A0A087XPD6_POEFO Loading...

Serine/threonine-protein kinase/endoribonuclease IRE1

AlphaFold DB , UniProt , Accession A0A087XPD6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,060 aa.

						>A0A087XPD6_POEFO|A0A087XPD6
MDWPVRKRALLCCILALFFYAGPQKGFCSASTVALPESLLFVSTLDGNLHAVSKKSGSIKWTLKEDPVLQVPTHVAEPAFLPDPNDGSLYSLGGKNNEGLTKLPFTIPELVQASPCRSSDGILYMGKKQDLWYVVDLLTGEKQQTLTSSFAEMLCPSSSLLYLGRTEYTITMYDTKNRELRWNATYSDYASTLPDDDMKYKMAHFVSNGDGLVVTVDSETGDVQWVQNYNSPVVAMYIWQREGLRKVPHTNVAVETLRYLTFMSGEVGRITQWKYPFPKEKKPKNKFMATLYVGKYSTSLYASPSLVHDGVTVVPRGSTFPLLEGPDSQETEEDKECVITPSTSVKFNAGLRERNRINFMRNYLLLIGHHETPPEAHTKILETFPENFPRNQGNVIPPTTDKKGEEKVNDSGMDDRQPSTSIQEPGTSSRTARPEAPVDSMLKDMATIIFSTFLLAGWVAFVIIYPKSVHKQQQLQHQEFQRQMEERLELLQRQQPFSPADVGLAPDGDFLDVARTRSDCSDHSSPNVTPHASNHSNLSVSEVGSSIYEHEDGEEDFSTVRVGNITFHPKQVLGHGAEGTMVYKGQFDNRPVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTERDRQFQYIAIELCAATLQEYVEKKDFNRHGLEPVMLLQQTMSGLAHLHSLKIVHRDLKPHNILVSMPNAHGRVRAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEVLSEDFKDNPTYAVDIFSAGCVFYYVVSQGSHPFGKSLQRQANILLGGYSLDYLQSDKHGEIVARDLIEQMLSMDPQRRPSAESVLKHPFFWTLEKELQFFQDVSDRIEKEPLDGPIVRQLERGGRAVVKGDWREHITVPLQTDLRKFRSYKGGSVRDLLRAMRNKKHHYRELPIEVQETLGSIPDDFVSYFTSRFPHLLMHTYLAMRTCAPERPFLPYYPTAEQLQKTQSQGLQRLTEPCTQPLPDHTTLPTLQTQESTPLTQCGQSLPSSREHPVPSDFSVHAAHPEVLGLTPPSENVSQWPAVPLMPEVLAILDDKTSAD
					

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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	37.6	Very low	52	Low	238 Å²	238	141.8 Å²	141.8	100%	1.172	68%	0.683	S	S	*	*				0	135.8	0	-74.3	-173.8	174.1	0	0	108.1
2	D	43.2	Very low	52.3	Low	159 Å²	159	137.1 Å²	137.1	85%	0.85	67%	0.674	S	S	*	*			trans	-94.5	125.9	-154.1	-59.8	-90.4	0	0	0	112.7
3	W	38.6	Very low	52.2	Low	186 Å²	186	132.5 Å²	132.5	71%	0.705	66%	0.663	S	S	*	*			trans	-100.3	112.8	169.4	-162.1	-115.4	0	0	0	108.5	K7	W3-K7 HydrophobicContact CD2-CD 4.21Å; W3-K7 VanDerWaalsContact CE2-CD 3.42Å; W3-K7 HydrophobicContact CH2-CD 4.46Å; W3-K7 VanDerWaalsContact CH2-NZ 3.27Å; W3-K7 HydrophobicContact CZ2-CD 3.58Å
4	P	62.9	Low	52.5	Low	78 Å²	78	128.5 Å²	128.5	51%	0.506	64%	0.643	S	S	.	*			trans	-70.3	147.3	-158.6	24.5	-34.7	0	0	0	114	R6 K7	P4-R6 PolarHBondContact O-N 3.38Å; P4-K7 PolarHBondContact O-N 3.01Å
5	V	56.9	Low	52.6	Low	118 Å²	118	126.2 Å²	126.2	72%	0.715	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.3	-31.4	-171.9	180	0	0	0	0	114.1	K7 R8 A9	V5-K7 PolarHBondContact O-N 3.02Å; V5-K7 VanDerWaalsContact O-N 3.15Å; V5-R8 PolarHBondContact O-N 2.81Å; V5-A9 PolarHBondContact O-N 2.91Å; V5-A9 VanDerWaalsContact O-N 3.07Å
6	R	52.5	Low	52.3	Low	224 Å²	224	121.8 Å²	121.8	85%	0.845	62%	0.623	S	S	*	*	H	α-helix	trans	-56.5	-28.9	175	-74.3	-173.8	173.7	-177	-2.2	113.6	P4 L10	P4-R6 PolarHBondContact O-N 3.38Å; R6-L10 PolarHBondContact O-N 3Å
