3Å; C569-C580 WeakPolarHBondContact SG-CB 3.44Å; C569-C580 CovalentContact SG-SG 2.03Å; C569-C580 PolarHBondContact SG-SG 2.92Å
570	L	72.3	Confident	83.2	Confident	93 Å²	93	60.5 Å²	60.5	49%	0.487	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-48.4	137.7	-175.3	-166.1	69.3	0	0	0	113.2	N572 G573 C580	L570-N572 PolarHBondContact O-N 3.26Å; L570-G573 PolarHBondContact O-N 3.43Å; L570-C580 PolarHBondContact N-SG 3.23Å; L570-C580 VanDerWaalsContact N-SG 3.41Å
571	D	71.4	Confident	83.6	Confident	40 Å²	40	60.6 Å²	60.6	21%	0.214	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	51.5	35.9	-179.4	-75.1	9.3	0	0	0	114.9	C569 G573 R627 K630	C569-D571 PolarHBondContact O-N 2.82Å; D571-G573 VanDerWaalsContact C-N 3.25Å; D571-G573 PolarHBondContact O-N 3.3Å; D571-R627 WeakPolarHBondContact OD1-CD 3.45Å; D571-R627 WeakPolarHBondContact OD1-CG 3.36Å; D571-R627 IonicContact OD1-NE 3.79Å; D571-R627 PolarHBondContact OD1-NE 3.24Å; D571-K630 VanDerWaalsContact OD2-CD 3.29Å; D571-K630 WeakPolarHBondContact OD2-CD 3.22Å; D571-K630 WeakPolarHBondContact OD2-CE 3.41Å; D571-K630 IonicContact OD2-NZ 3.26Å; D571-K630 PolarHBondContact OD2-NZ 2.89Å
572	N	78.9	Confident	83.6	Confident	76 Å²	76	57.1 Å²	57.1	41%	0.406	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	62.7	24.9	-175.8	-51.6	-52.9	0	0	0	113.9	C569 L570 F583	C569-N572 PolarHBondContact O-N 3.36Å; L570-N572 PolarHBondContact O-N 3.26Å; N572-F583 HydrophobicContact CB-CD2 4.18Å; N572-F583 WeakPolarHBondContact O-CD2 3.44Å
573	G	83.7	Confident	83.7	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.01	31%	0.305	C	S	.	.			trans	-65	169.8	168.6	0	0	0	0	0	112.8	V568 C569 L570 D571 V581	V568-G573 WeakPolarHBondContact CA-O 3.31Å; C569-G573 PolarHBondContact N-O 2.91Å; C569-G573 PolarHBondContact SG-O 3.19Å; C569-G573 VanDerWaalsContact SG-O 3.4Å; L570-G573 PolarHBondContact O-N 3.43Å; D571-G573 VanDerWaalsContact C-N 3.25Å; D571-G573 PolarHBondContact O-N 3.3Å; G573-V581 CarbonylContact C-O 3.55Å; G573-V581 WeakPolarHBondContact CA-O 3.42Å
574	E	91.2	Very high	83.8	Confident	47 Å²	47	54.2 Å²	54.2	22%	0.22	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	140.5	167	-76.1	175.2	-168	0	0	110.1	T567 R576 V581 V586	T567-E574 CarbonylContact O-C 3.58Å; T567-E574 WeakPolarHBondContact O-CA 3.44Å; E574-R576 PolarHBondContact O-N 2.9Å; E574-R576 IonicContact OE2-CZ 2.7Å; E574-R576 IonicContact OE2-NE 2.71Å; E574-R576 PolarHBondContact OE2-NE 3.38Å; E574-R576 VanDerWaalsContact OE2-NE 3.16Å; E574-R576 IonicContact OE2-NH2 3.06Å; E574-R576 PolarHBondContact OE2-NH2 2.87Å; E574-V581 PolarHBondContact N-O 2.04Å; E574-V581 WeakPolarHBondContact O-CB 3.44Å; E574-V581 PolarHBondContact O-N 3.01Å; E574-V586 HydrophobicContact CB-CG1 4.16Å; E574-V586 HydrophobicContact CB-CG2 3.71Å; E574-V586 HydrophobicContact CG-CG1 3.66Å; E574-V586 HydrophobicContact CG-CG2 4.16Å; E574-V586 VanDerWaalsContact OE1-CG1 3.22Å; E574-V586 WeakPolarHBondContact OE1-CG1 3.44Å; E574-V586 WeakPolarHBondContact OE2-CG1 3.07Å
575	C	87.9	Confident	83.7	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	131.8	163.6	-60.3	0	0	0	0	110.8	C544 A563 D565 T566 T567 K579	C544-C575 WeakPolarHBondContact CA-SG 3.39Å; C544-C575 HydrophobicContact CB-CB 3.66Å; C544-C575 WeakPolarHBondContact CB-SG 3.16Å; C544-C575 WeakPolarHBondContact SG-CA 3.43Å; C544-C575 WeakPolarHBondContact SG-CB 3.35Å; C544-C575 CovalentContact SG-SG 2.03Å; C544-C575 PolarHBondContact SG-SG 2.95Å; A563-C575 HydrophobicContact CB-CB 4.49Å; D565-C575 CarbonylContact C-O 3.54Å; D565-C575 VanDerWaalsContact CA-O 3.26Å; D565-C575 WeakPolarHBondContact CA-O 3.37Å; T566-C575 PolarHBondContact N-O 3.02Å; T567-C575 PolarHBondContact O-N 2.95Å; T567-C575 PolarHBondContact O-SG 2.94Å; T567-C575 VanDerWaalsContact O-SG 3.35Å; C575-K579 WeakPolarHBondContact CA-O 3.21Å
576	R	88.8	Confident	83.6	Confident	101 Å²	101	51.3 Å²	51.3	38%	0.381	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	117.9	166.1	-58.1	-174.7	178.7	173.2	-3.1	109.5	D565 E574 G578 K579 V581	D565-R576 WeakPolarHBondContact OD1-CA 3.33Å; E574-R576 PolarHBondContact O-N 2.9Å; E574-R576 IonicContact OE2-CZ 2.7Å; E574-R576 IonicContact OE2-NE 2.71Å; E574-R576 PolarHBondContact OE2-NE 3.38Å; E574-R576 VanDerWaalsContact OE2-NE 3.16Å; E574-R576 IonicContact OE2-NH2 3.06Å; E574-R576 PolarHBondContact OE2-NH2 2.87Å; R576-G578 VanDerWaalsContact C-N 3.27Å; R576-G578 PolarHBondContact O-N 3.45Å; R576-K579 PolarHBondContact N-O 3.21Å; R576-K579 PolarHBondContact O-N 2.78Å; R576-V581 HydrophobicContact CB-CG2 3.77Å; R576-V581 HydrophobicContact CG-CG2 4.02Å
577	G	83.8	Confident	83.4	Confident	46 Å²	46	50 Å²	50	47%	0.474	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	36.5	-177.4	0	0	0	0	0	113.7	N562 D565 K579	N562-G577 PolarHBondContact ND2-O 2.81Å; D565-G577 PolarHBondContact OD1-N 2.67Å; G577-K579 VanDerWaalsContact C-N 3.33Å; G577-K579 PolarHBondContact O-N 2.96Å
578	G	79.6	Confident	83.3	Confident	9 Å²	9	53.9 Å²	53.9	9%	0.093	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	17.6	179.1	0	0	0	0	0	115.7	N562 R576	N562-G578 WeakPolarHBondContact OD1-CA 3.41Å; R576-G578 VanDerWaalsContact C-N 3.27Å; R576-G578 PolarHBondContact O-N 3.45Å
579	K	80.8	Confident	83.4	Confident	159 Å²	159	58.2 Å²	58.2	69%	0.691	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.3	138.5	171.6	-63.8	-174.5	179.7	-176	0	109.6	C575 R576 G577 V581	C575-K579 WeakPolarHBondContact CA-O 3.21Å; R576-K579 PolarHBondContact N-O 3.21Å; R576-K579 PolarHBondContact O-N 2.78Å; G577-K579 VanDerWaalsContact C-N 3.33Å; G577-K579 PolarHBondContact O-N 2.96Å; K579-V581 PolarHBondContact O-N 2.86Å
580	C	81.3	Confident	83.6	Confident	44 Å²	44	60.4 Å²	60.4	30%	0.297	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	111.1	172.6	-174.5	0	0	0	0	109.5	C544 C569 L570	C544-C580 WeakPolarHBondContact SG-CA 3.3Å; C544-C580 PolarHBondContact SG-N 3.12Å; C544-C580 VanDerWaalsContact SG-N 3.45Å; C569-C580 HydrophobicContact CB-CB 3.74Å; C569-C580 WeakPolarHBondContact CB-SG 3.18Å; C569-C580 WeakPolarHBondContact SG-CA 3.3Å; C569-C580 WeakPolarHBondContact SG-CB 3.44Å; C569-C580 CovalentContact SG-SG 2.03Å; C569-C580 PolarHBondContact SG-SG 2.92Å; L570-C580 PolarHBondContact N-SG 3.23Å; L570-C580 VanDerWaalsContact N-SG 3.41Å
581	V	87.8	Confident	84.2	Confident	22 Å²	22	61.6 Å²	61.6	13%	0.133	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	122.2	177.2	-175.6	0	0	0	0	108.5	G573 E574 R576 K579 Q585 V586	G573-V581 CarbonylContact C-O 3.55Å; G573-V581 WeakPolarHBondContact CA-O 3.42Å; E574-V581 PolarHBondContact N-O 2.04Å; E574-V581 WeakPolarHBondContact O-CB 3.44Å; E574-V581 PolarHBondContact O-N 3.01Å; R576-V581 HydrophobicContact CB-CG2 3.77Å; R576-V581 HydrophobicContact CG-CG2 4.02Å; K579-V581 PolarHBondContact O-N 2.86Å; V581-Q585 HydrophobicContact CG1-CB 3.91Å; V581-Q585 HydrophobicContact CG1-CG 3.83Å; V581-V586 HydrophobicContact CB-CG2 3.91Å; V581-V586 HydrophobicContact CG1-CG2 3.86Å; V581-V586 VanDerWaalsContact O-CG2 3.27Å; V581-V586 WeakPolarHBondContact O-CG2 3.2Å
582	P	84.3	Confident	84.8	Confident	58 Å²	58	62.2 Å²	62.2	38%	0.377	32%	0.32	S	S	.	.			trans	-58.7	143.3	-176.8	-27.9	36.2	0	0	0	113.8	C584 Q585 V586 S592	P582-C584 VanDerWaalsContact C-N 3.29Å; P582-C584 PolarHBondContact O-N 3.2Å; P582-Q585 WeakPolarHBondContact O-CB 3.23Å; P582-Q585 PolarHBondContact O-N 3.3Å; P582-V586 PolarHBondContact O-N 2.7Å; P582-V586 VanDerWaalsContact O-N 3.14Å; P582-S592 WeakPolarHBondContact CB-OG 3.26Å
583	F	87.6	Confident	85.1	Confident	29 Å²	29	60 Å²	60	13%	0.127	31%	0.31	C	S	.	.	H	α-helix	trans	-45.3	-43.2	-174.3	178.7	-84.1	0	0	0	114.9	N572 Q585 V586 V587 V604 F616 V624	N572-F583 HydrophobicContact CB-CD2 4.18Å; N572-F583 WeakPolarHBondContact O-CD2 3.44Å; F583-Q585 VanDerWaalsContact C-N 3.32Å; F583-Q585 PolarHBondContact O-N 2.85Å; F583-V586 WeakPolarHBondContact O-CB 3.33Å; F583-V586 PolarHBondContact O-N 3.16Å; F583-V587 HydrophobicContact CD1-CG2 4.33Å; F583-V587 HydrophobicContact CD2-CG2 4.05Å; F583-V587 HydrophobicContact CE1-CB 4.35Å; F583-V587 HydrophobicContact CE1-CG2 4.09Å; F583-V587 HydrophobicContact CE2-CG2 3.8Å; F583-V587 HydrophobicContact CG-CG2 4.32Å; F583-V587 HydrophobicContact CZ-CB 4.41Å; F583-V587 HydrophobicContact CZ-CG2 3.82Å; F583-V587 WeakPolarHBondContact O-CG2 3.33Å; F583-V587 PolarHBondContact O-N 3.41Å; F583-V604 HydrophobicContact CB-CG1 4.2Å; F583-V604 HydrophobicContact CD1-CB 4.39Å; F583-V604 HydrophobicContact CD1-CG1 3.52Å; F583-V604 HydrophobicContact CE1-CG1 4.19Å; F583-V604 HydrophobicContact CG-CG1 4.1Å; F583-F616 HydrophobicContact CD1-CD2 4.49Å; F583-F616 HydrophobicContact CE1-CB 4.33Å; F583-F616 AromaticContact CE1-CD1 3.69Å; F583-F616 HydrophobicContact CE1-CD1 3.69Å; F583-F616 AromaticContact CE1-CD2 3.58Å; F583-F616 HydrophobicContact CE1-CD2 3.58Å; F583-F616 AromaticContact CE1-CE1 3.78Å; F583-F616 HydrophobicContact CE1-CE1 3.78Å; F583-F616 AromaticContact CE1-CE2 3.6Å; F583-F616 HydrophobicContact CE1-CE2 3.6Å; F583-F616 AromaticContact CE1-CG 3.61Å; F583-F616 HydrophobicContact CE1-CG 3.61Å; F583-F616 AromaticContact CE1-CZ 3.74Å; F583-F616 HydrophobicContact CE1-CZ 3.74Å; F583-F616 AromaticContact CZ-CD1 3.93Å; F583-F616 HydrophobicContact CZ-CD1 3.93Å; F583-F616 HydrophobicContact CZ-CD2 4.37Å; F583-F616 AromaticContact CZ-CE1 3.63Å; F583-F616 HydrophobicContact CZ-CE1 3.63Å; F583-F616 HydrophobicContact CZ-CE2 4.04Å; F583-F616 HydrophobicContact CZ-CG 4.31Å; F583-F616 AromaticContact CZ-CZ 3.69Å; F583-F616 HydrophobicContact CZ-CZ 3.69Å; F583-V624 HydrophobicContact CE2-CG1 4.33Å; F583-V624 HydrophobicContact CE2-CG2 4.4Å; F583-V624 HydrophobicContact CZ-CB 4.35Å; F583-V624 HydrophobicContact CZ-CG1 4.34Å; F583-V624 HydrophobicContact CZ-CG2 3.85Å
584	C	87.1	Confident	85	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-64.6	-34.9	179.8	-68.9	0	0	0	0	113.4	P582 K588 K589 L590 S592 C605 C606	P582-C584 VanDerWaalsContact C-N 3.29Å; P582-C584 PolarHBondContact O-N 3.2Å; C584-K588 CarbonylContact O-C 3.55Å; C584-K588 WeakPolarHBondContact O-CA 3.27Å; C584-K588 PolarHBondContact O-N 2.86Å; C584-K589 PolarHBondContact O-N 3.45Å; C584-K589 VanDerWaalsContact O-N 3.09Å; C584-L590 CarbonylContact C-O 3.58Å; C584-L590 VanDerWaalsContact CB-O 3.31Å; C584-L590 WeakPolarHBondContact CB-O 3.33Å; C584-L590 PolarHBondContact O-N 2.87Å; C584-S592 WeakPolarHBondContact CB-OG 3.01Å; C584-C605 VanDerWaalsContact SG-C 3.56Å; C584-C605 PolarHBondContact SG-O 3.24Å; C584-C606 HydrophobicContact CB-CB 3.66Å; C584-C606 WeakPolarHBondContact CB-SG 3.4Å; C584-C606 WeakPolarHBondContact SG-CA 3.47Å; C584-C606 WeakPolarHBondContact SG-CB 3.47Å; C584-C606 CovalentContact SG-SG 2.04Å; C584-C606 PolarHBondContact SG-SG 3.3Å
585	Q	87.4	Confident	84.7	Confident	106 Å²	106	61.8 Å²	61.8	50%	0.495	33%	0.332	S	S	.	.	H	α-helix	trans	-78	-32.2	-179.5	-173.8	177.8	5.1	0	0	110.5	V581 P582 F583 K589 L590	V581-Q585 HydrophobicContact CG1-CB 3.91Å; V581-Q585 HydrophobicContact CG1-CG 3.83Å; P582-Q585 WeakPolarHBondContact O-CB 3.23Å; P582-Q585 PolarHBondContact O-N 3.3Å; F583-Q585 VanDerWaalsContact C-N 3.32Å; F583-Q585 PolarHBondContact O-N 2.85Å; Q585-K589 WeakPolarHBondContact O-CA 3.48Å; Q585-K589 PolarHBondContact O-N 2.95Å; Q585-L590 WeakPolarHBondContact CA-O 3.4Å; Q585-L590 PolarHBondContact N-O 3.12Å
586	V	84.6	Confident	84.2	Confident	16 Å²	16	69 Å²	69	10%	0.097	37%	0.371	C	S	.	.	H	α-helix	trans	-63.3	-60.5	170.3	165	0	0	0	0	111.9	E574 V581 P582 F583	E574-V586 HydrophobicContact CB-CG1 4.16Å; E574-V586 HydrophobicContact CB-CG2 3.71Å; E574-V586 HydrophobicContact CG-CG1 3.66Å; E574-V586 HydrophobicContact CG-CG2 4.16Å; E574-V586 VanDerWaalsContact OE1-CG1 3.22Å; E574-V586 WeakPolarHBondContact OE1-CG1 3.44Å; E574-V586 WeakPolarHBondContact OE2-CG1 3.07Å; V581-V586 HydrophobicContact CB-CG2 3.91Å; V581-V586 HydrophobicContact CG1-CG2 3.86Å; V581-V586 VanDerWaalsContact O-CG2 3.27Å; V581-V586 WeakPolarHBondContact O-CG2 3.2Å; P582-V586 PolarHBondContact O-N 2.7Å; P582-V586 VanDerWaalsContact O-N 3.14Å; F583-V586 WeakPolarHBondContact O-CB 3.33Å; F583-V586 PolarHBondContact O-N 3.16Å