7	K	54.2	Low	51.9	Low	103 Å²	103	122 Å²	122	45%	0.448	63%	0.625	S	S	.	*	H	α-helix	trans	-81.7	-18.8	174.8	-68.2	-174.7	178.6	-177.9	0	113.7	W3 P4 V5 L11	W3-K7 HydrophobicContact CD2-CD 4.21Å; W3-K7 VanDerWaalsContact CE2-CD 3.42Å; W3-K7 HydrophobicContact CH2-CD 4.46Å; W3-K7 VanDerWaalsContact CH2-NZ 3.27Å; W3-K7 HydrophobicContact CZ2-CD 3.58Å; P4-K7 PolarHBondContact O-N 3.01Å; V5-K7 PolarHBondContact O-N 3.02Å; V5-K7 VanDerWaalsContact O-N 3.15Å; K7-L11 WeakPolarHBondContact O-CB 3.44Å; K7-L11 PolarHBondContact O-N 2.96Å
8	R	56.2	Low	51.6	Low	184 Å²	184	124.3 Å²	124.3	69%	0.694	63%	0.63	S	S	*	*	H	α-helix	trans	-77.2	-41.7	167.9	-73.2	-174.5	175.6	174.4	-0.9	111.5	V5 L10 L11 C12	V5-R8 PolarHBondContact O-N 2.81Å; R8-L10 PolarHBondContact O-N 2.98Å; R8-L11 PolarHBondContact O-N 3.41Å; R8-C12 PolarHBondContact O-N 3.04Å; R8-C12 PolarHBondContact O-SG 2.75Å; R8-C12 VanDerWaalsContact O-SG 3.35Å
9	A	54.8	Low	51.1	Low	55 Å²	55	127.2 Å²	127.2	46%	0.455	64%	0.638	S	S	.	*	H	α-helix	trans	-57.4	-47.6	173.6	0	0	0	0	0	111.7	V5 L11 C12 C13	V5-A9 PolarHBondContact O-N 2.91Å; V5-A9 VanDerWaalsContact O-N 3.07Å; A9-L11 VanDerWaalsContact C-N 3.34Å; A9-L11 PolarHBondContact O-N 2.79Å; A9-C12 PolarHBondContact O-N 2.82Å; A9-C13 PolarHBondContact O-N 2.93Å; A9-C13 PolarHBondContact O-SG 3.24Å; A9-C13 VanDerWaalsContact O-SG 3.36Å
10	L	58	Low	50.5	Low	113 Å²	113	131.9 Å²	131.9	59%	0.592	65%	0.649	S	S	*	*	H	α-helix	trans	-60.8	-40.9	177.1	-164.2	72.1	0	0	0	112.4	R6 R8 C13 I14	R6-L10 PolarHBondContact O-N 3Å; R8-L10 PolarHBondContact O-N 2.98Å; L10-C13 PolarHBondContact O-N 2.93Å; L10-I14 HydrophobicContact CG-CD1 4.06Å; L10-I14 VanDerWaalsContact O-CG1 3.3Å; L10-I14 WeakPolarHBondContact O-CG1 3.49Å; L10-I14 PolarHBondContact O-N 3.46Å
11	L	57.1	Low	49.8	Very low	102 Å²	102	129.3 Å²	129.3	53%	0.534	65%	0.649	S	S	.	*	H	α-helix	trans	-66.5	-39.7	177.5	-170.1	66.2	0	0	0	112.2	K7 R8 A9 I14 L15	K7-L11 WeakPolarHBondContact O-CB 3.44Å; K7-L11 PolarHBondContact O-N 2.96Å; R8-L11 PolarHBondContact O-N 3.41Å; A9-L11 VanDerWaalsContact C-N 3.34Å; A9-L11 PolarHBondContact O-N 2.79Å; L11-I14 PolarHBondContact O-N 3.48Å; L11-L15 HydrophobicContact CD1-CD1 4.5Å; L11-L15 HydrophobicContact CG-CD1 4.07Å; L11-L15 WeakPolarHBondContact O-CB 3.49Å; L11-L15 WeakPolarHBondContact O-CG 3.48Å; L11-L15 PolarHBondContact O-N 2.86Å
12	C	56	Low	49.6	Very low	85 Å²	85	120 Å²	120	57%	0.574	62%	0.615	S	S	*	*	H	α-helix	trans	-65.3	-39.9	174.3	-67.1	0	0	0	0	112.3	R8 A9 L15 A16	R8-C12 PolarHBondContact O-N 3.04Å; R8-C12 PolarHBondContact O-SG 2.75Å; R8-C12 VanDerWaalsContact O-SG 3.35Å; A9-C12 PolarHBondContact O-N 2.82Å; C12-L15 PolarHBondContact O-N 3.21Å; C12-A16 WeakPolarHBondContact O-CB 3.48Å; C12-A16 PolarHBondContact O-N 3.02Å
13	C	51.1	Low	49.1	Very low	78 Å²	78	118.8 Å²	118.8	53%	0.527	62%	0.615	S	S	.	*	H	α-helix	trans	-65.1	-40.9	174.9	-67.3	0	0	0	0	112.2	A9 L10 A16 L17	A9-C13 PolarHBondContact O-N 2.93Å; A9-C13 PolarHBondContact O-SG 3.24Å; A9-C13 VanDerWaalsContact O-SG 3.36Å; L10-C13 PolarHBondContact O-N 2.93Å; C13-A16 PolarHBondContact O-N 3.45Å; C13-L17 WeakPolarHBondContact O-CG 3.37Å; C13-L17 PolarHBondContact O-N 3.48Å
14	I	56.4	Low	48.6	Very low	76 Å²	76	118.6 Å²	118.6	39%	0.39	62%	0.622	S	S	.	*	H	α-helix	trans	-67.3	-42.7	177	-69.4	167.4	0	0	0	111	L10 L11 L17 F18	L10-I14 HydrophobicContact CG-CD1 4.06Å; L10-I14 VanDerWaalsContact O-CG1 3.3Å; L10-I14 WeakPolarHBondContact O-CG1 3.49Å; L10-I14 PolarHBondContact O-N 3.46Å; L11-I14 PolarHBondContact O-N 3.48Å; I14-L17 PolarHBondContact O-N 3.04Å; I14-F18 HydrophobicContact CG2-CD2 3.97Å; I14-F18 HydrophobicContact CG2-CE2 4.23Å; I14-F18 WeakPolarHBondContact O-CD2 3.27Å; I14-F18 PolarHBondContact O-N 2.89Å
15	L	52.8	Low	47.2	Very low	94 Å²	94	123.5 Å²	123.5	49%	0.492	64%	0.635	S	S	.	*	H	α-helix	trans	-68.2	-33.6	177	-72.4	170.6	0	0	0	112.8	L11 C12 F18 F19	L11-L15 HydrophobicContact CD1-CD1 4.5Å; L11-L15 HydrophobicContact CG-CD1 4.07Å; L11-L15 WeakPolarHBondContact O-CB 3.49Å; L11-L15 WeakPolarHBondContact O-CG 3.48Å; L11-L15 PolarHBondContact O-N 2.86Å; C12-L15 PolarHBondContact O-N 3.21Å; L15-F18 PolarHBondContact O-N 2.93Å; L15-F19 PolarHBondContact O-N 2.94Å; L15-F19 VanDerWaalsContact O-N 3.15Å
16	A	47.9	Very low	45.7	Very low	56 Å²	56	120.5 Å²	120.5	46%	0.463	63%	0.628	S	S	.	*	H	α-helix	trans	-64.5	-42.6	171.6	0	0	0	0	0	111.8	C12 C13 F19 Y20	C12-A16 WeakPolarHBondContact O-CB 3.48Å; C12-A16 PolarHBondContact O-N 3.02Å; C13-A16 PolarHBondContact O-N 3.45Å; A16-F19 PolarHBondContact O-N 2.89Å; A16-Y20 PolarHBondContact O-N 3.08Å; A16-Y20 VanDerWaalsContact O-N 3.07Å
17	L	45.6	Very low	44.7	Very low	125 Å²	125	118.3 Å²	118.3	65%	0.654	63%	0.625	S	S	*	*	H	α-helix	trans	-64.3	-38.7	175.8	-76.1	165	0	0	0	112.3	C13 I14 F19 A21	C13-L17 WeakPolarHBondContact O-CG 3.37Å; C13-L17 PolarHBondContact O-N 3.48Å; I14-L17 PolarHBondContact O-N 3.04Å; L17-F19 VanDerWaalsContact C-N 3.35Å; L17-F19 PolarHBondContact O-N 3.26Å; L17-A21 VanDerWaalsContact O-CB 3.22Å; L17-A21 WeakPolarHBondContact O-CB 3.48Å; L17-A21 PolarHBondContact O-N 2.97Å; L17-A21 VanDerWaalsContact O-N 3.11Å