587	V	84.3	Confident	83.8	Confident	68 Å²	68	70.3 Å²	70.3	41%	0.412	38%	0.381	S	S	.	.	H	α-helix	trans	-90	-29.4	-164	-174.5	0	0	0	0	113.1	F583 F616	F583-V587 HydrophobicContact CD1-CG2 4.33Å; F583-V587 HydrophobicContact CD2-CG2 4.05Å; F583-V587 HydrophobicContact CE1-CB 4.35Å; F583-V587 HydrophobicContact CE1-CG2 4.09Å; F583-V587 HydrophobicContact CE2-CG2 3.8Å; F583-V587 HydrophobicContact CG-CG2 4.32Å; F583-V587 HydrophobicContact CZ-CB 4.41Å; F583-V587 HydrophobicContact CZ-CG2 3.82Å; F583-V587 WeakPolarHBondContact O-CG2 3.33Å; F583-V587 PolarHBondContact O-N 3.41Å; V587-F616 HydrophobicContact CB-CE2 4.16Å; V587-F616 HydrophobicContact CG1-CE2 3.66Å; V587-F616 HydrophobicContact CG1-CZ 3.74Å
588	K	82.4	Confident	83.3	Confident	110 Å²	110	70.3 Å²	70.3	48%	0.478	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-4.8	-177.5	-60.8	-67.9	-179.2	176.1	0	114.3	C584 L590 F616	C584-K588 CarbonylContact O-C 3.55Å; C584-K588 WeakPolarHBondContact O-CA 3.27Å; C584-K588 PolarHBondContact O-N 2.86Å; K588-L590 HydrophobicContact CB-CB 4.31Å; K588-L590 HydrophobicContact CB-CD1 3.94Å; K588-L590 HydrophobicContact CB-CG 3.86Å; K588-L590 PolarHBondContact O-N 3.44Å; K588-F616 HydrophobicContact CD-CE2 4.16Å; K588-F616 HydrophobicContact CG-CD2 4.04Å; K588-F616 HydrophobicContact CG-CE2 3.77Å
589	K	85.8	Confident	83.3	Confident	187 Å²	187	76.2 Å²	76.2	81%	0.813	40%	0.402	S	S	*	.	S	Bend	trans	56.6	35	-169.5	-54.9	-177.5	-179.5	-178.5	0	112.8	C584 Q585	C584-K589 PolarHBondContact O-N 3.45Å; C584-K589 VanDerWaalsContact O-N 3.09Å; Q585-K589 WeakPolarHBondContact O-CA 3.48Å; Q585-K589 PolarHBondContact O-N 2.95Å
590	L	85.8	Confident	83.4	Confident	57 Å²	57	69 Å²	69	30%	0.298	37%	0.372	S	S	.	.			trans	-113.8	155.4	178.5	-63.3	-178.4	0	0	0	110.6	C584 Q585 K588 C606 R607	C584-L590 CarbonylContact C-O 3.58Å; C584-L590 VanDerWaalsContact CB-O 3.31Å; C584-L590 WeakPolarHBondContact CB-O 3.33Å; C584-L590 PolarHBondContact O-N 2.87Å; Q585-L590 WeakPolarHBondContact CA-O 3.4Å; Q585-L590 PolarHBondContact N-O 3.12Å; K588-L590 HydrophobicContact CB-CB 4.31Å; K588-L590 HydrophobicContact CB-CD1 3.94Å; K588-L590 HydrophobicContact CB-CG 3.86Å; K588-L590 PolarHBondContact O-N 3.44Å; L590-C606 HydrophobicContact CB-CB 4.16Å; L590-C606 HydrophobicContact CD1-CB 4.12Å; L590-R607 WeakPolarHBondContact CB-O 3.25Å; L590-R607 WeakPolarHBondContact CD2-O 3.33Å
591	E	83.8	Confident	83.5	Confident	117 Å²	117	67.3 Å²	67.3	55%	0.547	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	149.8	172	-61.4	177.4	159.7	0	0	110.7	C606 R607	E591-C606 WeakPolarHBondContact O-CA 3.23Å; E591-R607 HydrophobicContact CB-CB 4.17Å; E591-R607 PolarHBondContact O-N 3.29Å; E591-R607 WeakPolarHBondContact OE2-CD 3.39Å; E591-R607 IonicContact OE2-CZ 3.71Å; E591-R607 IonicContact OE2-NE 3.36Å; E591-R607 IonicContact OE2-NH1 3.94Å; E591-R607 PolarHBondContact OE2-NH1 3.12Å
592	S	84.1	Confident	83.4	Confident	54 Å²	54	66.3 Å²	66.3	38%	0.378	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	148.5	170.7	-57.3	0	0	0	0	110.3	P582 C584	P582-S592 WeakPolarHBondContact CB-OG 3.26Å; C584-S592 WeakPolarHBondContact CB-OG 3.01Å
593	C	85.6	Confident	83.7	Confident	28 Å²	28	64.8 Å²	64.8	19%	0.189	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	169.4	-179.4	57.5	0	0	0	0	111.4	C605 R607 C613	C593-C605 PolarHBondContact N-O 2.92Å; C593-C605 WeakPolarHBondContact O-CB 3.23Å; C593-C605 VanDerWaalsContact O-O 3.12Å; C593-C605 PolarHBondContact SG-O 3.32Å; C593-R607 HydrophobicContact CB-CB 4.43Å; C593-R607 PolarHBondContact SG-N 3.4Å; C593-R607 VanDerWaalsContact SG-N 3.36Å; C593-C613 VanDerWaalsContact C-SG 3.6Å; C593-C613 HydrophobicContact CB-CB 3.87Å; C593-C613 WeakPolarHBondContact CB-SG 3.31Å; C593-C613 WeakPolarHBondContact SG-CA 3.36Å; C593-C613 WeakPolarHBondContact SG-CB 3.4Å; C593-C613 CovalentContact SG-SG 2.02Å; C593-C613 PolarHBondContact SG-SG 2.97Å
594	A	81.8	Confident	83.8	Confident	78 Å²	78	63.8 Å²	63.8	65%	0.645	34%	0.338	S	S	*	.			trans	-94.9	134.6	172.4	0	0	0	0	0	110.8	C613	A594-C613 PolarHBondContact O-SG 3.23Å
595	C	84.8	Confident	83.9	Confident	8 Å²	8	64 Å²	64	5%	0.054	34%	0.339	C	S	.	.			trans	-78.5	130.3	171.4	-79.6	0	0	0	0	111.3	E597 S601 C605 T633	C595-E597 VanDerWaalsContact C-N 3.29Å; C595-E597 PolarHBondContact O-N 3.36Å; C595-S601 VanDerWaalsContact O-CB 3.24Å; C595-S601 WeakPolarHBondContact O-CB 3.25Å; C595-C605 HydrophobicContact CB-CB 4.12Å; C595-C605 WeakPolarHBondContact CB-SG 3.46Å; C595-C605 WeakPolarHBondContact SG-CB 3.3Å; C595-C605 CovalentContact SG-SG 2.03Å; C595-C605 PolarHBondContact SG-SG 2.03Å; C595-T633 WeakPolarHBondContact O-CG2 3.32Å
596	N	76.5	Confident	84	Confident	151 Å²	151	59.1 Å²	59.1	81%	0.807	32%	0.317	S	S	*	.	S	Bend	trans	-74.5	-12.3	-179.1	-64.1	-1.9	0	0	0	114.4	T633	N596-T633 WeakPolarHBondContact O-CG2 3.38Å
597	E	80.3	Confident	84.2	Confident	129 Å²	129	63 Å²	63	60%	0.603	33%	0.33	S	S	*	.	S	Bend	trans	-87.9	133.8	178.2	-58.2	176.1	153.1	0	0	111.3	C595 N599 S600 S601	C595-E597 VanDerWaalsContact C-N 3.29Å; C595-E597 PolarHBondContact O-N 3.36Å; E597-N599 VanDerWaalsContact C-N 3.29Å; E597-N599 PolarHBondContact O-N 2.93Å; E597-S600 CarbonylContact O-C 3.39Å; E597-S600 PolarHBondContact O-N 3.48Å; E597-S600 PolarHBondContact OE2-OG 3.3Å; E597-S601 WeakPolarHBondContact O-CB 3.07Å; E597-S601 PolarHBondContact O-N 2.59Å; E597-S601 PolarHBondContact O-OG 2.72Å
598	T	73.6	Confident	84.3	Confident	46 Å²	46	60.8 Å²	60.8	28%	0.282	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-41	178.9	-59	0	0	0	0	114.1	S600 S601 T633 V634 C643	T598-S600 PolarHBondContact O-N 3.12Å; T598-S601 PolarHBondContact O-OG 3.05Å; T598-T633 VanDerWaalsContact CA-OG1 3.24Å; T598-T633 WeakPolarHBondContact CA-OG1 3.24Å; T598-T633 PolarHBondContact OG1-OG1 3.41Å; T598-T633 VanDerWaalsContact OG1-OG1 3.14Å; T598-V634 HydrophobicContact CG2-CG2 3.54Å; T598-C643 HydrophobicContact CG2-CB 4.1Å; T598-C643 WeakPolarHBondContact O-CB 3.26Å
599	N	79.9	Confident	84.1	Confident	134 Å²	134	62 Å²	62	72%	0.717	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-5.1	179.5	-62.4	-12.3	0	0	0	114.2	E597 K603	E597-N599 VanDerWaalsContact C-N 3.29Å; E597-N599 PolarHBondContact O-N 2.93Å; N599-K603 VanDerWaalsContact O-CE 3.24Å; N599-K603 WeakPolarHBondContact O-CE 3.34Å; N599-K603 PolarHBondContact O-NZ 2.97Å
600	S	83.6	Confident	83.9	Confident	8 Å²	8	58.8 Å²	58.8	6%	0.056	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-16.7	179.8	-55.6	0	0	0	0	112.6	E597 T598 C602 K603	E597-S600 CarbonylContact O-C 3.39Å; E597-S600 PolarHBondContact O-N 3.48Å; E597-S600 PolarHBondContact OE2-OG 3.3Å; T598-S600 PolarHBondContact O-N 3.12Å; S600-C602 PolarHBondContact O-N 3.44Å; S600-C602 VanDerWaalsContact O-N 3.13Å; S600-K603 WeakPolarHBondContact O-CB 3.49Å; S600-K603 PolarHBondContact O-N 3.08Å
601	S	81.7	Confident	83.7	Confident	8 Å²	8	58.3 Å²	58.3	6%	0.056	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-11.1	-175.3	61.8	0	0	0	0	116	C595 E597 T598 T633	C595-S601 VanDerWaalsContact O-CB 3.24Å; C595-S601 WeakPolarHBondContact O-CB 3.25Å; E597-S601 WeakPolarHBondContact O-CB 3.07Å; E597-S601 PolarHBondContact O-N 2.59Å; E597-S601 PolarHBondContact O-OG 2.72Å; T598-S601 PolarHBondContact O-OG 3.05Å; S601-T633 VanDerWaalsContact CB-CG2 3.48Å; S601-T633 PolarHBondContact OG-N 3.17Å; S601-T633 PolarHBondContact OG-OG1 2.73Å; S601-T633 VanDerWaalsContact OG-OG1 3.04Å
602	C	86.9	Confident	83.8	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	14.6	171.2	-74.1	0	0	0	0	114.4	S600 L626 C632 C637 G641 C643	S600-C602 PolarHBondContact O-N 3.44Å; S600-C602 VanDerWaalsContact O-N 3.13Å; C602-L626 PolarHBondContact O-N 3.01Å; C602-C632 WeakPolarHBondContact SG-CB 3.3Å; C602-C637 WeakPolarHBondContact CA-SG 3.32Å; C602-C637 HydrophobicContact CB-CB 3.8Å; C602-C637 WeakPolarHBondContact CB-SG 3.34Å; C602-C637 WeakPolarHBondContact SG-CA 3.43Å; C602-C637 WeakPolarHBondContact SG-CB 3.32Å; C602-C637 CovalentContact SG-SG 2.04Å; C602-C637 PolarHBondContact SG-SG 3.25Å; C602-G641 WeakPolarHBondContact CB-O 3.26Å; C602-C643 WeakPolarHBondContact SG-CA 3.43Å
603	K	90.4	Very high	84	Confident	27 Å²	27	55.9 Å²	55.9	12%	0.117	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-101.8	152.4	172	-56.2	175.3	179.9	174.7	0	108.7	N599 S600 C605 P615 F623 V624 Y625 L626	N599-K603 VanDerWaalsContact O-CE 3.24Å; N599-K603 WeakPolarHBondContact O-CE 3.34Å; N599-K603 PolarHBondContact O-NZ 2.97Å; S600-K603 WeakPolarHBondContact O-CB 3.49Å; S600-K603 PolarHBondContact O-N 3.08Å; K603-C605 PolarHBondContact O-N 3.21Å; K603-C605 PolarHBondContact O-SG 2.88Å; K603-C605 VanDerWaalsContact O-SG 3.39Å; K603-P615 HydrophobicContact CB-CB 4.05Å; K603-P615 HydrophobicContact CD-CB 3.8Å; K603-F623 HydrophobicContact CD-CB 4.03Å; K603-F623 HydrophobicContact CD-CD1 3.55Å; K603-F623 HydrophobicContact CD-CD2 4.32Å; K603-F623 HydrophobicContact CD-CE1 4.01Å; K603-F623 HydrophobicContact CD-CG 3.71Å; K603-F623 HydrophobicContact CG-CB 4.32Å; K603-F623 VanDerWaalsContact NZ-CE2 3.32Å; K603-F623 VanDerWaalsContact NZ-CZ 3.32Å; K603-V624 CarbonylContact C-O 3.58Å; K603-V624 WeakPolarHBondContact CA-O 3.29Å; K603-Y625 HydrophobicContact CG-CD1 4Å; K603-Y625 HydrophobicContact CG-CE1 4.02Å; K603-L626 WeakPolarHBondContact O-CD1 3.44Å
604	V	88.6	Confident	84.1	Confident	8 Å²	8	57.4 Å²	57.4	5%	0.048	35%	0.346	C	S	.	.			trans	-64.1	120.3	167.6	180	0	0	0	0	107.5	F583 F616 V624 L626	F583-V604 HydrophobicContact CB-CG1 4.2Å; F583-V604 HydrophobicContact CD1-CB 4.39Å; F583-V604 HydrophobicContact CD1-CG1 3.52Å; F583-V604 HydrophobicContact CE1-CG1 4.19Å; F583-V604 HydrophobicContact CG-CG1 4.1Å; V604-F616 VanDerWaalsContact O-CB 3.31Å; V604-F616 WeakPolarHBondContact O-CB 3.43Å; V604-F616 PolarHBondContact O-N 3.21Å; V604-V624 HydrophobicContact CB-CB 4.39Å; V604-V624 HydrophobicContact CB-CG1 4.43Å; V604-V624 HydrophobicContact CG2-CB 4.16Å; V604-V624 HydrophobicContact CG2-CG1 3.71Å; V604-V624 PolarHBondContact N-O 3.48Å; V604-L626 HydrophobicContact CB-CD2 4.49Å; V604-L626 HydrophobicContact CG2-CD2 3.78Å
605	C	89.2	Confident	84.5	Confident	3 Å²	3	55.4 Å²	55.4	2%	0.02	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	138.9	-179.3	-60.3	0	0	0	0	111.4	C584 C593 C595 K603 C613 S614 P615	C584-C605 VanDerWaalsContact SG-C 3.56Å; C584-C605 PolarHBondContact SG-O 3.24Å; C593-C605 PolarHBondContact N-O 2.92Å; C593-C605 WeakPolarHBondContact O-CB 3.23Å; C593-C605 VanDerWaalsContact O-O 3.12Å; C593-C605 PolarHBondContact SG-O 3.32Å; C595-C605 HydrophobicContact CB-CB 4.12Å; C595-C605 WeakPolarHBondContact CB-SG 3.46Å; C595-C605 WeakPolarHBondContact SG-CB 3.3Å; C595-C605 CovalentContact SG-SG 2.03Å; C595-C605 PolarHBondContact SG-SG 2.03Å; K603-C605 PolarHBondContact O-N 3.21Å; K603-C605 PolarHBondContact O-SG 2.88Å; K603-C605 VanDerWaalsContact O-SG 3.39Å; C605-C613 WeakPolarHBondContact CB-SG 3.49Å; C605-S614 CarbonylContact C-O 3.4Å; C605-S614 VanDerWaalsContact CA-O 3.22Å; C605-S614 WeakPolarHBondContact CA-O 3.33Å; C605-S614 WeakPolarHBondContact CB-O 3.27Å; C605-P615 VanDerWaalsContact SG-CA 3.57Å
606	C	90.8	Very high	84.7	Confident	5 Å²	5	55.6 Å²	55.6	3%	0.034	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	141.9	-175.2	-52.5	0	0	0	0	110.7	C584 L590 E591 S614	C584-C606 HydrophobicContact CB-CB 3.66Å; C584-C606 WeakPolarHBondContact CB-SG 3.4Å; C584-C606 WeakPolarHBondContact SG-CA 3.47Å; C584-C606 WeakPolarHBondContact SG-CB 3.47Å; C584-C606 CovalentContact SG-SG 2.04Å; C584-C606 PolarHBondContact SG-SG 3.3Å; L590-C606 HydrophobicContact CB-CB 4.16Å; L590-C606 HydrophobicContact CD1-CB 4.12Å; E591-C606 WeakPolarHBondContact O-CA 3.23Å; C606-S614 PolarHBondContact N-O 3.19Å; C606-S614 PolarHBondContact O-N 3.13Å