18	F	46.2	Very low	43.5	Very low	163 Å²	163	118.9 Å²	118.9	72%	0.715	64%	0.641	S	S	*	*	H	α-helix	trans	-73.9	-17.7	176.7	-91.4	-77.2	0	0	0	115	I14 L15	I14-F18 HydrophobicContact CG2-CD2 3.97Å; I14-F18 HydrophobicContact CG2-CE2 4.23Å; I14-F18 WeakPolarHBondContact O-CD2 3.27Å; I14-F18 PolarHBondContact O-N 2.89Å; L15-F18 PolarHBondContact O-N 2.93Å
19	F	43.1	Very low	42.3	Very low	180 Å²	180	113.6 Å²	113.6	79%	0.789	63%	0.632	S	S	*	*	H	α-helix	trans	-98.2	-19	175.3	-97	-85.4	0	0	0	114.9	L15 A16 L17	L15-F19 PolarHBondContact O-N 2.94Å; L15-F19 VanDerWaalsContact O-N 3.15Å; A16-F19 PolarHBondContact O-N 2.89Å; L17-F19 VanDerWaalsContact C-N 3.35Å; L17-F19 PolarHBondContact O-N 3.26Å
20	Y	37.9	Very low	41.3	Very low	220 Å²	220	114.2 Å²	114.2	86%	0.863	64%	0.637	S	S	*	*	H	α-helix	trans	-96.3	-9.6	170.6	-95.9	-90.3	0	0	0	114.3	A16	A16-Y20 PolarHBondContact O-N 3.08Å; A16-Y20 VanDerWaalsContact O-N 3.07Å
21	A	37	Very low	40.2	Very low	79 Å²	79	112 Å²	112	65%	0.653	63%	0.631	S	S	*	*			trans	-98.9	39.7	168	0	0	0	0	0	112.8	L17	L17-A21 VanDerWaalsContact O-CB 3.22Å; L17-A21 WeakPolarHBondContact O-CB 3.48Å; L17-A21 PolarHBondContact O-N 2.97Å; L17-A21 VanDerWaalsContact O-N 3.11Å
22	G	32.3	Very low	39.2	Very low	43 Å²	43	111.6 Å²	111.6	44%	0.443	63%	0.633	S	S	.	*	S	Bend	trans	-57.3	156.6	149.8	0	0	0	0	0	109	Q24	G22-Q24 PolarHBondContact O-N 2.86Å
23	P	32.4	Very low	38.7	Very low	132 Å²	132	108.6 Å²	108.6	86%	0.857	61%	0.612	S	S	*	*			trans	-63.1	100.6	-179.5	26.6	-33.7	0	0	0	109.1	K25	P23-K25 PolarHBondContact O-N 3.28Å
24	Q	28.8	Very low	38.4	Very low	183 Å²	183	108.9 Å²	108.9	86%	0.855	62%	0.62	S	S	*	*			trans	-53	108.3	145.7	-78.7	-166.2	-6.3	0	0	104.8	G22 G26	G22-Q24 PolarHBondContact O-N 2.86Å; Q24-G26 PolarHBondContact O-N 2.91Å
25	K	33.4	Very low	38.2	Very low	180 Å²	180	106.2 Å²	106.2	78%	0.783	61%	0.606	S	S	*	*			trans	-49.8	96.9	143.6	-72.3	-179.9	176.3	-178.6	0	105.2	P23 F27	P23-K25 PolarHBondContact O-N 3.28Å; K25-F27 PolarHBondContact O-N 2.99Å
26	G	26.5	Very low	38.3	Very low	55 Å²	55	105.2 Å²	105.2	57%	0.567	61%	0.606	S	S	*	*			trans	-50.6	94.4	140	0	0	0	0	0	105.7	Q24 C28	Q24-G26 PolarHBondContact O-N 2.91Å; G26-C28 VanDerWaalsContact O-CB 3.28Å; G26-C28 WeakPolarHBondContact O-CB 3.4Å; G26-C28 PolarHBondContact O-N 2.72Å
27	F	31	Very low	38.8	Very low	179 Å²	179	111.2 Å²	111.2	79%	0.785	62%	0.624	S	S	*	*				-58.6	97.4	129.8	-78.8	-93.9	0	0	0	104.5	K25	K25-F27 PolarHBondContact O-N 2.99Å
28	C	28.7	Very low	39.9	Very low	114 Å²	114	107.4 Å²	107.4	77%	0.77	61%	0.608	S	S	*	*			cis	11.7	56	37.6	-58.9	0	0	0	0	112.3	G26 A30	G26-C28 VanDerWaalsContact O-CB 3.28Å; G26-C28 WeakPolarHBondContact O-CB 3.4Å; G26-C28 PolarHBondContact O-N 2.72Å; C28-A30 PolarHBondContact O-N 3.34Å
29	S	31.6	Very low	41.8	Very low	73 Å²	73	100.8 Å²	100.8	51%	0.51	58%	0.58	S	S	.	*				-49.8	91	121.8	51.5	0	0	0	0	105.3	S31	S29-S31 PolarHBondContact O-N 3.23Å
30	A	32.6	Very low	44.1	Very low	69 Å²	69	92.2 Å²	92.2	57%	0.57	54%	0.542	S	S	*	.				-47.8	98.9	128.5	0	0	0	0	0	102.9	C28 T32	C28-A30 PolarHBondContact O-N 3.34Å; A30-T32 PolarHBondContact O-N 3.16Å
31	S	35	Very low	46.7	Very low	65 Å²	65	81.7 Å²	81.7	46%	0.455	50%	0.501	S	S	.	.			trans	-63.5	92.4	172	-62.1	0	0	0	0	103	S29 V33 S158	S29-S31 PolarHBondContact O-N 3.23Å; S31-V33 PolarHBondContact O-N 3.38Å; S31-S158 VanDerWaalsContact O-O 3.06Å
32	T	37.3	Very low	49.4	Very low	95 Å²	95	78 Å²	78	58%	0.583	47%	0.47	S	S	*	.			trans	-46.8	135.4	173.4	40.5	0	0	0	0	106	A30 A34 E242	A30-T32 PolarHBondContact O-N 3.16Å; T32-A34 PolarHBondContact O-N 2.84Å; T32-E242 VanDerWaalsContact CA-OE1 3.31Å; T32-E242 WeakPolarHBondContact CA-OE1 3.35Å; T32-E242 WeakPolarHBondContact CB-OE1 3.48Å; T32-E242 VanDerWaalsContact CG2-OE1 3.31Å; T32-E242 WeakPolarHBondContact CG2-OE1 3.46Å
33	V	45.8	Very low	52.4	Low	21 Å²	21	76 Å²	76	13%	0.127	45%	0.45	C	S	.	.			trans	-76	81.8	-174	-175.7	0	0	0	0	105.5	S31 L35 L137 E242	S31-V33 PolarHBondContact O-N 3.38Å; V33-L35 HydrophobicContact CG1-CD1 3.75Å; V33-L35 PolarHBondContact O-N 2.84Å; V33-L137 HydrophobicContact CG1-CB 4.49Å; V33-L137 HydrophobicContact CG1-CD2 3.65Å; V33-E242 PolarHBondContact N-OE1 3.28Å
34	A	43.8	Very low	55.3	Low	84 Å²	84	69.7 Å²	69.7	69%	0.694	41%	0.409	S	S	*	.			trans	-74	73.4	-176.6	0	0	0	0	0	107.1	T32	T32-A34 PolarHBondContact O-N 2.84Å
35	L	53.4	Low	58.3	Low	20 Å²	20	61.1 Å²	61.1	11%	0.105	37%	0.369	C	S	.	.			trans	-49.2	129	172.3	-97	91.1	0	0	0	107.7	V33 E37 L39 F41 L137 L161 W239	V33-L35 HydrophobicContact CG1-CD1 3.75Å; V33-L35 PolarHBondContact O-N 2.84Å; L35-E37 PolarHBondContact O-N 3.15Å; L35-E37 VanDerWaalsContact O-N 3.16Å; L35-L39 HydrophobicContact CD2-CB 4.44Å; L35-L39 HydrophobicContact CD2-CD1 4.05Å; L35-F41 HydrophobicContact CD2-CE2 3.95Å; L35-F41 HydrophobicContact CD2-CZ 3.62Å; L35-L137 HydrophobicContact CD1-CD1 3.83Å; L35-L137 HydrophobicContact CD1-CD2 3.87Å; L35-L137 HydrophobicContact CD1-CG 4.46Å; L35-L137 HydrophobicContact CD2-CD1 3.54Å; L35-L137 HydrophobicContact CG-CD1 3.5Å; L35-L137 VanDerWaalsContact CG-CD1 3.5Å; L35-L137 HydrophobicContact CG-CD2 3.75Å; L35-L137 HydrophobicContact CG-CG 4.28Å; L35-L161 HydrophobicContact CD1-CD1 3.75Å; L35-L161 HydrophobicContact CD2-CD1 4.49Å; L35-W239 HydrophobicContact CB-CB 4.3Å; L35-W239 HydrophobicContact CB-CG 4.3Å; L35-W239 HydrophobicContact CD1-CB 4.32Å; L35-W239 VanDerWaalsContact CD1-CD1 3.43Å; L35-W239 HydrophobicContact CD1-CD2 4.03Å; L35-W239 HydrophobicContact CD1-CG 3.7Å; L35-W239 HydrophobicContact CD2-CB 3.75Å; L35-W239 HydrophobicContact CD2-CG 4.04Å; L35-W239 HydrophobicContact CG-CB 4.32Å; L35-W239 HydrophobicContact CG-CG 4.2Å