607	R	89.1	Confident	85.2	Confident	98 Å²	98	51.4 Å²	51.4	37%	0.37	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	113.6	179.4	-176.6	176.1	-74.2	138.9	0.1	109.6	L590 E591 C593 V612	L590-R607 WeakPolarHBondContact CB-O 3.25Å; L590-R607 WeakPolarHBondContact CD2-O 3.33Å; E591-R607 HydrophobicContact CB-CB 4.17Å; E591-R607 PolarHBondContact O-N 3.29Å; E591-R607 WeakPolarHBondContact OE2-CD 3.39Å; E591-R607 IonicContact OE2-CZ 3.71Å; E591-R607 IonicContact OE2-NE 3.36Å; E591-R607 IonicContact OE2-NH1 3.94Å; E591-R607 PolarHBondContact OE2-NH1 3.12Å; C593-R607 HydrophobicContact CB-CB 4.43Å; C593-R607 PolarHBondContact SG-N 3.4Å; C593-R607 VanDerWaalsContact SG-N 3.36Å; R607-V612 WeakPolarHBondContact CA-O 3.02Å
608	G	86.1	Confident	85.3	Confident	20 Å²	20	47.9 Å²	47.9	21%	0.206	29%	0.292	C	S	.	.			trans	-64.1	164.6	174.2	0	0	0	0	0	112.5	N610 G611 V612	G608-N610 PolarHBondContact O-N 3.02Å; G608-G611 PolarHBondContact O-N 3.27Å; G608-V612 PolarHBondContact N-O 2.92Å
609	S	78.8	Confident	85.6	Confident	135 Å²	135	52.4 Å²	52.4	94%	0.944	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-9.9	177	51.6	0	0	0	0	114.5
610	N	81.1	Confident	85.7	Confident	120 Å²	120	54.1 Å²	54.1	64%	0.642	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	5.1	170.1	63.8	-9.4	0	0	0	113.6	G608 V612	G608-N610 PolarHBondContact O-N 3.02Å; N610-V612 VanDerWaalsContact C-N 3.26Å; N610-V612 PolarHBondContact O-N 2.85Å; N610-V612 WeakPolarHBondContact OD1-CB 3.49Å; N610-V612 PolarHBondContact OD1-N 2.87Å; N610-V612 VanDerWaalsContact OD1-N 3.14Å
611	G	80.6	Confident	85.7	Confident	48 Å²	48	56 Å²	56	50%	0.495	34%	0.34	S	S	.	.	S	Bend	trans	79.6	-5.2	-177.3	0	0	0	0	0	115.4	G608	G608-G611 PolarHBondContact O-N 3.27Å
612	V	86.1	Confident	85.8	Confident	82 Å²	82	60.3 Å²	60.3	50%	0.497	36%	0.363	S	S	.	.			trans	-79.3	131.2	-177.7	-179.4	0	0	0	0	110.3	R607 G608 N610	R607-V612 WeakPolarHBondContact CA-O 3.02Å; G608-V612 PolarHBondContact N-O 2.92Å; N610-V612 VanDerWaalsContact C-N 3.26Å; N610-V612 PolarHBondContact O-N 2.85Å; N610-V612 WeakPolarHBondContact OD1-CB 3.49Å; N610-V612 PolarHBondContact OD1-N 2.87Å; N610-V612 VanDerWaalsContact OD1-N 3.14Å
613	C	87.7	Confident	85.9	Confident	38 Å²	38	63.8 Å²	63.8	26%	0.257	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	129.3	172.5	-168.7	0	0	0	0	110.7	C593 A594 C605	C593-C613 VanDerWaalsContact C-SG 3.6Å; C593-C613 HydrophobicContact CB-CB 3.87Å; C593-C613 WeakPolarHBondContact CB-SG 3.31Å; C593-C613 WeakPolarHBondContact SG-CA 3.36Å; C593-C613 WeakPolarHBondContact SG-CB 3.4Å; C593-C613 CovalentContact SG-SG 2.02Å; C593-C613 PolarHBondContact SG-SG 2.97Å; A594-C613 PolarHBondContact O-SG 3.23Å; C605-C613 WeakPolarHBondContact CB-SG 3.49Å
614	S	89.4	Confident	85.7	Confident	60 Å²	60	64.1 Å²	64.1	42%	0.42	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	152	177.8	59	0	0	0	0	112.2	C605 C606	C605-S614 CarbonylContact C-O 3.4Å; C605-S614 VanDerWaalsContact CA-O 3.22Å; C605-S614 WeakPolarHBondContact CA-O 3.33Å; C605-S614 WeakPolarHBondContact CB-O 3.27Å; C606-S614 PolarHBondContact N-O 3.19Å; C606-S614 PolarHBondContact O-N 3.13Å
615	P	89.9	Confident	85.6	Confident	36 Å²	36	68.1 Å²	68.1	23%	0.234	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	136.2	-179.1	28.5	-33.9	0	0	0	111.1	K603 C605 F623	K603-P615 HydrophobicContact CB-CB 4.05Å; K603-P615 HydrophobicContact CD-CB 3.8Å; C605-P615 VanDerWaalsContact SG-CA 3.57Å; P615-F623 HydrophobicContact CB-CD1 4.27Å; P615-F623 HydrophobicContact CB-CE1 4.21Å; P615-F623 HydrophobicContact CG-CE1 4.21Å
616	F	88.5	Confident	85.2	Confident	12 Å²	12	68.8 Å²	68.8	5%	0.053	40%	0.4	C	S	.	.			trans	-69.9	138.5	175.1	178.4	-83.1	0	0	0	111.1	F583 V587 K588 V604 D618 F623 V624	F583-F616 HydrophobicContact CD1-CD2 4.49Å; F583-F616 HydrophobicContact CE1-CB 4.33Å; F583-F616 AromaticContact CE1-CD1 3.69Å; F583-F616 HydrophobicContact CE1-CD1 3.69Å; F583-F616 AromaticContact CE1-CD2 3.58Å; F583-F616 HydrophobicContact CE1-CD2 3.58Å; F583-F616 AromaticContact CE1-CE1 3.78Å; F583-F616 HydrophobicContact CE1-CE1 3.78Å; F583-F616 AromaticContact CE1-CE2 3.6Å; F583-F616 HydrophobicContact CE1-CE2 3.6Å; F583-F616 AromaticContact CE1-CG 3.61Å; F583-F616 HydrophobicContact CE1-CG 3.61Å; F583-F616 AromaticContact CE1-CZ 3.74Å; F583-F616 HydrophobicContact CE1-CZ 3.74Å; F583-F616 AromaticContact CZ-CD1 3.93Å; F583-F616 HydrophobicContact CZ-CD1 3.93Å; F583-F616 HydrophobicContact CZ-CD2 4.37Å; F583-F616 AromaticContact CZ-CE1 3.63Å; F583-F616 HydrophobicContact CZ-CE1 3.63Å; F583-F616 HydrophobicContact CZ-CE2 4.04Å; F583-F616 HydrophobicContact CZ-CG 4.31Å; F583-F616 AromaticContact CZ-CZ 3.69Å; F583-F616 HydrophobicContact CZ-CZ 3.69Å; V587-F616 HydrophobicContact CB-CE2 4.16Å; V587-F616 HydrophobicContact CG1-CE2 3.66Å; V587-F616 HydrophobicContact CG1-CZ 3.74Å; K588-F616 HydrophobicContact CD-CE2 4.16Å; K588-F616 HydrophobicContact CG-CD2 4.04Å; K588-F616 HydrophobicContact CG-CE2 3.77Å; V604-F616 VanDerWaalsContact O-CB 3.31Å; V604-F616 WeakPolarHBondContact O-CB 3.43Å; V604-F616 PolarHBondContact O-N 3.21Å; F616-D618 HydrophobicContact CE1-CB 4.14Å; F616-F623 WeakPolarHBondContact O-CD1 3.37Å; F616-V624 HydrophobicContact CD1-CB 4.28Å; F616-V624 HydrophobicContact CD1-CG2 3.76Å; F616-V624 HydrophobicContact CE1-CG2 3.84Å
617	V	87.4	Confident	84.3	Confident	63 Å²	63	73.4 Å²	73.4	38%	0.382	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-123.4	130.2	173	-172.4	0	0	0	0	108.4	G621 D622 F623	V617-G621 VanDerWaalsContact CG1-C 3.47Å; V617-G621 WeakPolarHBondContact CG1-O 3.29Å; V617-D622 WeakPolarHBondContact CA-O 3.37Å; V617-F623 HydrophobicContact CG2-CD1 3.91Å; V617-F623 HydrophobicContact CG2-CE1 3.63Å; V617-F623 HydrophobicContact CG2-CZ 4.46Å
618	D	81.6	Confident	83.3	Confident	55 Å²	55	75.7 Å²	75.7	29%	0.294	43%	0.43	S	S	.	.			trans	-71.1	165.3	175.8	-177.5	45.8	0	0	0	111.9	F616 K620 G621 D622	F616-D618 HydrophobicContact CE1-CB 4.14Å; D618-K620 PolarHBondContact O-N 3.25Å; D618-K620 PolarHBondContact OD2-N 2.86Å; D618-G621 PolarHBondContact O-N 2.86Å; D618-D622 PolarHBondContact N-O 3.5Å
619	V	81	Confident	81.9	Confident	140 Å²	140	76 Å²	76	85%	0.848	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-17.6	174.9	-70.6	0	0	0	0	114.2
620	K	82.1	Confident	81.2	Confident	170 Å²	170	72.7 Å²	72.7	74%	0.739	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-14.3	172.5	-66	171.7	-175.3	167.6	0	114.7	D618 D622	D618-K620 PolarHBondContact O-N 3.25Å; D618-K620 PolarHBondContact OD2-N 2.86Å; K620-D622 WeakPolarHBondContact CB-OD2 3.14Å
621	G	82.3	Confident	80.3	Confident	47 Å²	47	71.2 Å²	71.2	49%	0.485	40%	0.398	S	S	.	.	S	Bend	trans	95.1	-2.9	-170.3	0	0	0	0	0	114.7	V617 D618	V617-G621 VanDerWaalsContact CG1-C 3.47Å; V617-G621 WeakPolarHBondContact CG1-O 3.29Å; D618-G621 PolarHBondContact O-N 2.86Å
622	D	85.1	Confident	80	Confident	100 Å²	100	70 Å²	70	54%	0.535	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-79.3	149.5	179.6	-63.1	-55.1	0	0	0	112.5	V617 D618 K620	V617-D622 WeakPolarHBondContact CA-O 3.37Å; D618-D622 PolarHBondContact N-O 3.5Å; K620-D622 WeakPolarHBondContact CB-OD2 3.14Å
623	F	87.4	Confident	79.4	Confident	73 Å²	73	69 Å²	69	32%	0.32	38%	0.376	S	S	.	.	B	Isolated β-bridge	trans	-88.1	139.2	171.7	-64.7	-74.8	0	0	0	110.9	K603 P615 F616 V617 Y625	K603-F623 HydrophobicContact CD-CB 4.03Å; K603-F623 HydrophobicContact CD-CD1 3.55Å; K603-F623 HydrophobicContact CD-CD2 4.32Å; K603-F623 HydrophobicContact CD-CE1 4.01Å; K603-F623 HydrophobicContact CD-CG 3.71Å; K603-F623 HydrophobicContact CG-CB 4.32Å; K603-F623 VanDerWaalsContact NZ-CE2 3.32Å; K603-F623 VanDerWaalsContact NZ-CZ 3.32Å; P615-F623 HydrophobicContact CB-CD1 4.27Å; P615-F623 HydrophobicContact CB-CE1 4.21Å; P615-F623 HydrophobicContact CG-CE1 4.21Å; F616-F623 WeakPolarHBondContact O-CD1 3.37Å; V617-F623 HydrophobicContact CG2-CD1 3.91Å; V617-F623 HydrophobicContact CG2-CE1 3.63Å; V617-F623 HydrophobicContact CG2-CZ 4.46Å; F623-Y625 HydrophobicContact CB-CD1 4.39Å; F623-Y625 HydrophobicContact CB-CE1 3.68Å
624	V	86.9	Confident	78.5	Confident	34 Å²	34	69.7 Å²	69.7	21%	0.206	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-87.1	128.7	169	-177.5	0	0	0	0	109	F583 K603 V604 F616	F583-V624 HydrophobicContact CE2-CG1 4.33Å; F583-V624 HydrophobicContact CE2-CG2 4.4Å; F583-V624 HydrophobicContact CZ-CB 4.35Å; F583-V624 HydrophobicContact CZ-CG1 4.34Å; F583-V624 HydrophobicContact CZ-CG2 3.85Å; K603-V624 CarbonylContact C-O 3.58Å; K603-V624 WeakPolarHBondContact CA-O 3.29Å; V604-V624 HydrophobicContact CB-CB 4.39Å; V604-V624 HydrophobicContact CB-CG1 4.43Å; V604-V624 HydrophobicContact CG2-CB 4.16Å; V604-V624 HydrophobicContact CG2-CG1 3.71Å; V604-V624 PolarHBondContact N-O 3.48Å; F616-V624 HydrophobicContact CD1-CB 4.28Å; F616-V624 HydrophobicContact CD1-CG2 3.76Å; F616-V624 HydrophobicContact CE1-CG2 3.84Å
625	Y	87.7	Confident	77.6	Confident	91 Å²	91	67.5 Å²	67.5	36%	0.357	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-98.7	154.8	-175.5	-57.3	-56.3	0	0	0	113.1	K603 F623	K603-Y625 HydrophobicContact CG-CD1 4Å; K603-Y625 HydrophobicContact CG-CE1 4.02Å; F623-Y625 HydrophobicContact CB-CD1 4.39Å; F623-Y625 HydrophobicContact CB-CE1 3.68Å
626	L	79.2	Confident	76.6	Confident	17 Å²	17	68 Å²	68	9%	0.089	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-81.4	151.1	174.7	-66.6	174.5	0	0	0	110.8	C602 K603 V604 K630	C602-L626 PolarHBondContact O-N 3.01Å; K603-L626 WeakPolarHBondContact O-CD1 3.44Å; V604-L626 HydrophobicContact CB-CD2 4.49Å; V604-L626 HydrophobicContact CG2-CD2 3.78Å; L626-K630 HydrophobicContact CB-CB 4.38Å; L626-K630 HydrophobicContact CB-CD 4.09Å; L626-K630 HydrophobicContact CD1-CD 3.9Å; L626-K630 HydrophobicContact CD1-CG 4.5Å; L626-K630 HydrophobicContact CD2-CD 3.98Å; L626-K630 HydrophobicContact CG-CD 4.2Å
627	R	73.3	Confident	75.9	Confident	103 Å²	103	67.6 Å²	67.6	39%	0.389	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-58.1	149.2	179.5	69	178.8	177.4	107.2	-0.6	111.7	E172 D571 G629 K630	E172-R627 IonicContact OE1-NH1 2.73Å; E172-R627 IonicContact OE2-NH1 3.97Å; E172-R627 IonicContact OE2-NH2 3.73Å; E172-R627 PolarHBondContact OE2-NH2 3.29Å; D571-R627 WeakPolarHBondContact OD1-CD 3.45Å; D571-R627 WeakPolarHBondContact OD1-CG 3.36Å; D571-R627 IonicContact OD1-NE 3.79Å; D571-R627 PolarHBondContact OD1-NE 3.24Å; R627-G629 PolarHBondContact O-N 3.41Å; R627-K630 HydrophobicContact CG-CB 4.45Å; R627-K630 WeakPolarHBondContact O-CB 3.28Å; R627-K630 PolarHBondContact O-N 2.67Å
628	K	68.1	Low	75.4	Confident	145 Å²	145	66.9 Å²	66.9	63%	0.63	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	138.4	173.2	-175.2	-172.5	173.4	-160.6	0	109.5	K630 C637	K628-K630 VanDerWaalsContact C-N 3.34Å; K628-C637 CarbonylContact C-O 3.56Å; K628-C637 WeakPolarHBondContact CA-O 3.16Å
629	G	55.8	Low	75.1	Confident	26 Å²	26	66 Å²	66	27%	0.268	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	-4.7	-179.8	0	0	0	0	0	114.9	R627 F636 C637	R627-G629 PolarHBondContact O-N 3.41Å; G629-F636 WeakPolarHBondContact O-CD1 3.31Å; G629-C637 PolarHBondContact N-O 3.09Å
630	K	63.8	Low	75	Confident	66 Å²	66	62.5 Å²	62.5	29%	0.287	35%	0.347	S	S	.	.			trans	-69.4	134.3	171.1	-171.7	162.5	174.1	177	0	110.5	D571 L626 R627 K628 C637	D571-K630 VanDerWaalsContact OD2-CD 3.29Å; D571-K630 WeakPolarHBondContact OD2-CD 3.22Å; D571-K630 WeakPolarHBondContact OD2-CE 3.41Å; D571-K630 IonicContact OD2-NZ 3.26Å; D571-K630 PolarHBondContact OD2-NZ 2.89Å; L626-K630 HydrophobicContact CB-CB 4.38Å; L626-K630 HydrophobicContact CB-CD 4.09Å; L626-K630 HydrophobicContact CD1-CD 3.9Å; L626-K630 HydrophobicContact CD1-CG 4.5Å; L626-K630 HydrophobicContact CD2-CD 3.98Å; L626-K630 HydrophobicContact CG-CD 4.2Å; R627-K630 HydrophobicContact CG-CB 4.45Å; R627-K630 WeakPolarHBondContact O-CB 3.28Å; R627-K630 PolarHBondContact O-N 2.67Å; K628-K630 VanDerWaalsContact C-N 3.34Å; K630-C637 PolarHBondContact O-N 2.82Å; K630-C637 PolarHBondContact O-SG 3.28Å
631	P	61.6	Low	74.9	Confident	90 Å²	90	54.9 Å²	54.9	58%	0.584	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.5	148.5	177.2	23.8	-35.4	0	0	0	112.6	F636	P631-F636 HydrophobicContact CB-CD1 4.2Å; P631-F636 HydrophobicContact CB-CE1 3.99Å
632	C	74.4	Confident	74.8	Confident	23 Å²	23	59.2 Å²	59.2	16%	0.155	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	173.3	179.8	65.9	0	0	0	0	110.2	C602 V634 G635 F636 C643	C602-C632 WeakPolarHBondContact SG-CB 3.3Å; C632-V634 PolarHBondContact O-N 3.21Å; C632-G635 PolarHBondContact N-O 3.41Å; C632-G635 PolarHBondContact O-N 3.36Å; C632-G635 VanDerWaalsContact O-O 3.1Å; C632-G635 PolarHBondContact SG-O 3.24Å; C632-F636 VanDerWaalsContact SG-C 3.52Å; C632-F636 PolarHBondContact SG-N 3.41Å; C632-F636 VanDerWaalsContact SG-N 3.44Å; C632-C643 HydrophobicContact CB-CB 3.86Å; C632-C643 WeakPolarHBondContact CB-SG 3.49Å; C632-C643 WeakPolarHBondContact SG-CA 3.2Å; C632-C643 WeakPolarHBondContact SG-CB 3.32Å; C632-C643 CovalentContact SG-SG 2.03Å; C632-C643 PolarHBondContact SG-SG 3.25Å
633	T	73.9	Confident	74.4	Confident	61 Å²	61	55 Å²	55	37%	0.374	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-19.1	-166	52.6	0	0	0	0	117.6	C595 N596 T598 S601	C595-T633 WeakPolarHBondContact O-CG2 3.32Å; N596-T633 WeakPolarHBondContact O-CG2 3.38Å; T598-T633 VanDerWaalsContact CA-OG1 3.24Å; T598-T633 WeakPolarHBondContact CA-OG1 3.24Å; T598-T633 PolarHBondContact OG1-OG1 3.41Å; T598-T633 VanDerWaalsContact OG1-OG1 3.14Å; S601-T633 VanDerWaalsContact CB-CG2 3.48Å; S601-T633 PolarHBondContact OG-N 3.17Å; S601-T633 PolarHBondContact OG-OG1 2.73Å; S601-T633 VanDerWaalsContact OG-OG1 3.04Å
634	V	69.3	Low	73.3	Confident	51 Å²	51	56.3 Å²	56.3	31%	0.309	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.6	19.8	-174	-64.7	0	0	0	0	112.9	T598 C632 C643 K645	T598-V634 HydrophobicContact CG2-CG2 3.54Å; C632-V634 PolarHBondContact O-N 3.21Å; V634-C643 HydrophobicContact CG2-CB 4.43Å; V634-C643 WeakPolarHBondContact CG2-SG 3.09Å; V634-K645 HydrophobicContact CB-CD 4.4Å; V634-K645 HydrophobicContact CB-CG 3.9Å; V634-K645 HydrophobicContact CG2-CD 4.2Å; V634-K645 HydrophobicContact CG2-CG 3.49Å; V634-K645 VanDerWaalsContact CG2-CG 3.49Å; V634-K645 WeakPolarHBondContact O-CA 3.38Å
635	G	70.2	Confident	71.7	Confident	14 Å²	14	61.1 Å²	61.1	14%	0.144	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	151.7	-133.7	-176	0	0	0	0	0	112.2	C632 M644	C632-G635 PolarHBondContact N-O 3.41Å; C632-G635 PolarHBondContact O-N 3.36Å; C632-G635 VanDerWaalsContact O-O 3.1Å; C632-G635 PolarHBondContact SG-O 3.24Å; G635-M644 WeakPolarHBondContact CA-O 3.38Å
636	F	68.4	Low	69.8	Low	46 Å²	46	60.8 Å²	60.8	20%	0.202	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	155.2	-174.4	-63.6	-86	0	0	0	113.7	D41 G629 P631 C632 M644	D41-F636 VanDerWaalsContact CG-CD2 3.49Å; D41-F636 VanDerWaalsContact CG-CE2 3.48Å; D41-F636 VanDerWaalsContact OD1-CD2 3.27Å; D41-F636 WeakPolarHBondContact OD1-CD2 3.28Å; D41-F636 WeakPolarHBondContact OD2-CD2 3.42Å; D41-F636 WeakPolarHBondContact OD2-CE2 3.27Å; G629-F636 WeakPolarHBondContact O-CD1 3.31Å; P631-F636 HydrophobicContact CB-CD1 4.2Å; P631-F636 HydrophobicContact CB-CE1 3.99Å; C632-F636 VanDerWaalsContact SG-C 3.52Å; C632-F636 PolarHBondContact SG-N 3.41Å; C632-F636 VanDerWaalsContact SG-N 3.44Å; F636-M644 PolarHBondContact N-O 3.46Å; F636-M644 PolarHBondContact O-N 2.89Å
637	C	75.1	Confident	68	Low	4 Å²	4	66.6 Å²	66.6	3%	0.027	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	136.8	178	-58.5	0	0	0	0	112.6	C602 K628 G629 K630 G639	C602-C637 WeakPolarHBondContact CA-SG 3.32Å; C602-C637 HydrophobicContact CB-CB 3.8Å; C602-C637 WeakPolarHBondContact CB-SG 3.34Å; C602-C637 WeakPolarHBondContact SG-CA 3.43Å; C602-C637 WeakPolarHBondContact SG-CB 3.32Å; C602-C637 CovalentContact SG-SG 2.04Å; C602-C637 PolarHBondContact SG-SG 3.25Å; K628-C637 CarbonylContact C-O 3.56Å; K628-C637 WeakPolarHBondContact CA-O 3.16Å; G629-C637 PolarHBondContact N-O 3.09Å; K630-C637 PolarHBondContact O-N 2.82Å; K630-C637 PolarHBondContact O-SG 3.28Å; C637-G639 VanDerWaalsContact C-N 3.32Å
638	D	76.5	Confident	66.3	Low	49 Å²	49	66.4 Å²	66.4	26%	0.262	37%	0.368	S	S	.	.			trans	-78.6	-12.5	174.9	64.2	-8.8	0	0	0	114.3	A640 G641 K642 M644	D638-A640 VanDerWaalsContact C-N 3.34Å; D638-A640 WeakPolarHBondContact OD1-CA 3.35Å; D638-A640 PolarHBondContact OD1-N 3.39Å; D638-G641 PolarHBondContact OD1-N 2.89Å; D638-K642 PolarHBondContact N-O 2.92Å; D638-K642 PolarHBondContact OD1-N 2.88Å; D638-K642 WeakPolarHBondContact OD2-CB 3.44Å; D638-M644 HydrophobicContact CB-CE 4.49Å; D638-M644 HydrophobicContact CB-CG 4.13Å; D638-M644 HydrophobicContact CB-SD 4.17Å
639	G	74.4	Confident	64.9	Low	35 Å²	35	64.2 Å²	64.2	36%	0.361	36%	0.363	S	S	.	.	S	Bend	trans	90.6	-11.2	-171.6	0	0	0	0	0	114.3	C637	C637-G639 VanDerWaalsContact C-N 3.32Å
640	A	80.4	Confident	64.1	Low	67 Å²	67	68.6 Å²	68.6	55%	0.554	38%	0.384	S	S	*	.	S	Bend	trans	-104	7	175.1	0	0	0	0	0	112.8	D638	D638-A640 VanDerWaalsContact C-N 3.34Å; D638-A640 WeakPolarHBondContact OD1-CA 3.35Å; D638-A640 PolarHBondContact OD1-N 3.39Å
641	G	78.4	Confident	63.4	Low	10 Å²	10	69.1 Å²	69.1	10%	0.103	39%	0.393	C	S	.	.	S	Bend	trans	96.7	5	175	0	0	0	0	0	115.5	C602 D638	C602-G641 WeakPolarHBondContact CB-O 3.26Å; D638-G641 PolarHBondContact OD1-N 2.89Å
642	K	81.1	Confident	62.7	Low	138 Å²	138	70.6 Å²	70.6	60%	0.6	39%	0.392	S	S	*	.			trans	-94.9	124.5	178.3	-162.7	-176.8	179.2	-174.1	0	110.1	D638 M644	D638-K642 PolarHBondContact N-O 2.92Å; D638-K642 PolarHBondContact OD1-N 2.88Å; D638-K642 WeakPolarHBondContact OD2-CB 3.44Å; K642-M644 PolarHBondContact O-N 3.18Å
643	C	75.8	Confident	61.3	Low	11 Å²	11	77.2 Å²	77.2	7%	0.074	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	103.9	166.8	-172.9	0	0	0	0	108.6	T598 C602 C632 V634 K645	T598-C643 HydrophobicContact CG2-CB 4.1Å; T598-C643 WeakPolarHBondContact O-CB 3.26Å; C602-C643 WeakPolarHBondContact SG-CA 3.43Å; C632-C643 HydrophobicContact CB-CB 3.86Å; C632-C643 WeakPolarHBondContact CB-SG 3.49Å; C632-C643 WeakPolarHBondContact SG-CA 3.2Å; C632-C643 WeakPolarHBondContact SG-CB 3.32Å; C632-C643 CovalentContact SG-SG 2.03Å; C632-C643 PolarHBondContact SG-SG 3.25Å; V634-C643 HydrophobicContact CG2-CB 4.43Å; V634-C643 WeakPolarHBondContact CG2-SG 3.09Å; C643-K645 PolarHBondContact O-N 3.12Å
644	M	65.4	Low	60.1	Low	102 Å²	102	79.4 Å²	79.4	50%	0.502	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	115.9	-179.8	-62.3	-148.9	-59.4	0	0	109.8	G635 F636 D638 K642	G635-M644 WeakPolarHBondContact CA-O 3.38Å; F636-M644 PolarHBondContact N-O 3.46Å; F636-M644 PolarHBondContact O-N 2.89Å; D638-M644 HydrophobicContact CB-CE 4.49Å; D638-M644 HydrophobicContact CB-CG 4.13Å; D638-M644 HydrophobicContact CB-SD 4.17Å; K642-M644 PolarHBondContact O-N 3.18Å
645	K	52.8	Low	59	Low	135 Å²	135	83.9 Å²	83.9	59%	0.587	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.3	136.9	168.9	-69.3	-170.1	173.7	-171.8	0	109.9	V634 C643 V647	V634-K645 HydrophobicContact CB-CD 4.4Å; V634-K645 HydrophobicContact CB-CG 3.9Å; V634-K645 HydrophobicContact CG2-CD 4.2Å; V634-K645 HydrophobicContact CG2-CG 3.49Å; V634-K645 VanDerWaalsContact CG2-CG 3.49Å; V634-K645 WeakPolarHBondContact O-CA 3.38Å; C643-K645 PolarHBondContact O-N 3.12Å; K645-V647 PolarHBondContact O-N 3.5Å
646	Q	48.4	Very low	57.8	Low	84 Å²	84	87.8 Å²	87.8	39%	0.393	45%	0.451	S	S	.	.			trans	-56.3	125.5	151.7	-75.6	178.8	-83.5	0	0	107.9	Q648	Q646-Q648 VanDerWaalsContact C-N 3.31Å; Q646-Q648 PolarHBondContact O-N 2.91Å
647	V	41.2	Very low	56.8	Low	139 Å²	139	92.3 Å²	92.3	84%	0.842	47%	0.471	S	S	*	.			trans	-79.6	87.9	172.4	-174.5	0	0	0	0	106.7	K645 D649	K645-V647 PolarHBondContact O-N 3.5Å; V647-D649 PolarHBondContact O-N 3.25Å
648	Q	38.1	Very low	55.8	Low	98 Å²	98	95.6 Å²	95.6	46%	0.458	49%	0.488	S	S	.	.			trans	-56	127.3	160.7	-77	-172.5	-62.2	0	0	107.8	Q646	Q646-Q648 VanDerWaalsContact C-N 3.31Å; Q646-Q648 PolarHBondContact O-N 2.91Å
649	D	37.7	Very low	54.8	Low	100 Å²	100	99.3 Å²	99.3	54%	0.535	51%	0.508	S	S	.	.			trans	-63.7	141.8	-177.3	-158	-23	0	0	0	109.9	V647 V651 E652	V647-D649 PolarHBondContact O-N 3.25Å; D649-V651 PolarHBondContact O-N 3.43Å; D649-V651 VanDerWaalsContact O-N 3.14Å; D649-V651 PolarHBondContact OD1-N 3.21Å; D649-E652 PolarHBondContact O-N 2.67Å
650	V	40.3	Very low	53.7	Low	118 Å²	118	104.3 Å²	104.3	72%	0.715	52%	0.519	S	S	*	.	H	α-helix	trans	-62.9	-23.2	-179.6	-177	0	0	0	0	110.4	L654	V650-L654 PolarHBondContact O-N 2.89Å
651	V	49.2	Very low	52.5	Low	77 Å²	77	105.2 Å²	105.2	47%	0.467	51%	0.514	S	S	.	.	H	α-helix	trans	-62.2	-43.1	175.4	-177.8	0	0	0	0	112.6	D649 R653 L654 W655	D649-V651 PolarHBondContact O-N 3.43Å; D649-V651 VanDerWaalsContact O-N 3.14Å; D649-V651 PolarHBondContact OD1-N 3.21Å; V651-R653 VanDerWaalsContact C-N 3.35Å; V651-R653 PolarHBondContact O-N 2.71Å; V651-L654 WeakPolarHBondContact O-CB 3.18Å; V651-L654 PolarHBondContact O-N 3.05Å; V651-L654 VanDerWaalsContact O-N 3.09Å; V651-W655 VanDerWaalsContact O-CD1 3.28Å; V651-W655 PolarHBondContact O-N 2.73Å
652	E	45.2	Very low	51.4	Low	120 Å²	120	108.3 Å²	108.3	56%	0.561	53%	0.528	S	S	*	.	H	α-helix	trans	-62.5	-41.6	180	-72.4	-170.7	141	0	0	111.6	D649 L654 W655 D656	D649-E652 PolarHBondContact O-N 2.67Å; E652-L654 PolarHBondContact O-N 2.85Å; E652-W655 PolarHBondContact O-N 2.71Å; E652-D656 VanDerWaalsContact O-CB 3.24Å; E652-D656 WeakPolarHBondContact O-CB 3.27Å; E652-D656 PolarHBondContact O-N 3.2Å
653	R	44.9	Very low	50.5	Low	162 Å²	162	107.6 Å²	107.6	61%	0.611	53%	0.53	S	S	*	.	H	α-helix	trans	-66	-19.2	176.4	-77.3	-163.6	176.4	94.7	16.7	114.1	V651	V651-R653 VanDerWaalsContact C-N 3.35Å; V651-R653 PolarHBondContact O-N 2.71Å
654	L	48.8	Very low	50	Low	107 Å²	107	112.5 Å²	112.5	56%	0.56	56%	0.556	S	S	*	*	H	α-helix	trans	-81.5	-45.3	175.6	-172.4	63.1	0	0	0	110.8	V650 V651 E652 F657 I658	V650-L654 PolarHBondContact O-N 2.89Å; V651-L654 WeakPolarHBondContact O-CB 3.18Å; V651-L654 PolarHBondContact O-N 3.05Å; V651-L654 VanDerWaalsContact O-N 3.09Å; E652-L654 PolarHBondContact O-N 2.85Å; L654-F657 PolarHBondContact O-N 3.49Å; L654-I658 HydrophobicContact CG-CD1 4.18Å; L654-I658 WeakPolarHBondContact O-CG1 3.11Å; L654-I658 PolarHBondContact O-N 3.32Å; L654-I658 VanDerWaalsContact O-N 3.15Å
655	W	46.5	Very low	50	Low	146 Å²	146	112.1 Å²	112.1	55%	0.553	56%	0.559	S	S	*	*	H	α-helix	trans	-67.3	-44.1	176.4	-69.9	107.8	0	0	0	112.3	V651 E652 F657 I658 D659	V651-W655 VanDerWaalsContact O-CD1 3.28Å; V651-W655 PolarHBondContact O-N 2.73Å; E652-W655 PolarHBondContact O-N 2.71Å; W655-F657 PolarHBondContact O-N 3.15Å; W655-I658 HydrophobicContact CE3-CD1 4.23Å; W655-I658 HydrophobicContact CE3-CG2 4.48Å; W655-I658 HydrophobicContact CZ3-CD1 4.45Å; W655-I658 WeakPolarHBondContact O-CA 3.38Å; W655-I658 PolarHBondContact O-N 2.91Å; W655-D659 PolarHBondContact O-N 3.03Å
656	D	46.2	Very low	50.6	Low	95 Å²	95	110 Å²	110	51%	0.508	55%	0.55	S	S	.	*	H	α-helix	trans	-63.5	-14.4	177.8	-170.9	63.5	0	0	0	113.9	E652 K660	E652-D656 VanDerWaalsContact O-CB 3.24Å; E652-D656 WeakPolarHBondContact O-CB 3.27Å; E652-D656 PolarHBondContact O-N 3.2Å; D656-K660 WeakPolarHBondContact O-CD 3.45Å; D656-K660 VanDerWaalsContact O-CG 3.32Å; D656-K660 WeakPolarHBondContact O-CG 3.49Å; D656-K660 PolarHBondContact O-NZ 3.38Å; D656-K660 VanDerWaalsContact O-NZ 3.14Å; D656-K660 IonicContact OD1-NZ 2.73Å; D656-K660 PolarHBondContact OD1-NZ 3.15Å; D656-K660 IonicContact OD2-NZ 3.25Å; D656-K660 PolarHBondContact OD2-NZ 3.46Å