36	P	54.3	Low	61	Low	73 Å²	73	53.4 Å²	53.4	47%	0.474	34%	0.336	S	S	.	.			trans	-52.1	127.5	169.9	-26.3	35.2	0	0	0	108.9	S38 L39	P36-S38 WeakPolarHBondContact CB-OG 3.33Å; P36-S38 PolarHBondContact O-N 2.62Å; P36-L39 PolarHBondContact O-N 2.83Å
37	E	58.2	Low	64	Low	182 Å²	182	50.9 Å²	50.9	85%	0.85	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-0.5	-179.4	-56.1	-178.8	135.4	0	0	113.8	L35 K54	L35-E37 PolarHBondContact O-N 3.15Å; L35-E37 VanDerWaalsContact O-N 3.16Å; E37-K54 WeakPolarHBondContact O-CD 3.48Å
38	S	69.2	Low	66.9	Low	45 Å²	45	43.2 Å²	43.2	32%	0.315	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	4.7	173.8	61.8	0	0	0	0	115	P36 S53 K54	P36-S38 WeakPolarHBondContact CB-OG 3.33Å; P36-S38 PolarHBondContact O-N 2.62Å; S38-S53 CarbonylContact O-C 3.34Å; S38-S53 WeakPolarHBondContact O-CA 3.35Å; S38-K54 VanDerWaalsContact O-CB 3.27Å; S38-K54 WeakPolarHBondContact O-CB 3.37Å; S38-K54 PolarHBondContact O-N 3.2Å
39	L	85.8	Confident	70	Confident	24 Å²	24	37.8 Å²	37.8	13%	0.126	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	146.2	174.6	-67.3	-177	0	0	0	113.1	L35 P36 V52 K60 L137	L35-L39 HydrophobicContact CD2-CB 4.44Å; L35-L39 HydrophobicContact CD2-CD1 4.05Å; P36-L39 PolarHBondContact O-N 2.83Å; L39-V52 WeakPolarHBondContact CA-O 3.46Å; L39-K60 HydrophobicContact CD2-CG 4.03Å; L39-L137 HydrophobicContact CD1-CD1 4.2Å
40	L	90.8	Very high	73	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	142.2	177.5	-177.5	75.8	0	0	0	106.2	V52 K54 Y200 W225 M236 Y237 I238	L40-V52 HydrophobicContact CB-CG2 3.88Å; L40-V52 HydrophobicContact CD2-CG2 4.1Å; L40-V52 HydrophobicContact CG-CG2 4.31Å; L40-V52 PolarHBondContact N-O 2.89Å; L40-V52 WeakPolarHBondContact O-CG2 3.32Å; L40-V52 PolarHBondContact O-N 2.97Å; L40-K54 HydrophobicContact CB-CB 4.48Å; L40-Y200 WeakPolarHBondContact CD1-OH 3.27Å; L40-W225 HydrophobicContact CD2-CH2 4.06Å; L40-W225 HydrophobicContact CD2-CZ2 3.71Å; L40-M236 HydrophobicContact CD2-CE 3.77Å; L40-Y237 CarbonylContact C-O 3.6Å; L40-Y237 WeakPolarHBondContact CD1-O 3.32Å; L40-I238 HydrophobicContact CD1-CG2 3.75Å
41	F	92.8	Very high	75.9	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	136.1	177.8	-57.4	-98	0	0	0	109.4	L35 L49 H50 A51 W61 L161 M236 Y237 W239 L244	L35-F41 HydrophobicContact CD2-CE2 3.95Å; L35-F41 HydrophobicContact CD2-CZ 3.62Å; F41-L49 HydrophobicContact CB-CD1 3.99Å; F41-L49 HydrophobicContact CB-CG 4.33Å; F41-L49 HydrophobicContact CD1-CD2 4.26Å; F41-L49 HydrophobicContact CD1-CG 4.39Å; F41-H50 CarbonylContact C-O 3.55Å; F41-H50 VanDerWaalsContact CA-O 3.32Å; F41-H50 