657	F	45.8	Very low	51.3	Low	141 Å²	141	114.6 Å²	114.6	62%	0.618	56%	0.564	S	S	*	*	H	α-helix	trans	-91.2	-33.6	168.8	-174.5	-93.2	0	0	0	113	L654 W655	L654-F657 PolarHBondContact O-N 3.49Å; W655-F657 PolarHBondContact O-N 3.15Å
658	I	56	Low	52.8	Low	74 Å²	74	114.4 Å²	114.4	38%	0.379	55%	0.552	S	S	.	*	H	α-helix	trans	-70.6	-46	176.6	-70.4	164.6	0	0	0	110.7	L654 W655 K660 L661	L654-I658 HydrophobicContact CG-CD1 4.18Å; L654-I658 WeakPolarHBondContact O-CG1 3.11Å; L654-I658 PolarHBondContact O-N 3.32Å; L654-I658 VanDerWaalsContact O-N 3.15Å; W655-I658 HydrophobicContact CE3-CD1 4.23Å; W655-I658 HydrophobicContact CE3-CG2 4.48Å; W655-I658 HydrophobicContact CZ3-CD1 4.45Å; W655-I658 WeakPolarHBondContact O-CA 3.38Å; W655-I658 PolarHBondContact O-N 2.91Å; I658-K660 PolarHBondContact O-N 3.36Å; I658-L661 WeakPolarHBondContact O-CB 3.35Å; I658-L661 PolarHBondContact O-N 3.23Å
659	D	53.7	Low	54.4	Low	127 Å²	127	115.6 Å²	115.6	68%	0.679	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-16.2	-177.9	-63.9	-32.1	0	0	0	112.8	W655	W655-D659 PolarHBondContact O-N 3.03Å
660	K	52	Low	56	Low	140 Å²	140	113.1 Å²	113.1	61%	0.609	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	0.3	172.5	-70.4	-174.2	178.5	81.2	0	114.1	D656 I658 D662	D656-K660 WeakPolarHBondContact O-CD 3.45Å; D656-K660 VanDerWaalsContact O-CG 3.32Å; D656-K660 WeakPolarHBondContact O-CG 3.49Å; D656-K660 PolarHBondContact O-NZ 3.38Å; D656-K660 VanDerWaalsContact O-NZ 3.14Å; D656-K660 IonicContact OD1-NZ 2.73Å; D656-K660 PolarHBondContact OD1-NZ 3.15Å; D656-K660 IonicContact OD2-NZ 3.25Å; D656-K660 PolarHBondContact OD2-NZ 3.46Å; I658-K660 PolarHBondContact O-N 3.36Å; K660-D662 PolarHBondContact O-N 3.26Å
661	L	54.9	Low	57.4	Low	85 Å²	85	110.5 Å²	110.5	45%	0.445	53%	0.533	S	S	.	.	S	Bend	trans	-89.6	94.8	173.1	-70	169.2	0	0	0	110.9	I658 I663	I658-L661 WeakPolarHBondContact O-CB 3.35Å; I658-L661 PolarHBondContact O-N 3.23Å; L661-I663 PolarHBondContact O-N 2.93Å; L661-I663 VanDerWaalsContact O-N 3.16Å
662	D	55.2	Low	58.8	Low	75 Å²	75	112.4 Å²	112.4	40%	0.401	54%	0.54	S	S	.	.			trans	-47.5	122	171.1	155.8	47.7	0	0	0	111.4	K660 N664 T665 F666	K660-D662 PolarHBondContact O-N 3.26Å; D662-N664 PolarHBondContact O-N 2.03Å; D662-N664 VanDerWaalsContact O-N 3.11Å; D662-N664 WeakPolarHBondContact OD1-CB 3.33Å; D662-N664 PolarHBondContact OD1-N 2.94Å; D662-N664 PolarHBondContact OD1-ND2 3.19Å; D662-T665 PolarHBondContact O-N 3.45Å; D662-T665 VanDerWaalsContact OD2-CB 3.28Å; D662-T665 WeakPolarHBondContact OD2-CB 3.29Å; D662-T665 PolarHBondContact OD2-N 3.28Å; D662-T665 PolarHBondContact OD2-OG1 3.19Å; D662-F666 PolarHBondContact O-N 2.7Å
663	I	62.6	Low	60.3	Low	124 Å²	124	110.4 Å²	110.4	64%	0.636	53%	0.534	S	S	*	.	H	α-helix	trans	-54.3	-32.4	-178.2	-74.1	173.9	0	0	0	112.2	L661 R667	L661-I663 PolarHBondContact O-N 2.93Å; L661-I663 VanDerWaalsContact O-N 3.16Å; I663-R667 WeakPolarHBondContact O-CB 3.06Å; I663-R667 PolarHBondContact O-N 3.19Å
664	N	64.7	Low	62.1	Low	114 Å²	114	107.9 Å²	107.9	61%	0.61	53%	0.531	S	S	*	.	H	α-helix	trans	-71.5	-45.3	179.7	-56.8	-77	0	0	0	111	D662 K668	D662-N664 PolarHBondContact O-N 2.03Å; D662-N664 VanDerWaalsContact O-N 3.11Å; D662-N664 WeakPolarHBondContact OD1-CB 3.33Å; D662-N664 PolarHBondContact OD1-N 2.94Å; D662-N664 PolarHBondContact OD1-ND2 3.19Å; N664-K668 WeakPolarHBondContact O-CB 3.5Å; N664-K668 PolarHBondContact O-N 3.14Å
665	T	65	Low	63.9	Low	94 Å²	94	108.1 Å²	108.1	58%	0.577	54%	0.537	S	S	*	.	H	α-helix	trans	-66.5	-41.6	174.6	-59.2	0	0	0	0	111.8	D662 K668 F669	D662-T665 PolarHBondContact O-N 3.45Å; D662-T665 VanDerWaalsContact OD2-CB 3.28Å; D662-T665 WeakPolarHBondContact OD2-CB 3.29Å; D662-T665 PolarHBondContact OD2-N 3.28Å; D662-T665 PolarHBondContact OD2-OG1 3.19Å; T665-K668 PolarHBondContact O-N 2.9Å; T665-F669 WeakPolarHBondContact O-CB 3.14Å; T665-F669 PolarHBondContact O-N 3.12Å
666	F	66.8	Low	65.5	Low	91 Å²	91	103.5 Å²	103.5	40%	0.399	54%	0.535	S	S	.	.	H	α-helix	trans	-65.8	-45.9	176.6	-175.5	-114.2	0	0	0	112.2	D662 K668 F669 L670	D662-F666 PolarHBondContact O-N 2.7Å; F666-K668 VanDerWaalsContact C-N 3.26Å; F666-K668 PolarHBondContact O-N 2.92Å; F666-F669 PolarHBondContact O-N 3.45Å; F666-L670 HydrophobicContact CD1-CD1 3.94Å; F666-L670 HydrophobicContact CE1-CD1 3.59Å; F666-L670 HydrophobicContact CE1-CG 4.27Å; F666-L670 HydrophobicContact CE2-CD2 4.5Å; F666-L670 HydrophobicContact CE2-CG 4.45Å; F666-L670 HydrophobicContact CZ-CD1 3.96Å; F666-L670 HydrophobicContact CZ-CD2 4.25Å; F666-L670 HydrophobicContact CZ-CG 4.23Å; F666-L670 WeakPolarHBondContact O-CG 3.35Å; F666-L670 PolarHBondContact O-N 3.28Å
667	R	63.5	Low	67.1	Low	179 Å²	179	99.8 Å²	99.8	68%	0.675	52%	0.516	S	S	*	.	H	α-helix	trans	-57.7	-39.9	172.8	173.5	177.2	-83.5	169.2	-5.5	111.6	I663 A671	I663-R667 WeakPolarHBondContact O-CB 3.06Å; I663-R667 PolarHBondContact O-N 3.19Å; R667-A671 WeakPolarHBondContact O-CB 3.25Å; R667-A671 PolarHBondContact O-N 3.43Å
668	K	72.6	Confident	68.9	Low	136 Å²	136	97.2 Å²	97.2	59%	0.591	51%	0.512	S	S	*	.	H	α-helix	trans	-66.8	-46.2	176.8	-171.4	174.9	178.8	-177.1	0	111.7	N664 T665 F666 L670 A671 D672	N664-K668 WeakPolarHBondContact O-CB 3.5Å; N664-K668 PolarHBondContact O-N 3.14Å; T665-K668 PolarHBondContact O-N 2.9Å; F666-K668 VanDerWaalsContact C-N 3.26Å; F666-K668 PolarHBondContact O-N 2.92Å; K668-L670 VanDerWaalsContact C-N 3.33Å; K668-L670 PolarHBondContact O-N 3.46Å; K668-A671 PolarHBondContact O-N 3.24Å; K668-A671 VanDerWaalsContact O-N 3.11Å; K668-D672 WeakPolarHBondContact O-CB 2.86Å; K668-D672 VanDerWaalsContact O-CG 3.28Å; K668-D672 PolarHBondContact O-N 2.92Å
669	F	70.3	Confident	70.4	Confident	122 Å²	122	97.5 Å²	97.5	54%	0.535	52%	0.517	S	S	.	.	H	α-helix	trans	-58.1	-42.6	175.3	178.4	-95.9	0	0	0	112.6	T665 F666 N673	T665-F669 WeakPolarHBondContact O-CB 3.14Å; T665-F669 PolarHBondContact O-N 3.12Å; F666-F669 PolarHBondContact O-N 3.45Å; F669-N673 WeakPolarHBondContact O-CB 3.47Å; F669-N673 PolarHBondContact O-N 3.12Å; F669-N673 PolarHBondContact O-ND2 2.89Å
670	L	71.6	Confident	71.8	Confident	48 Å²	48	93.5 Å²	93.5	25%	0.251	50%	0.502	S	S	.	.	H	α-helix	trans	-64.5	-36.7	174.8	-70	176.5	0	0	0	112.8	F666 K668 N673 I674 S677 F681	F666-L670 HydrophobicContact CD1-CD1 3.94Å; F666-L670 HydrophobicContact CE1-CD1 3.59Å; F666-L670 HydrophobicContact CE1-CG 4.27Å; F666-L670 HydrophobicContact CE2-CD2 4.5Å; F666-L670 HydrophobicContact CE2-CG 4.45Å; F666-L670 HydrophobicContact CZ-CD1 3.96Å; F666-L670 HydrophobicContact CZ-CD2 4.25Å; F666-L670 HydrophobicContact CZ-CG 4.23Å; F666-L670 WeakPolarHBondContact O-CG 3.35Å; F666-L670 PolarHBondContact O-N 3.28Å; K668-L670 VanDerWaalsContact C-N 3.33Å; K668-L670 PolarHBondContact O-N 3.46Å; L670-N673 CarbonylContact O-C 3.27Å; L670-I674 WeakPolarHBondContact O-CA 3.18Å; L670-I674 PolarHBondContact O-N 2.99Å; L670-I674 VanDerWaalsContact O-N 3.1Å; L670-S677 WeakPolarHBondContact CD2-OG 3.5Å; L670-S677 PolarHBondContact O-OG 3.39Å; L670-F681 HydrophobicContact CD2-CE2 4.37Å
671	A	70.7	Confident	73.3	Confident	64 Å²	64	91.7 Å²	91.7	53%	0.529	49%	0.494	S	S	.	.	H	α-helix	trans	-70.8	-46.5	176.3	0	0	0	0	0	111.8	R667 K668 N673 I674	R667-A671 WeakPolarHBondContact O-CB 3.25Å; R667-A671 PolarHBondContact O-N 3.43Å; K668-A671 PolarHBondContact O-N 3.24Å; K668-A671 VanDerWaalsContact O-N 3.11Å; A671-N673 PolarHBondContact O-N 3.16Å; A671-I674 PolarHBondContact O-N 2.96Å
672	D	78.4	Confident	74.8	Confident	116 Å²	116	89.9 Å²	89.9	62%	0.62	49%	0.488	S	S	*	.	H	α-helix	trans	-64.6	-27.8	178.3	-66.4	-19.5	0	0	0	111.6	K668	K668-D672 WeakPolarHBondContact O-CB 2.86Å; K668-D672 VanDerWaalsContact O-CG 3.28Å; K668-D672 PolarHBondContact O-N 2.92Å
673	N	76.1	Confident	76.3	Confident	78 Å²	78	91.8 Å²	91.8	42%	0.417	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	39.1	179.9	-60.8	-89.2	0	0	0	112.9	F669 L670 A671 V675 G676 S677	F669-N673 WeakPolarHBondContact O-CB 3.47Å; F669-N673 PolarHBondContact O-N 3.12Å; F669-N673 PolarHBondContact O-ND2 2.89Å; L670-N673 CarbonylContact O-C 3.27Å; A671-N673 PolarHBondContact O-N 3.16Å; N673-V675 VanDerWaalsContact C-N 3.28Å; N673-V675 PolarHBondContact O-N 3.05Å; N673-V675 VanDerWaalsContact O-N 3.16Å; N673-G676 PolarHBondContact O-N 2.97Å; N673-S677 WeakPolarHBondContact O-CB 3.45Å; N673-S677 PolarHBondContact O-N 2.75Å; N673-S677 PolarHBondContact O-OG 3.18Å
674	I	82.9	Confident	77.3	Confident	109 Å²	109	91.6 Å²	91.6	56%	0.559	50%	0.498	S	S	*	.	H	α-helix	trans	-54.6	-37.8	-171.7	-167.3	169	0	0	0	114.2	L670 A671 S677 V678	L670-I674 WeakPolarHBondContact O-CA 3.18Å; L670-I674 PolarHBondContact O-N 2.99Å; L670-I674 VanDerWaalsContact O-N 3.1Å; A671-I674 PolarHBondContact O-N 2.96Å; I674-S677 PolarHBondContact O-N 3.32Å; I674-V678 WeakPolarHBondContact O-CG2 3.32Å; I674-V678 PolarHBondContact O-N 2.66Å
675	V	85.8	Confident	78.2	Confident	113 Å²	113	92 Å²	92	69%	0.685	49%	0.494	S	S	*	.	H	α-helix	trans	-68	-47.5	-179.5	-177.9	0	0	0	0	111.8	N673 S677 V678 V679	N673-V675 VanDerWaalsContact C-N 3.28Å; N673-V675 PolarHBondContact O-N 3.05Å; N673-V675 VanDerWaalsContact O-N 3.16Å; V675-S677 VanDerWaalsContact C-N 3.31Å; V675-S677 PolarHBondContact O-N 3.35Å; V675-V678 PolarHBondContact O-N 3.25Å; V675-V679 WeakPolarHBondContact O-CG2 3.01Å; V675-V679 PolarHBondContact O-N 2.85Å; V675-V679 VanDerWaalsContact O-N 3.14Å
676	G	80.3	Confident	79.2	Confident	49 Å²	49	95.9 Å²	95.9	51%	0.505	50%	0.498	S	S	.	.	H	α-helix	trans	-65.1	-37.4	176.5	0	0	0	0	0	112	N673 V679 A680	N673-G676 PolarHBondContact O-N 2.97Å; G676-V679 PolarHBondContact O-N 3.07Å; G676-A680 WeakPolarHBondContact O-CB 3.44Å; G676-A680 PolarHBondContact O-N 3.38Å
677	S	79.2	Confident	80.1	Confident	17 Å²	17	95 Å²	95	12%	0.119	50%	0.5	C	S	.	.	H	α-helix	trans	-61.4	-49	175.5	-55.4	0	0	0	0	111.8	L670 N673 I674 V675 V679 A680 F681	L670-S677 WeakPolarHBondContact CD2-OG 3.5Å; L670-S677 PolarHBondContact O-OG 3.39Å; N673-S677 WeakPolarHBondContact O-CB 3.45Å; N673-S677 PolarHBondContact O-N 2.75Å; N673-S677 PolarHBondContact O-OG 3.18Å; I674-S677 PolarHBondContact O-N 3.32Å; V675-S677 VanDerWaalsContact C-N 3.31Å; V675-S677 PolarHBondContact O-N 3.35Å; S677-V679 VanDerWaalsContact C-N 3.35Å; S677-V679 PolarHBondContact O-N 3.12Å; S677-A680 PolarHBondContact O-N 2.94Å; S677-F681 WeakPolarHBondContact O-CD2 3.35Å; S677-F681 PolarHBondContact O-N 3.47Å
678	V	84.1	Confident	81.2	Confident	87 Å²	87	89.4 Å²	89.4	53%	0.527	49%	0.487	S	S	.	.	H	α-helix	trans	-59.4	-44.6	176.8	168	0	0	0	0	111.2	I674 V675 A680 F681 S682	I674-V678 WeakPolarHBondContact O-CG2 3.32Å; I674-V678 PolarHBondContact O-N 2.66Å; V675-V678 PolarHBondContact O-N 3.25Å; V678-A680 PolarHBondContact O-N 3.19Å; V678-F681 PolarHBondContact O-N 2.69Å; V678-S682 WeakPolarHBondContact O-CB 3.44Å; V678-S682 PolarHBondContact O-N 3.39Å; V678-S682 PolarHBondContact O-OG 2.72Å; V678-S682 VanDerWaalsContact O-OG 3.13Å
679	V	87.1	Confident	81.9	Confident	79 Å²	79	88.9 Å²	88.9	48%	0.479	49%	0.485	S	S	.	.	H	α-helix	trans	-61	-44.4	177.2	172.7	0	0	0	0	111.5	V675 G676 S677 S682 L683	V675-V679 WeakPolarHBondContact O-CG2 3.01Å; V675-V679 PolarHBondContact O-N 2.85Å; V675-V679 VanDerWaalsContact O-N 3.14Å; G676-V679 PolarHBondContact O-N 3.07Å; S677-V679 VanDerWaalsContact C-N 3.35Å; S677-V679 PolarHBondContact O-N 3.12Å; V679-S682 PolarHBondContact O-N 3.05Å; V679-L683 HydrophobicContact CG1-CD1 4Å; V679-L683 WeakPolarHBondContact O-CG 3.42Å; V679-L683 PolarHBondContact O-N 3.11Å
680	A	84.2	Confident	82.6	Confident	44 Å²	44	86.2 Å²	86.2	36%	0.364	48%	0.482	S	S	.	.	H	α-helix	trans	-63.6	-47.6	178.3	0	0	0	0	0	112.3	G676 S677 V678 S682 L683 L684	G676-A680 WeakPolarHBondContact O-CB 3.44Å; G676-A680 PolarHBondContact O-N 3.38Å; S677-A680 PolarHBondContact O-N 2.94Å; V678-A680 PolarHBondContact O-N 3.19Å; A680-S682 VanDerWaalsContact C-N 3.32Å; A680-S682 PolarHBondContact O-N 3.24Å; A680-L683 PolarHBondContact O-N 3.19Å; A680-L684 WeakPolarHBondContact O-CB 3.41Å; A680-L684 WeakPolarHBondContact O-CG 3.36Å; A680-L684 PolarHBondContact O-N 2.78Å
681	F	82.6	Confident	83.4	Confident	101 Å²	101	88.7 Å²	88.7	44%	0.443	49%	0.494	S	S	.	.	H	α-helix	trans	-65.6	-33.7	176.2	-85.3	-81.6	0	0	0	112.5	L670 S677 V678 F685 W686	L670-F681 HydrophobicContact CD2-CE2 4.37Å; S677-F681 WeakPolarHBondContact O-CD2 3.35Å; S677-F681 PolarHBondContact O-N 3.47Å; V678-F681 PolarHBondContact O-N 2.69Å; F681-F685 AromaticContact CD1-CD2 3.5Å; F681-F685 HydrophobicContact CD1-CD2 3.5Å; F681-F685 AromaticContact CD1-CE2 3.66Å; F681-F685 HydrophobicContact CD1-CE2 3.66Å; F681-F685 HydrophobicContact CD1-CG 4.49Å; F681-F685 HydrophobicContact CE1-CD2 4.06Å; F681-F685 AromaticContact CE1-CE2 3.73Å; F681-F685 HydrophobicContact CE1-CE2 3.73Å; F681-F685 HydrophobicContact CG-CD2 4.4Å; F681-F685 WeakPolarHBondContact O-CB 3.48Å; F681-F685 PolarHBondContact O-N 3.43Å; F681-W686 PolarHBondContact O-N 2.98Å
682	S	86.9	Confident	84.2	Confident	48 Å²	48	90.9 Å²	90.9	34%	0.336	50%	0.496	S	S	.	.	I	π-helix	trans	-64.2	-43.1	172.8	-74.1	0	0	0	0	112.5	V678 V679 A680 W686 V687	V678-S682 WeakPolarHBondContact O-CB 3.44Å; V678-S682 PolarHBondContact O-N 3.39Å; V678-S682 PolarHBondContact O-OG 2.72Å; V678-S682 VanDerWaalsContact O-OG 3.13Å; V679-S682 PolarHBondContact O-N 3.05Å; A680-S682 VanDerWaalsContact C-N 3.32Å; A680-S682 PolarHBondContact O-N 3.24Å; S682-W686 WeakPolarHBondContact O-CB 3.36Å; S682-W686 PolarHBondContact O-N 3.17Å; S682-V687 PolarHBondContact O-N 3.5Å
683	L	86.4	Confident	84.7	Confident	114 Å²	114	88.8 Å²	88.8	60%	0.597	49%	0.487	S	S	*	.	I	π-helix	trans	-73.9	-37.9	179.6	-70.7	171.3	0	0	0	113.3	V679 A680 P688	V679-L683 HydrophobicContact CG1-CD1 4Å; V679-L683 WeakPolarHBondContact O-CG 3.42Å; V679-L683 PolarHBondContact O-N 3.11Å; A680-L683 PolarHBondContact O-N 3.19Å; L683-P688 VanDerWaalsContact O-CD 3.29Å; L683-P688 WeakPolarHBondContact O-CD 3.39Å
684	L	83.9	Confident	85.2	Confident	121 Å²	121	90.2 Å²	90.2	63%	0.634	49%	0.492	S	S	*	.	I	π-helix	trans	-85.2	-29.3	-175.7	-69.3	172.4	0	0	0	114.1	A680 P688	A680-L684 WeakPolarHBondContact O-CB 3.41Å; A680-L684 WeakPolarHBondContact O-CG 3.36Å; A680-L684 PolarHBondContact O-N 2.78Å; L684-P688 WeakPolarHBondContact O-CG 3.29Å
685	F	84.3	Confident	85.2	Confident	123 Å²	123	88.7 Å²	88.7	54%	0.539	49%	0.489	S	S	.	.	I	π-helix	trans	-119.8	-53.4	-175.7	-61.6	-87.1	0	0	0	112.6	F681 F689	F681-F685 AromaticContact CD1-CD2 3.5Å; F681-F685 HydrophobicContact CD1-CD2 3.5Å; F681-F685 AromaticContact CD1-CE2 3.66Å; F681-F685 HydrophobicContact CD1-CE2 3.66Å; F681-F685 HydrophobicContact CD1-CG 4.49Å; F681-F685 HydrophobicContact CE1-CD2 4.06Å; F681-F685 AromaticContact CE1-CE2 3.73Å; F681-F685 HydrophobicContact CE1-CE2 3.73Å; F681-F685 HydrophobicContact CG-CD2 4.4Å; F681-F685 WeakPolarHBondContact O-CB 3.48Å; F681-F685 PolarHBondContact O-N 3.43Å; F685-F689 WeakPolarHBondContact O-CB 3.36Å; F685-F689 PolarHBondContact O-N 2.99Å
686	W	84.6	Confident	85.2	Confident	174 Å²	174	87 Å²	87	66%	0.659	48%	0.48	S	S	*	.	I	π-helix	trans	-67.5	-40.6	-175.4	-76.6	102.8	0	0	0	113.9	F681 S682 S690	F681-W686 PolarHBondContact O-N 2.98Å; S682-W686 WeakPolarHBondContact O-CB 3.36Å; S682-W686 PolarHBondContact O-N 3.17Å; W686-S690 VanDerWaalsContact O-CB 3.25Å; W686-S690 WeakPolarHBondContact O-CB 3.45Å; W686-S690 PolarHBondContact O-N 2.99Å; W686-S690 PolarHBondContact O-OG 3.21Å
687	V	87.6	Confident	85.4	Confident	72 Å²	72	89.3 Å²	89.3	44%	0.436	48%	0.48	S	S	.	.	H	α-helix	trans	-66.6	-51.6	177.9	168.5	0	0	0	0	111.3	S682 F689 S690 I691	S682-V687 PolarHBondContact O-N 3.5Å; V687-F689 PolarHBondContact O-N 3.22Å; V687-S690 PolarHBondContact O-N 2.67Å; V687-I691 HydrophobicContact CG1-CD1 3.89Å; V687-I691 WeakPolarHBondContact O-CG1 3.17Å; V687-I691 PolarHBondContact O-N 3.14Å
688	P	86.3	Confident	85.4	Confident	62 Å²	62	94.1 Å²	94.1	40%	0.403	50%	0.499	S	S	.	.	H	α-helix	trans	-59.4	-41.2	174.3	-29	38.7	0	0	0	113.6	L683 L684 I691 L692	L683-P688 VanDerWaalsContact O-CD 3.29Å; L683-P688 WeakPolarHBondContact O-CD 3.39Å; L684-P688 WeakPolarHBondContact O-CG 3.29Å; P688-I691 PolarHBondContact O-N 3.13Å; P688-L692 WeakPolarHBondContact O-CB 3.3Å; P688-L692 PolarHBondContact O-N 2.9Å
689	F	85.8	Confident	85.2	Confident	125 Å²	125	96.3 Å²	96.3	55%	0.548	50%	0.501	S	S	.	.	H	α-helix	trans	-65.3	-39.4	177.2	-168.7	-98.9	0	0	0	111.9	F685 V687 I691 L692 V693	F685-F689 WeakPolarHBondContact O-CB 3.36Å; F685-F689 PolarHBondContact O-N 2.99Å; V687-F689 PolarHBondContact O-N 3.22Å; F689-I691 PolarHBondContact O-N 3.37Å; F689-L692 PolarHBondContact O-N 3Å; F689-V693 HydrophobicContact CD1-CG2 3.98Å; F689-V693 HydrophobicContact CE1-CG2 3.7Å; F689-V693 HydrophobicContact CZ-CG2 4.13Å; F689-V693 WeakPolarHBondContact O-CB 3.45Å; F689-V693 WeakPolarHBondContact O-CG2 3.31Å; F689-V693 PolarHBondContact O-N 2.73Å
690	S	86.6	Confident	84.6	Confident	66 Å²	66	97.3 Å²	97.3	46%	0.462	50%	0.502	S	S	.	.	H	α-helix	trans	-64.9	-38.1	174.8	-57.9	0	0	0	0	112.2	W686 V687 H694	W686-S690 VanDerWaalsContact O-CB 3.25Å; W686-S690 WeakPolarHBondContact O-CB 3.45Å; W686-S690 PolarHBondContact O-N 2.99Å; W686-S690 PolarHBondContact O-OG 3.21Å; V687-S690 PolarHBondContact O-N 2.67Å; S690-H694 WeakPolarHBondContact O-CB 3.47Å; S690-H694 PolarHBondContact O-N 3.13Å
691	I	88.3	Confident	84.3	Confident	101 Å²	101	99.9 Å²	99.9	52%	0.518	51%	0.509	S	S	.	.	H	α-helix	trans	-66	-42.1	173.4	-67.3	164.3	0	0	0	110.5	V687 P688 F689 H694 C695	V687-I691 HydrophobicContact CG1-CD1 3.89Å; V687-I691 WeakPolarHBondContact O-CG1 3.17Å; V687-I691 PolarHBondContact O-N 3.14Å; P688-I691 PolarHBondContact O-N 3.13Å; F689-I691 PolarHBondContact O-N 3.37Å; I691-H694 PolarHBondContact O-N 3.04Å; I691-C695 WeakPolarHBondContact O-CB 3.36Å; I691-C695 PolarHBondContact O-N 2.76Å; I691-C695 PolarHBondContact O-SG 3.44Å; I691-C695 VanDerWaalsContact O-SG 3.37Å
692	L	86.9	Confident	84	Confident	109 Å²	109	103.3 Å²	103.3	57%	0.571	52%	0.519	S	S	*	.	H	α-helix	trans	-65.7	-46.2	179.8	-155	166.2	0	0	0	110.7	P688 F689 C695 V696	P688-L692 WeakPolarHBondContact O-CB 3.3Å; P688-L692 PolarHBondContact O-N 2.9Å; F689-L692 PolarHBondContact O-N 3Å; L692-C695 PolarHBondContact O-N 2.74Å; L692-V696 HydrophobicContact CD2-CG2 4.04Å; L692-V696 WeakPolarHBondContact O-CG2 3.19Å; L692-V696 PolarHBondContact O-N 2.99Å
693	V	89.3	Confident	83.2	Confident	72 Å²	72	105.6 Å²	105.6	44%	0.436	53%	0.525	S	S	.	.	H	α-helix	trans	-57.2	-50.4	171.5	170.2	0	0	0	0	110.5	F689 C695 V696 D697	F689-V693 HydrophobicContact CD1-CG2 3.98Å; F689-V693 HydrophobicContact CE1-CG2 3.7Å; F689-V693 HydrophobicContact CZ-CG2 4.13Å; F689-V693 WeakPolarHBondContact O-CB 3.45Å; F689-V693 WeakPolarHBondContact O-CG2 3.31Å; F689-V693 PolarHBondContact O-N 2.73Å; V693-C695 VanDerWaalsContact C-N 3.29Å; V693-C695 PolarHBondContact O-N 2.76Å; V693-V696 PolarHBondContact O-N 3.32Å; V693-D697 WeakPolarHBondContact O-CB 3.41Å; V693-D697 PolarHBondContact O-N 3.04Å
694	H	85	Confident	82.3	Confident	109 Å²	109	108.2 Å²	108.2	51%	0.505	53%	0.528	S	S	.	.	H	α-helix	trans	-61.1	-35.6	178.3	-179	51.3	0	0	0	113	S690 I691 K698	S690-H694 WeakPolarHBondContact O-CB 3.47Å; S690-H694 PolarHBondContact O-N 3.13Å; I691-H694 PolarHBondContact O-N 3.04Å; H694-K698 WeakPolarHBondContact O-CB 3.38Å; H694-K698 PolarHBondContact O-N 3.03Å
695	C	84.6	Confident	81.5	Confident	76 Å²	76	107.6 Å²	107.6	51%	0.514	52%	0.522	S	S	.	.	H	α-helix	trans	-69	-32.8	173.9	-78.5	0	0	0	0	113.2	I691 L692 V693 K699	I691-C695 WeakPolarHBondContact O-CB 3.36Å; I691-C695 PolarHBondContact O-N 2.76Å; I691-C695 PolarHBondContact O-SG 3.44Å; I691-C695 VanDerWaalsContact O-SG 3.37Å; L692-C695 PolarHBondContact O-N 2.74Å; V693-C695 VanDerWaalsContact C-N 3.29Å; V693-C695 PolarHBondContact O-N 2.76Å; C695-K699 WeakPolarHBondContact O-CB 3.01Å; C695-K699 PolarHBondContact O-N 2.86Å
696	V	85.3	Confident	80.6	Confident	79 Å²	79	107.8 Å²	107.8	48%	0.479	52%	0.524	S	S	.	.	H	α-helix	trans	-72.7	-44.9	173.1	170	0	0	0	0	110.8	L692 V693 K699 M700	L692-V696 HydrophobicContact CD2-CG2 4.04Å; L692-V696 WeakPolarHBondContact O-CG2 3.19Å; L692-V696 PolarHBondContact O-N 2.99Å; V693-V696 PolarHBondContact O-N 3.32Å; V696-K699 CarbonylContact O-C 3.41Å; V696-K699 WeakPolarHBondContact O-CA 3.37Å; V696-K699 WeakPolarHBondContact O-CB 3.46Å; V696-K699 PolarHBondContact O-N 2.89Å; V696-K699 VanDerWaalsContact O-N 3.07Å; V696-M700 WeakPolarHBondContact O-CG 3.09Å; V696-M700 PolarHBondContact O-N 3.41Å
697	D	83.4	Confident	79.4	Confident	96 Å²	96	103.2 Å²	103.2	51%	0.513	52%	0.516	S	S	.	.	H	α-helix	trans	-59.5	-50.5	178	-148.7	36.2	0	0	0	110.3	V693 K699 M700 D701	V693-D697 WeakPolarHBondContact O-CB 3.41Å; V693-D697 PolarHBondContact O-N 3.04Å; D697-K699 PolarHBondContact O-N 3.22Å; D697-M700 CarbonylContact O-C 3.22Å; D697-M700 WeakPolarHBondContact O-CA 3.23Å; D697-M700 WeakPolarHBondContact O-CB 3.42Å; D697-M700 PolarHBondContact O-N 2.96Å; D697-D701 PolarHBondContact O-N 3.26Å
698	K	80.9	Confident	78	Confident	118 Å²	118	103 Å²	103	51%	0.513	52%	0.515	S	S	.	.	H	α-helix	trans	-64.1	-20.7	174.5	-171.6	171.5	-174.2	170	0	114.3	H694 R702	H694-K698 WeakPolarHBondContact O-CB 3.38Å; H694-K698 PolarHBondContact O-N 3.03Å; K698-R702 PolarHBondContact O-N 3.37Å
699	K	79.7	Confident	76.5	Confident	134 Å²	134	106.2 Å²	106.2	58%	0.583	52%	0.523	S	S	*	.	H	α-helix	trans	-80.3	-39.7	170.4	-176.8	-176.9	176	-174.2	0	110.7	C695 V696 D697 R702 Q703	C695-K699 WeakPolarHBondContact O-CB 3.01Å; C695-K699 PolarHBondContact O-N 2.86Å; V696-K699 CarbonylContact O-C 3.41Å; V696-K699 WeakPolarHBondContact O-CA 3.37Å; V696-K699 WeakPolarHBondContact O-CB 3.46Å; V696-K699 PolarHBondContact O-N 2.89Å; V696-K699 VanDerWaalsContact O-N 3.07Å; D697-K699 PolarHBondContact O-N 3.22Å; K699-R702 PolarHBondContact O-N 3.1Å; K699-Q703 WeakPolarHBondContact O-CG 3.43Å; K699-Q703 PolarHBondContact O-N 2.75Å
700	M	74.6	Confident	74.9	Confident	99 Å²	99	104.2 Å²	104.2	49%	0.488	52%	0.524	S	S	.	.	H	α-helix	trans	-64.3	-42.2	173.1	-69.8	-133.9	64.2	0	0	112	V696 D697 R702 Q703 Y704	V696-M700 WeakPolarHBondContact O-CG 3.09Å; V696-M700 PolarHBondContact O-N 3.41Å; D697-M700 CarbonylContact O-C 3.22Å; D697-M700 WeakPolarHBondContact O-CA 3.23Å; D697-M700 WeakPolarHBondContact O-CB 3.42Å; D697-M700 PolarHBondContact O-N 2.96Å; M700-R702 VanDerWaalsContact C-N 3.33Å; M700-R702 PolarHBondContact O-N 2.85Å; M700-Q703 CarbonylContact O-C 3.6Å; M700-Q703 PolarHBondContact O-N 2.88Å; M700-Q703 VanDerWaalsContact O-N 3.14Å; M700-Y704 PolarHBondContact O-N 3.43Å
701	D	78	Confident	73.3	Confident	98 Å²	98	107.3 Å²	107.3	52%	0.524	54%	0.535	S	S	.	.	H	α-helix	trans	-56.2	-45.7	172.8	-77.1	-27.8	0	0	0	111.8	D697 Q703 Y704 E705	D697-D701 PolarHBondContact O-N 3.26Å; D701-Q703 PolarHBondContact O-N 2.77Å; D701-Y704 CarbonylContact O-C 3.58Å; D701-Y704 WeakPolarHBondContact O-CB 3.42Å; D701-Y704 PolarHBondContact O-N 2.99Å; D701-Y704 VanDerWaalsContact O-N 3.17Å; D701-E705 PolarHBondContact O-N 3.25Å
702	R	74.7	Confident	71.5	Confident	173 Å²	173	110.8 Å²	110.8	65%	0.653	55%	0.546	S	S	*	.	H	α-helix	trans	-61.4	-42.7	175.2	-83.9	-177.9	165.1	-172.9	-5.6	112.3	K698 K699 M700 Y704 E705 E706	K698-R702 PolarHBondContact O-N 3.37Å; K699-R702 PolarHBondContact O-N 3.1Å; M700-R702 VanDerWaalsContact C-N 3.33Å; M700-R702 PolarHBondContact O-N 2.85Å; R702-Y704 VanDerWaalsContact C-N 3.29Å; R702-Y704 PolarHBondContact O-N 2.76Å; R702-E705 PolarHBondContact O-N 2.8Å; R702-E706 WeakPolarHBondContact O-CB 3.43Å; R702-E706 WeakPolarHBondContact O-CG 3.44Å; R702-E706 PolarHBondContact O-N 3.24Å