WeakPolarHBondContact CA-O 3.11Å; F41-A51 HydrophobicContact CD1-CB 4.01Å; F41-A51 HydrophobicContact CE1-CB 3.94Å; F41-W61 HydrophobicContact CD1-CH2 4.16Å; F41-W61 AromaticContact CE1-CH2 3.66Å; F41-W61 HydrophobicContact CE1-CH2 3.66Å; F41-W61 AromaticContact CE1-CZ2 3.85Å; F41-W61 HydrophobicContact CE1-CZ2 3.85Å; F41-L161 HydrophobicContact CE1-CD2 4.05Å; F41-L161 HydrophobicContact CZ-CD2 4.21Å; F41-M236 CarbonylContact O-C 3.58Å; F41-M236 VanDerWaalsContact O-CA 3.3Å; F41-M236 WeakPolarHBondContact O-CA 3.25Å; F41-Y237 PolarHBondContact N-O 2.93Å; F41-Y237 PolarHBondContact O-N 3.03Å; F41-W239 HydrophobicContact CE2-CB 4.06Å; F41-L244 HydrophobicContact CD2-CD2 3.78Å; F41-L244 HydrophobicContact CE2-CD2 4.06Å; F41-L244 HydrophobicContact CG-CD2 4.16Å
42	V	94.9	Very high	78.6	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	114.6	-177.5	-178.1	0	0	0	0	107.9	H50 V52 Y229 V233 M236	V42-H50 HydrophobicContact CB-CB 4.45Å; V42-H50 PolarHBondContact N-O 3.08Å; V42-H50 PolarHBondContact O-N 3.11Å; V42-V52 HydrophobicContact CG2-CG1 4.35Å; V42-V52 HydrophobicContact CG2-CG2 4.01Å; V42-Y229 HydrophobicContact CB-CE1 4.21Å; V42-Y229 HydrophobicContact CG1-CD1 4.4Å; V42-Y229 HydrophobicContact CG1-CD2 4.11Å; V42-Y229 HydrophobicContact CG1-CE1 4.23Å; V42-Y229 HydrophobicContact CG1-CE2 3.95Å; V42-Y229 HydrophobicContact CG1-CG 4.34Å; V42-Y229 HydrophobicContact CG2-CE1 4.41Å; V42-Y229 HydrophobicContact CG2-CE2 4.48Å; V42-V233 HydrophobicContact CG1-CB 4.18Å; V42-V233 HydrophobicContact CG1-CG1 3.62Å; V42-V233 HydrophobicContact CG1-CG2 3.44Å; V42-V233 VanDerWaalsContact CG1-CG2 3.44Å; V42-M236 HydrophobicContact CG2-CE 4.1Å
43	S	94.9	Very high	81.1	Confident	2 Å²	2	24.7 Å²	24.7	1%	0.014	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	136	176.8	-167.5	0	0	0	0	110.3	N48 V233 V234 A235	S43-N48 WeakPolarHBondContact CA-O 3.37Å; S43-N48 PolarHBondContact OG-O 2.92Å; S43-V233 WeakPolarHBondContact O-CA 3.33Å; S43-V234 PolarHBondContact O-N 2.9Å; S43-A235 PolarHBondContact N-O 2.79Å
44	T	93.7	Very high	83	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	156.9	-178	55.8	0	0	0	0	111.9	D46 G47 N48 V68 S231 P232 V233	T44-D46 VanDerWaalsContact CB-OD1 3.28Å; T44-D46 WeakPolarHBondContact CB-OD1 3.47Å; T44-D46 PolarHBondContact O-N 3.42Å; T44-D46 VanDerWaalsContact O-N 3.16Å; T44-D46 PolarHBondContact OG1-OD1 3.02Å; T44-G47 PolarHBondContact O-N 3.19Å; T44-N48 PolarHBondContact N-O 2.9Å; T44-N48 VanDerWaalsContact N-O 3.13Å; T44-N48 VanDerWaalsContact OG1-CB 3.25Å; T44-N48 WeakPolarHBondContact OG1-CB 3.18Å; T44-N48 PolarHBondContact OG1-ND2 3.26Å; T44-V68 WeakPolarHBondContact O-CG2 3.16Å; T44-S231 WeakPolarHBondContact CB-OG 3.44Å; T44-P232 CarbonylContact C-O 3.6Å; T44-P232 VanDerWaalsContact CA-O 3.23Å; T44-P232 WeakPolarHBondContact CA-O 3.4Å; T44-V233 HydrophobicContact CG2-CG2 3.91Å