703	Q	71.7	Confident	69.4	Low	97 Å²	97	114.6 Å²	114.6	45%	0.453	56%	0.559	S	S	.	*	H	α-helix	trans	-66.3	-32.3	175.5	-68.4	-177.6	-75.2	0	0	111.8	K699 M700 D701 T707	K699-Q703 WeakPolarHBondContact O-CG 3.43Å; K699-Q703 PolarHBondContact O-N 2.75Å; M700-Q703 CarbonylContact O-C 3.6Å; M700-Q703 PolarHBondContact O-N 2.88Å; M700-Q703 VanDerWaalsContact O-N 3.14Å; D701-Q703 PolarHBondContact O-N 2.77Å; Q703-T707 VanDerWaalsContact O-CB 3.25Å; Q703-T707 WeakPolarHBondContact O-CB 3.24Å; Q703-T707 PolarHBondContact O-N 3.21Å; Q703-T707 PolarHBondContact O-OG1 2.77Å
704	Y	66.5	Low	66.7	Low	168 Å²	168	116.6 Å²	116.6	66%	0.659	58%	0.576	S	S	*	*	H	α-helix	trans	-68.6	-41.9	171.9	-111.9	-82.3	0	0	0	112.3	M700 D701 R702 T707 T708	M700-Y704 PolarHBondContact O-N 3.43Å; D701-Y704 CarbonylContact O-C 3.58Å; D701-Y704 WeakPolarHBondContact O-CB 3.42Å; D701-Y704 PolarHBondContact O-N 2.99Å; D701-Y704 VanDerWaalsContact O-N 3.17Å; R702-Y704 VanDerWaalsContact C-N 3.29Å; R702-Y704 PolarHBondContact O-N 2.76Å; Y704-T707 PolarHBondContact O-N 3.21Å; Y704-T708 WeakPolarHBondContact O-CB 3.5Å; Y704-T708 WeakPolarHBondContact O-CG2 3.23Å; Y704-T708 PolarHBondContact O-N 3.1Å; Y704-T708 PolarHBondContact O-OG1 3.14Å
705	E	67.1	Low	64.4	Low	108 Å²	108	116 Å²	116	51%	0.505	58%	0.584	S	S	.	*	H	α-helix	trans	-62.8	-43.8	172.1	-80.3	-155.2	168.8	0	0	112.1	D701 R702 T708 K709	D701-E705 PolarHBondContact O-N 3.25Å; R702-E705 PolarHBondContact O-N 2.8Å; E705-T708 WeakPolarHBondContact CA-OG1 3.4Å; E705-T708 PolarHBondContact O-N 3.4Å; E705-T708 PolarHBondContact O-OG1 2.73Å; E705-K709 VanDerWaalsContact O-CB 3.26Å; E705-K709 WeakPolarHBondContact O-CB 3.44Å; E705-K709 VanDerWaalsContact O-CD 3.31Å; E705-K709 WeakPolarHBondContact O-CD 3.11Å; E705-K709 WeakPolarHBondContact O-CG 3.22Å; E705-K709 PolarHBondContact O-N 2.83Å; E705-K709 IonicContact OE2-NZ 3.67Å; E705-K709 PolarHBondContact OE2-NZ 3.1Å
706	E	65.4	Low	61.9	Low	127 Å²	127	120.7 Å²	120.7	59%	0.593	60%	0.604	S	S	*	*	H	α-helix	trans	-66.8	-39.3	178.8	-74.1	170.5	179.7	0	0	111.3	R702 K709 S710	R702-E706 WeakPolarHBondContact O-CB 3.43Å; R702-E706 WeakPolarHBondContact O-CG 3.44Å; R702-E706 PolarHBondContact O-N 3.24Å; E706-K709 PolarHBondContact O-N 3.3Å; E706-S710 WeakPolarHBondContact O-CB 3.41Å; E706-S710 PolarHBondContact O-N 2.93Å; E706-S710 PolarHBondContact O-OG 3.4Å
707	T	60	Low	59.7	Low	79 Å²	79	120.8 Å²	120.8	49%	0.485	61%	0.613	S	S	.	*	H	α-helix	trans	-70.8	-36.7	176.4	-54.1	0	0	0	0	112.2	Q703 Y704 S710 L711	Q703-T707 VanDerWaalsContact O-CB 3.25Å; Q703-T707 WeakPolarHBondContact O-CB 3.24Å; Q703-T707 PolarHBondContact O-N 3.21Å; Q703-T707 PolarHBondContact O-OG1 2.77Å; Y704-T707 PolarHBondContact O-N 3.21Å; T707-S710 PolarHBondContact O-OG 2.87Å; T707-L711 HydrophobicContact CG2-CD1 4.36Å; T707-L711 WeakPolarHBondContact O-CD1 3.13Å; T707-L711 VanDerWaalsContact O-CG 3.28Å; T707-L711 WeakPolarHBondContact O-CG 3.29Å; T707-L711 PolarHBondContact O-N 3.09Å; T707-L711 VanDerWaalsContact O-N 3.17Å
708	T	57.8	Low	57.5	Low	67 Å²	67	124.9 Å²	124.9	41%	0.411	63%	0.629	S	S	.	*	H	α-helix	trans	-73.8	-32.5	174	47.7	0	0	0	0	112.3	Y704 E705 L711 F712	Y704-T708 WeakPolarHBondContact O-CB 3.5Å; Y704-T708 WeakPolarHBondContact O-CG2 3.23Å; Y704-T708 PolarHBondContact O-N 3.1Å; Y704-T708 PolarHBondContact O-OG1 3.14Å; E705-T708 WeakPolarHBondContact CA-OG1 3.4Å; E705-T708 PolarHBondContact O-N 3.4Å; E705-T708 PolarHBondContact O-OG1 2.73Å; T708-L711 PolarHBondContact O-N 3.43Å; T708-F712 WeakPolarHBondContact O-CD2 3.22Å
709	K	55.3	Low	55.3	Low	130 Å²	130	126.6 Å²	126.6	57%	0.565	64%	0.643	S	S	*	*	H	α-helix	trans	-68.9	-35.7	172.6	-73.7	162.2	-172.5	165.2	0	112.3	E705 E706	E705-K709 VanDerWaalsContact O-CB 3.26Å; E705-K709 WeakPolarHBondContact O-CB 3.44Å; E705-K709 VanDerWaalsContact O-CD 3.31Å; E705-K709 WeakPolarHBondContact O-CD 3.11Å; E705-K709 WeakPolarHBondContact O-CG 3.22Å; E705-K709 PolarHBondContact O-N 2.83Å; E705-K709 IonicContact OE2-NZ 3.67Å; E705-K709 PolarHBondContact OE2-NZ 3.1Å; E706-K709 PolarHBondContact O-N 3.3Å
710	S	52.6	Low	53.1	Low	83 Å²	83	127.9 Å²	127.9	58%	0.58	66%	0.655	S	S	*	*	H	α-helix	trans	-73.4	-28.2	175.7	67.4	0	0	0	0	113.5	E706 T707 F712	E706-S710 WeakPolarHBondContact O-CB 3.41Å; E706-S710 PolarHBondContact O-N 2.93Å; E706-S710 PolarHBondContact O-OG 3.4Å; T707-S710 PolarHBondContact O-OG 2.87Å; S710-F712 VanDerWaalsContact C-N 3.25Å; S710-F712 PolarHBondContact O-N 3.05Å
711	L	52.7	Low	51.2	Low	130 Å²	130	128.6 Å²	128.6	68%	0.681	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-11.1	176.4	-79.6	166.9	0	0	0	115	T707 T708	T707-L711 HydrophobicContact CG2-CD1 4.36Å; T707-L711 WeakPolarHBondContact O-CD1 3.13Å; T707-L711 VanDerWaalsContact O-CG 3.28Å; T707-L711 WeakPolarHBondContact O-CG 3.29Å; T707-L711 PolarHBondContact O-N 3.09Å; T707-L711 VanDerWaalsContact O-N 3.17Å; T708-L711 PolarHBondContact O-N 3.43Å
712	F	49.4	Very low	49.1	Very low	174 Å²	174	128.8 Å²	128.8	76%	0.763	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.4	10.7	-172.7	-82.7	-68	0	0	0	116.1	T708 S710	T708-F712 WeakPolarHBondContact O-CD2 3.22Å; S710-F712 VanDerWaalsContact C-N 3.25Å; S710-F712 PolarHBondContact O-N 3.05Å
713	F	44	Very low	47.1	Very low	190 Å²	190	128.4 Å²	128.4	83%	0.833	69%	0.69	S	S	*	*	S	Bend	trans	-137.4	141.6	171.2	-103	-88.9	0	0	0	113.4
714	S	33.2	Very low	45.3	Very low	113 Å²	113	130.9 Å²	130.9	79%	0.79	71%	0.706	S	S	*	*			trans	62.4	73	-173.8	-159.4	0	0	0	0	114.2
715	S	34.7	Very low	43.7	Very low	98 Å²	98	127.5 Å²	127.5	69%	0.685	71%	0.707	S	S	*	*				55.6	109.1	81.5	-174.1	0	0	0	0	114.2
716	N	33.9	Very low	42.1	Very low	174 Å²	174	127 Å²	127	93%	0.93	72%	0.721	S	S	*	*			trans	-122.6	137.4	137.3	-90.1	-44.7	0	0	0	107.6
717	A	37.4	Very low	40.5	Very low	81 Å²	81	126.4 Å²	126.4	67%	0.669	73%	0.731	S	S	*	*			trans	-99.2	157.9	173.9	0	0	0	0	0	110.2
718	E	37.5	Very low	39.3	Very low	181 Å²	181	128.6 Å²	128.6	85%	0.846	74%	0.744	S	S	*	*			trans	71.4	154.3	169.4	-50.2	-163.3	135.9	0	0	118.1
719	L	35.2	Very low	38.2	Very low	155 Å²	155	137.3 Å²	137.3	81%	0.812	77%	0.769	S	S	*	*			trans	60	118.8	-172.4	-84.9	76.1	0	0	0	115.2
720	L	34.1	Very low	37.3	Very low	160 Å²	160	137.8 Å²	137.8	84%	0.838	78%	0.776	S	S	*	*			cis	-141.9	151.8	4.4	-83.2	166.7	0	0	0	111.2
721	S	33.6	Very low	36.2	Very low	114 Å²	114	144 Å²	144	80%	0.797	79%	0.793	S	S	*	*			trans	-94.8	124.5	166	58.1	0	0	0	0	111.5
722	S	33.9	Very low	35.2	Very low	103 Å²	103	146.9 Å²	146.9	72%	0.72	80%	0.801	S	S	*	*			trans	-178.5	149.5	145	56.7	0	0	0	0	112.8
723	L	33.5	Very low	34.7	Very low	165 Å²	165	144.1 Å²	144.1	86%	0.864	80%	0.8	S	S	*	*			trans	63.5	71.7	156.3	-62.4	166.4	0	0	0	118.1
724	D	33.1	Very low	34	Very low	149 Å²	149	143.4 Å²	143.4	80%	0.797	80%	0.804	S	S	*	*				35.1	153.5	100.2	-157.2	11.7	0	0	0	121.2
725	S	33.9	Very low	34	Very low	97 Å²	97	144.9 Å²	144.9	68%	0.678	80%	0.803	S	S	*	*			trans	83.7	103.9	165	-71.4	0	0	0	0	121.5
726	A	32.9	Very low	34.1	Very low	98 Å²	98	149.4 Å²	149.4	81%	0.81	81%	0.81	S	S	*	*			trans	70.2	146.9	137.6	0	0	0	0	0	120.6
727	S	31.4	Very low	34.5	Very low	114 Å²	114	146.8 Å²	146.8	80%	0.797	80%	0.803	S	S	*	*			cis	-160.6	157.9	-17.8	54.1	0	0	0	0	111.2
728	V	35.6	Very low	35	Very low	124 Å²	124	149.1 Å²	149.1	75%	0.752	81%	0.811	S	S	*	*			trans	-76.5	139.3	179.7	175.9	0	0	0	0	112.1	I730	V728-I730 HydrophobicContact CG1-CG1 4.22Å
729	R	34.2	Very low	34.8	Very low	251 Å²	251	145.2 Å²	145.2	95%	0.947	81%	0.81	S	S	*	*			trans	-145.2	136.8	149.7	-106.3	169.1	-155.9	-153.1	3.1	112.3
730	I	36.6	Very low	35.3	Very low	139 Å²	139	143.8 Å²	143.8	71%	0.713	81%	0.81	S	S	*	*			trans	-108.5	140.1	-177.4	-62.9	161.1	0	0	0	108.3	V728	V728-I730 HydrophobicContact CG1-CG1 4.22Å
731	F	29.5	Very low	35.3	Very low	213 Å²	213	143 Å²	143	93%	0.934	81%	0.812	S	S	*	*			trans	-152	149.7	151.1	-106.2	-74	0	0	0	112
732	K	30.6	Very low	35.1	Very low	192 Å²	192	149.2 Å²	149.2	84%	0.835	82%	0.818	S	S	*	*			trans	-102.8	165.6	176.4	-113	-164	171.8	-177.7	0	111
733	P	40	Very low	35.3	Very low	116 Å²	116	152.3 Å²	152.3	75%	0.753	83%	0.825	S	S	*	*			trans	-85.5	177.1	-166.8	36.4	-38.3	0	0	0	114.7
734	L	28.6	Very low	35.8	Very low	175 Å²	175	150.1 Å²	150.1	92%	0.916	82%	0.821	S	S	*	*			trans	-132.1	165.7	173.7	-101.9	163.7	0	0	0	111.7
735	N	32.8	Very low	36.4	Very low	143 Å²	143	148.2 Å²	148.2	77%	0.765	82%	0.817	S	S	*	*			trans	-99.5	169.9	-158.4	-80.3	-16.2	0	0	0	116.6
736	F	38.5	Very low	36.2	Very low	193 Å²	193	150.7 Å²	150.7	85%	0.846	82%	0.821	S	S	*	*			trans	-40.5	163	168.7	-54.3	-93.5	0	0	0	117.6
737	P	40.8	Very low	36.2	Very low	120 Å²	120	151.1 Å²	151.1	78%	0.779	82%	0.818	S	S	*	*				-127.8	156.9	126.1	37.8	-30.9	0	0	0	114.3
738	P	48.7	Very low	37	Very low	129 Å²	129	150.7 Å²	150.7	84%	0.838	81%	0.813	S	S	*	*			trans	-101.8	174.5	179	40	-35.7	0	0	0	114.2
739	A	33.4	Very low	36.7	Very low	99 Å²	99	153.1 Å²	153.1	82%	0.818	82%	0.815	S	S	*	*			trans	-125.7	140.3	172.6	0	0	0	0	0	112.3
740	P	46.4	Very low	36.7	Very low	126 Å²	126	148.6 Å²	148.6	82%	0.818	81%	0.81	S	S	*	*			trans	-106.2	164.1	-178.6	39.4	-34.3	0	0	0	114.5
741	V	32.8	Very low	36.2	Very low	144 Å²	144	146 Å²	146	87%	0.873	81%	0.809	S	S	*	*			trans	-126.8	144.2	170.6	177.2	0	0	0	0	110.1
742	R	30.4	Very low	36.3	Very low	244 Å²	244	141.2 Å²	141.2	92%	0.921	80%	0.801	S	S	*	*			trans	-144.1	143.1	172	-87.3	-171.6	170.2	-172.2	-3	112.2
743	L	36.8	Very low	36.5	Very low	168 Å²	168	138.6 Å²	138.6	88%	0.88	80%	0.802	S	S	*	*			trans	-98.9	155.6	166	-73.4	158.4	0	0	0	110.8
744	P	44.5	Very low	37.3	Very low	119 Å²	119	138.3 Å²	138.3	77%	0.773	80%	0.8	S	S	*	*			trans	-138	-179.6	142.8	32.2	-13	0	0	0	113.2
745	P	45.5	Very low	38.2	Very low	109 Å²	109	136 Å²	136	71%	0.708	80%	0.795	S	S	*	*			trans	-137.5	176.9	-139.9	46.1	-31.1	0	0	0	119.6
746	I	30.3	Very low	38.3	Very low	148 Å²	148	134.7 Å²	134.7	76%	0.759	79%	0.792	S	S	*	*			trans	46.3	113.1	140.1	-63.1	163.2	0	0	0	121.4
747	S	33.6	Very low	38.1	Very low	107 Å²	107	135.5 Å²	135.5	75%	0.748	80%	0.796	S	S	*	*				49.2	177.8	127.8	-47	0	0	0	0	121.5
748	P	46.6	Very low	37.5	Very low	106 Å²	106	133.1 Å²	133.1	69%	0.688	79%	0.793	S	S	*	*			cis	-148.3	-173.9	8.3	48.4	-28.9	0	0	0	119.6
749	Q	31.1	Very low	36.6	Very low	174 Å²	174	132.4 Å²	132.4	81%	0.813	80%	0.798	S	S	*	*			trans	66.2	151.7	160.1	-61.7	-169.7	-3.5	0	0	118.4
750	L	32.5	Very low	36.5	Very low	157 Å²	157	132.1 Å²	132.1	82%	0.822	80%	0.796	S	S	*	*			cis	-158.8	176.8	-13.1	-137.2	68	0	0	0	106.8
751	A	27.9	Very low	36.7	Very low	84 Å²	84	131.9 Å²	131.9	69%	0.694	79%	0.794	S	S	*	*			cis	-142.6	-136	0.2	0	0	0	0	0	108.5
752	S	30.7	Very low	36.8	Very low	112 Å²	112	129.8 Å²	129.8	78%	0.783	79%	0.792	S	S	*	*			cis	-166.9	171.9	-4.5	34.7	0	0	0	0	110
753	T	33.9	Very low	36.9	Very low	137 Å²	137	123.4 Å²	123.4	84%	0.84	79%	0.785	S	S	*	*			trans	-149.6	-171.3	-174.2	55.4	0	0	0	0	112.5
754	P	57.1	Low	36.5	Very low	110 Å²	110	119.7 Å²	119.7	71%	0.714	77%	0.773	S	S	*	*				-118.9	-163.7	-54.5	37.2	-19.7	0	0	0	112.1
755	P	49.1	Very low	35.7	Very low	126 Å²	126	122.1 Å²	122.1	82%	0.818	77%	0.774	S	S	*	*				-154.8	-161.4	95.9	41.3	-20	0	0	0	116.3
756	V	33.4	Very low	35	Very low	116 Å²	116	122.4 Å²	122.4	70%	0.703	77%	0.773	S	S	*	*			trans	-145.1	168	-164.1	-174.3	0	0	0	0	113.3
757	F	34.7	Very low	34.8	Very low	210 Å²	210	120 Å²	120	92%	0.921	77%	0.77	S	S	*	*			trans	82.7	149.7	171	-56.2	-82.1	0	0	0	117.9
758	G	29	Very low	35.4	Very low	70 Å²	70	120.6 Å²	120.6	72%	0.722	77%	0.771	S	S	*	*			cis	166.4	167.5	-10.2	0	0	0	0	0	115.4
759	A	29.8	Very low	35.8	Very low	115 Å²	115	120.6 Å²	120.6	95%	0.95	77%	0.771	S	S	*	*			trans	80.9	160.4	165.4	0	0	0	0	0	122.3
760	A	30.8	Very low	35.7	Very low	92 Å²	92	119.3 Å²	119.3	76%	0.76	77%	0.769	S	S	*	*			trans	-121	-169.3	-178.3	0	0	0	0	0	111.1
761	P	51.1	Low	35.5	Very low	121 Å²	121	118.8 Å²	118.8	79%	0.786	77%	0.767	S	S	*	*				-163.6	-179.9	84.5	44.6	-24	0	0	0	119.4
762	A	33.8	Very low	35.4	Very low	101 Å²	101	119.1 Å²	119.1	84%	0.835	77%	0.77	S	S	*	*			trans	69.3	147.4	146	0	0	0	0	0	120.1
763	S	32.2	Very low	36.1	Very low	109 Å²	109	118.9 Å²	118.9	76%	0.762	77%	0.766	S	S	*	*			cis	-145.7	172.8	-0.1	63.9	0	0	0	0	109.4
764	S	29.1	Very low	35.8	Very low	91 Å²	91	120.3 Å²	120.3	64%	0.636	76%	0.762	S	S	*	*			cis	-149.4	-153.6	4.3	6.1	0	0	0	0	107.9
765	H	28.7	Very low	34.2	Very low	170 Å²	170	122.7 Å²	122.7	79%	0.787	77%	0.766	S	S	*	*			cis	-152.4	-141.6	13.6	-135.2	-49.8	0	0	0	113.2
766	T	29.3	Very low	33.1	Very low	114 Å²	114	120.1 Å²	120.1	70%	0.699	76%	0.755	S	S	*	*			trans	-137	161.7	-162.7	37.8	0	0	0	0	111.7
767	S	26.3	Very low	32.7	Very low	99 Å²	99	120.7 Å²	120.7	69%	0.692	76%	0.759	S	S	*	*			cis	162.3	176.1	-16.4	63.1	0	0	0	0	108.6
768	P	45.4	Very low	32.4	Very low	118 Å²	118	117.2 Å²	117.2	77%	0.766	75%	0.749	S	S	*	*			cis	-126.2	-123.6	-47.3	36	-12.6	0	0	0	112.3
769	P	56.3	Low	32.3	Very low	107 Å²	107	121 Å²	121	70%	0.695	75%	0.752	S	S	*	*			trans	-131.2	-174.7	-140.2	40.4	-17.3	0	0	0	117.7
770	L	28.9	Very low	32.1	Very low	146 Å²	146	124.4 Å²	124.4	76%	0.764	75%	0.748	S	S	*	*				167.4	153	127.8	-89.6	164.4	0	0	0	116
771	D	28.2	Very low	32.3	Very low	147 Å²	147	126.9 Å²	126.9	79%	0.786	75%	0.748	S	S	*	*			trans	60.7	157.5	146.1	-64.7	-22.6	0	0	0	126.4
772	A	25.6	Very low	31.9	Very low	90 Å²	90	126.3 Å²	126.3	74%	0.744	75%	0.745	S	S	*	*			trans	-102.5	-150.8	164.9	0	0	0	0	0	108.2
773	P	46.3	Very low	31.6	Very low	107 Å²	107	126.5 Å²	126.5	70%	0.695	74%	0.74	S	S	*	*			cis	-135.3	-159.2	-8.5	23.1	5.8	0	0	0	112.9
774	H	26.4	Very low	31.5	Very low	167 Å²	167	128.6 Å²	128.6	77%	0.773	74%	0.742	S	S	*	*			trans	65	172.7	166	-75.3	-83.9	0	0	0	117.4
775	M	23.8	Very low	31.4	Very low	161 Å²	161	131.1 Å²	131.1	79%	0.793	75%	0.748	S	S	*	*				-169.1	152.2	-57.3	-133.3	-168.4	-172.6	0	0	108.8
776	A	26.4	Very low	31.6	Very low	71 Å²	71	127.7 Å²	127.7	59%	0.587	74%	0.743	S	S	*	*			trans	65.8	127.2	144.8	0	0	0	0	0	121.6
777	T	24.7	Very low	31.5	Very low	128 Å²	128	129.9 Å²	129.9	79%	0.785	75%	0.745	S	S	*	*			trans	68.6	150.5	130.9	54.1	0	0	0	0	121.2
778	I	27.3	Very low	31.8	Very low	138 Å²	138	132.3 Å²	132.3	71%	0.708	75%	0.75	S	S	*	*			cis	-169.2	156.8	-23.6	-117.7	172.2	0	0	0	106.7
779	L	26.9	Very low	31.1	Very low	150 Å²	150	133.4 Å²	133.4	79%	0.785	75%	0.749	S	S	*	*			trans	62.9	171	169.5	-82.4	163.7	0	0	0	114.9
780	E	27	Very low	29.8	Very low	186 Å²	186	135.9 Å²	135.9	87%	0.869	75%	0.751	S	S	*	*			cis	-121.7	161.8	10.9	-75.6	-178.2	143.9	0	0	114.6
781	N	34.4	Very low	29.8	Very low	144 Å²	144	136.3 Å²	136.3	77%	0.77	75%	0.75	S	S	*	*			trans	-131.3	135.2	168.5	-168.3	21	0	0	0	106.6
782	P	43.1	Very low	29.9	Very low	109 Å²	109	136.6 Å²	136.6	71%	0.708	75%	0.746	S	S	*	*			trans	-146.6	140.7	134	37.6	-23	0	0	0	113
783	S	27.8	Very low	30.1	Very low	104 Å²	104	138.4 Å²	138.4	73%	0.727	74%	0.742	S	S	*	*				146.9	158.5	92.3	54.8	0	0	0	0	107.8
784	L	28.4	Very low	29.2	Very low	154 Å²	154	140.2 Å²	140.2	81%	0.806	74%	0.742	S	S	*	*			cis	-151.9	168.9	-6	-149.4	71.9	0	0	0	110.6
785	D	28.5	Very low	29.4	Very low	143 Å²	143	138.2 Å²	138.2	77%	0.765	73%	0.733	S	S	*	*			trans	-43.3	175	179.1	-45	-50.4	0	0	0	118.9
786	S	31.7	Very low	29.5	Very low	99 Å²	99	135.2 Å²	135.2	69%	0.692	73%	0.734	S	S	*	*			cis	-161	-178.2	17.7	48.2	0	0	0	0	108.9
787	H	28.5	Very low	29.6	Very low	159 Å²	159	140.5 Å²	140.5	74%	0.736	74%	0.744	S	S	*	*			cis	-129.3	174.3	2.5	-96.2	-99.3	0	0	0	107.8
788	L	32.2	Very low	29.8	Very low	151 Å²	151	137.9 Å²	137.9	79%	0.791	74%	0.742	S	S	*	*			cis	97.1	149.2	26	-82.8	177.1	0	0	0	117.7
789	D	30.1	Very low	30.1	Very low	140 Å²	140	142.9 Å²	142.9	75%	0.749	75%	0.752	S	S	*	*			trans	87.5	138.8	-175.2	-53.2	2.9	0	0	0	116.8
790	E	29.3	Very low	30.8	Very low	159 Å²	159	142.2 Å²	142.2	74%	0.743	76%	0.756	S	S	*	*			cis	-164.6	152	-35.9	-123.8	-178.6	-170	0	0	111.3
791	E	29.8	Very low	30.9	Very low	156 Å²	156	138.4 Å²	138.4	73%	0.729	76%	0.757	S	S	*	*			trans	33	161.2	143.3	-69.8	-170.5	170.9	0	0	124.5
792	E	30.3	Very low	30.7	Very low	153 Å²	153	135.2 Å²	135.2	72%	0.715	76%	0.758	S	S	*	*			cis	-155.3	-164.1	-8.1	-127.9	-157.5	164.6	0	0	114.3
793	L	28.3	Very low	29.9	Very low	127 Å²	127	135.3 Å²	135.3	67%	0.665	77%	0.768	S	S	*	*			trans	-67.6	-174.4	-180	-58.3	125.1	0	0	0	114.9
794	Q	27.3	Very low	29.9	Very low	146 Å²	146	136.4 Å²	136.4	68%	0.682	77%	0.77	S	S	*	*			cis	-157.9	-175.2	2.7	-137.7	161.3	-75.9	0	0	106.7
795	E	30.5	Very low	29.9	Very low	124 Å²	124	138.3 Å²	138.3	58%	0.579	77%	0.767	S	S	*	*			cis	-159.9	151.3	0.2	-179.5	157.7	-100.6	0	0	109.6	F797	E795-F797 HydrophobicContact CG-CD2 4.41Å; E795-F797 HydrophobicContact CG-CE2 3.98Å; E795-F797 HydrophobicContact CG-CZ 4.38Å; E795-F797 WeakPolarHBondContact OE2-CE2 3.48Å; E795-F797 WeakPolarHBondContact OE2-CZ 3.38Å
796	A	26	Very low	29.9	Very low	99 Å²	99	141.2 Å²	141.2	82%	0.818	77%	0.767	S	S	*	*			trans	-160.2	120.9	155.1	0	0	0	0	0	113.9
797	F	30.3	Very low	29.8	Very low	182 Å²	182	141 Å²	141	80%	0.798	77%	0.765	S	S	*	*			trans	-66.5	158.5	177.9	-57.9	-94.4	0	0	0	113.5	E795	E795-F797 HydrophobicContact CG-CD2 4.41Å; E795-F797 HydrophobicContact CG-CE2 3.98Å; E795-F797 HydrophobicContact CG-CZ 4.38Å; E795-F797 WeakPolarHBondContact OE2-CE2 3.48Å; E795-F797 WeakPolarHBondContact OE2-CZ 3.38Å
798	G	27.1	Very low	29.8	Very low	72 Å²	72	141.4 Å²	141.4	74%	0.742	77%	0.765	S	S	*	*			cis	169.6	177.9	-1.2	0	0	0	0	0	112.4
799	R	35.1	Very low	30	Very low	244 Å²	244	141.3 Å²	141.3	92%	0.921	76%	0.761	S	S	*	*			trans	-126.7	151.5	173.4	-73.1	-175.5	178.6	176.9	0.5	111.3
800	P	41.2	Very low	30	Very low	135 Å²	135	140.6 Å²	140.6	88%	0.877	76%	0.757	S	S	*	*			trans	-97.5	161.3	150.8	-1.5	22.2	0	0	0	112
801	A	29.4	Very low	30	Very low	107 Å²	107	139.2 Å²	139.2	88%	0.884	75%	0.754	S	S	*	*			trans	-151.3	167.4	176.8	0	0	0	0	0	110.6
802	G	30.2	Very low	30	Very low	77 Å²	77	137.5 Å²	137.5	79%	0.794	76%	0.755	S	S	*	*			trans	172.3	162.7	168.5	0	0	0	0	0	118.4
803	A	26.8	Very low	30	Very low	110 Å²	110	135.7 Å²	135.7	91%	0.909	75%	0.746	S	S	*	*			trans	68.4	105.8	160.9	0	0	0	0	0	119.7
804	T	27.8	Very low	29.9	Very low	127 Å²	127	139 Å²	139	78%	0.779	75%	0.75	S	S	*	*			trans	-102.9	163.7	-178.4	48.8	0	0	0	0	114
805	R	27.4	Very low	29.8	Very low	194 Å²	194	139 Å²	139	73%	0.732	76%	0.755	S	S	*	*			trans	79	123.1	141.5	-83.6	172.3	171.6	-165.7	1	123.2
806	R	28.8	Very low	30.3	Very low	205 Å²	205	138.3 Å²	138.3	77%	0.774	76%	0.761	S	S	*	*			trans	71.5	155.9	132.1	-66.3	177.1	177.7	-172.4	-4.1	118
807	S	28.8	Very low	30.4	Very low	94 Å²	94	140.5 Å²	140.5	66%	0.657	76%	0.756	S	S	*	*			cis	-156.7	155.2	2.5	-142.1	0	0	0	0	112.8
808	F	30.1	Very low	30.3	Very low	167 Å²	167	140 Å²	140	73%	0.732	75%	0.748	S	S	*	*			trans	52.9	164.3	149.1	-90.1	-160.6	0	0	0	120.6
809	E	35.5	Very low	30.4	Very low	149 Å²	149	146.7 Å²	146.7	70%	0.696	75%	0.751	S	S	*	*			cis	-130.1	144.9	-1.7	-114.2	121	162.4	0	0	107.9
810	D	29.5	Very low	30.1	Very low	125 Å²	125	139.3 Å²	139.3	67%	0.668	74%	0.737	S	S	*	*				72.9	141.7	73.8	-144.3	29.1	0	0	0	113.3
811	L	29	Very low	29.7	Very low	130 Å²	130	140.1 Å²	140.1	68%	0.681	73%	0.734	S	S	*	*			cis	-116.4	-172.5	3.3	-61.6	136.8	0	0	0	109.9
812	T	31.6	Very low	29.7	Very low	121 Å²	121	143.2 Å²	143.2	74%	0.742	73%	0.728	S	S	*	*			cis	-139.5	160.5	12.1	31.1	0	0	0	0	108.5
813	E	28.6	Very low	30	Very low	114 Å²	114	145.3 Å²	145.3	53%	0.533	73%	0.73	S	S	.	*			cis	81.7	127.4	43.6	-53.6	-127.3	138.8	0	0	115.9
814	R	26.4	Very low	30.3	Very low	197 Å²	197	150 Å²	150	74%	0.743	73%	0.73	S	S	*	*			cis	-155.9	138	-11.3	-100.5	168.5	-177.8	150.8	2.4	106.4
815	N	24.7	Very low	30.6	Very low	147 Å²	147	150.2 Å²	150.2	79%	0.786	73%	0.726	S	S	*	*				57.3	145	69.8	-102.1	-44.9	0	0	0	114.6
816	P	42	Very low	31	Very low	109 Å²	109	148.8 Å²	148.8	71%	0.708	73%	0.725	S	S	*	*			cis	-148.2	162.9	44	42.4	-22.7	0	0	0	120.6
817	M	28.5	Very low	31.4	Very low	144 Å²	144	150.5 Å²	150.5	71%	0.709	73%	0.732	S	S	*	*			trans	73.7	146.8	140.2	-85.2	-166.6	-167.3	0	0	121.3
818	R	28.6	Very low	31.9	Very low	172 Å²	172	153.7 Å²	153.7	65%	0.649	74%	0.74	S	S	*	*			cis	-167.6	146.3	-8.8	-146.5	178.5	-168	178	3.7	112.6
819	R	28.5	Very low	32.1	Very low	212 Å²	212	152.2 Å²	152.2	80%	0.8	74%	0.736	S	S	*	*			trans	62.9	159.7	154.7	-87.1	169.3	-179.1	179.8	-2.6	117
820	S	28	Very low	32	Very low	90 Å²	90	154.8 Å²	154.8	63%	0.629	74%	0.739	S	S	*	*			cis	-152.1	162.6	-6.4	-155.9	0	0	0	0	111.9
821	N	32.6	Very low	32.2	Very low	151 Å²	151	156.6 Å²	156.6	81%	0.807	74%	0.743	S	S	*	*			trans	16.5	104	156.2	-61.8	-5.5	0	0	0	120.1
822	K	31	Very low	32.3	Very low	173 Å²	173	158.3 Å²	158.3	75%	0.752	75%	0.748	S	S	*	*			trans	-159.7	-1.1	149.5	-121.1	169.7	-175.3	179.7	0	117.8	K824	K822-K824 PolarHBondContact O-N 2.77Å
823	S	35.7	Very low	32.2	Very low	121 Å²	121	160 Å²	160	85%	0.846	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-0.2	-168.7	50.6	0	0	0	0	117.3
824	K	32.2	Very low	32.3	Very low	208 Å²	208	160.4 Å²	160.4	90%	0.904	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.9	9.5	177.5	-92.4	-167.2	173.9	-172	0	115.4	K822	K822-K824 PolarHBondContact O-N 2.77Å
825	L	35.2	Very low	32.5	Very low	132 Å²	132	157.7 Å²	157.7	69%	0.691	75%	0.752	S	S	*	*	S	Bend	trans	-113.7	-8.3	-177.9	-130	141.9	0	0	0	114.2
826	F	35.6	Very low	32.9	Very low	163 Å²	163	154.9 Å²	154.9	72%	0.715	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	13.3	-176.3	-93	-79.5	0	0	0	115.6
827	R	38.1	Very low	32.2	Very low	242 Å²	242	159.5 Å²	159.5	91%	0.913	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.4	6	-179.4	-137.9	175.8	-172.3	171.2	2.2	115.3
828	L	38.1	Very low	32.4	Very low	160 Å²	160	159.9 Å²	159.9	84%	0.838	75%	0.753	S	S	*	*	S	Bend	trans	-119.7	2.3	173.7	-81.9	165.2	0	0	0	113.5
829	Q	35.5	Very low	32.6	Very low	136 Å²	136	158 Å²	158	64%	0.636	76%	0.761	S	S	*	*	S	Bend	trans	-112.8	21.1	179.2	-152.4	172.7	9	0	0	113
830	R	32.7	Very low	32.5	Very low	203 Å²	203	157.2 Å²	157.2	77%	0.766	77%	0.766	S	S	*	*	S	Bend	trans	-113.3	-6.4	170.8	-170.1	175.3	-80.2	-154.1	-3.7	112.9
831	Q	33.8	Very low	32.4	Very low	163 Å²	163	162.8 Å²	162.8	76%	0.762	80%	0.803	S	S	*	*	S	Bend	trans	-96	2.5	-178.3	-148.7	67.1	40.8	0	0	113.7
832	H	30.3	Very low	32.4	Very low	166 Å²	166	163.4 Å²	163.4	77%	0.769	80%	0.802	S	S	*	*	S	Bend	trans	-135.7	21.1	-174.1	-151.3	-49.1	0	0	0	112
833	Q	29.8	Very low	32.5	Very low	157 Å²	157	162.8 Å²	162.8	73%	0.734	81%	0.805	S	S	*	*	S	Bend	trans	-142.4	37.9	-177.3	-156.8	174.7	32.1	0	0	110.8
834	I	32.1	Very low	32.3	Very low	122 Å²	122	165.2 Å²	165.2	63%	0.626	80%	0.803	S	S	*	*	S	Bend	trans	-113.4	-40	172.1	-63.6	177.7	0	0	0	108.7	S836	I834-S836 PolarHBondContact O-N 2.98Å
835	D	30.6	Very low	32.3	Very low	141 Å²	141	162.6 Å²	162.6	75%	0.754	80%	0.797	S	S	*	*	S	Bend	trans	-76.1	29.8	-177.8	-40.7	-56.7	0	0	0	114.7
836	S	32.4	Very low	32.1	Very low	87 Å²	87	164.6 Å²	164.6	61%	0.608	80%	0.803	S	S	*	*			trans	-162.1	85.9	172.1	40.8	0	0	0	0	112.5	I834	I834-S836 PolarHBondContact O-N 2.98Å
837	K	27.3	Very low	31.9	Very low	206 Å²	206	164.7 Å²	164.7	90%	0.896	81%	0.809	S	S	*	*			trans	-172.8	76.7	150.8	-108.4	169.9	-176.8	-163.9	0	113.1
838	E	31.8	Very low	31.5	Very low	152 Å²	152	159.1 Å²	159.1	71%	0.71	80%	0.802	S	S	*	*			trans	-72.1	170.2	142.7	-67.5	-179.2	111.2	0	0	109.6
839	T	33.7	Very low	31	Very low	134 Å²	134	159.1 Å²	159.1	82%	0.822	80%	0.799	S	S	*	*			trans	64.8	79.8	174.2	65	0	0	0	0	116.5
840	Q	27.1	Very low	30.6	Very low	194 Å²	194	161 Å²	161	91%	0.907	81%	0.813	S	S	*	*				166.1	92.3	124	-91.8	-173.4	-13.8	0	0	111.5
841	C	25.4	Very low	30.4	Very low	207 Å²	207	157.2 Å²	157.2	100%	1.399	82%	0.817	S	S	*	*				-142.1	0	107.8	-89.1	0	0	0	0	107.5

Retrieved 841 of 841 residues in 442.1 ms (Link to these results)

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