45	L	90.7	Very high	84.9	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.01	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-35.5	-175	179.9	52.6	0	0	0	113.5	G47 V68 L69 P84 P232 V234 Y296 Y301	L45-G47 PolarHBondContact O-N 3.24Å; L45-V68 HydrophobicContact CD1-CB 4.38Å; L45-V68 PolarHBondContact O-N 2.82Å; L45-L69 HydrophobicContact CD1-CB 4.12Å; L45-L69 HydrophobicContact CD1-CD1 4.11Å; L45-L69 HydrophobicContact CD1-CG 4.2Å; L45-P84 HydrophobicContact CD1-CB 3.74Å; L45-P84 HydrophobicContact CD1-CG 4.48Å; L45-P232 HydrophobicContact CB-CB 4.18Å; L45-P232 HydrophobicContact CB-CG 4.39Å; L45-P232 HydrophobicContact CD2-CB 4.32Å; L45-P232 HydrophobicContact CD2-CG 4.04Å; L45-P232 PolarHBondContact N-O 2.93Å; L45-V234 HydrophobicContact CB-CG1 3.9Å; L45-Y296 VanDerWaalsContact CD2-CB 3.49Å; L45-Y296 HydrophobicContact CD2-CD1 4.37Å; L45-Y296 HydrophobicContact CD2-CD2 4.21Å; L45-Y296 HydrophobicContact CD2-CG 3.73Å; L45-Y296 HydrophobicContact CG-CD1 4.09Å; L45-Y296 HydrophobicContact CG-CD2 4.45Å; L45-Y296 HydrophobicContact CG-CG 3.9Å; L45-Y301 HydrophobicContact CD2-CD1 3.9Å; L45-Y301 HydrophobicContact CD2-CE1 3.63Å; L45-Y301 HydrophobicContact CD2-CE2 4.27Å; L45-Y301 HydrophobicContact CD2-CG 4.32Å
46	D	89.4	Confident	86.3	Confident	19 Å²	19	32.4 Å²	32.4	10%	0.102	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	2.5	177.7	74.9	-55.3	0	0	0	114.8	T44 N48 K64 S231 Y296	T44-D46 VanDerWaalsContact CB-OD1 3.28Å; T44-D46 WeakPolarHBondContact CB-OD1 3.47Å; T44-D46 PolarHBondContact O-N 3.42Å; T44-D46 VanDerWaalsContact O-N 3.16Å; T44-D46 PolarHBondContact OG1-OD1 3.02Å; D46-N48 VanDerWaalsContact CG-ND2 3.34Å; D46-N48 PolarHBondContact OD1-ND2 2.86Å; D46-N48 VanDerWaalsContact OD1-ND2 3.1Å; D46-N48 PolarHBondContact OD2-ND2 3.19Å; D46-N48 PolarHBondContact OD2-OD1 3.3Å; D46-K64 PolarHBondContact O-NZ 2.95Å; D46-K64 IonicContact OD2-NZ 3.73Å; D46-K64 PolarHBondContact OD2-NZ 2.8Å; D46-S231 VanDerWaalsContact CG-OG 3.28Å; D46-S231 PolarHBondContact N-OG 2.84Å; D46-S231 WeakPolarHBondContact OD1-CB 3.48Å; D46-S231 PolarHBondContact OD1-OG 3.09Å; D46-Y296 HydrophobicContact CB-CE1 3.93Å; D46-Y296 HydrophobicContact CB-CE2 4.18Å; D46-Y296 VanDerWaalsContact CB-CZ 3.47Å; D46-Y296 WeakPolarHBondContact CB-OH 3.2Å
47	G	89.4	Confident	87.9	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.01	15%	0.147	C	C	.	.	S	Bend	trans	90.8	14.7	175.8	0	0	0	0	0	114.9	T44 L45 E65	T44-G47 PolarHBondContact O-N 3.19Å; L45-G47 PolarHBondContact O-N 3.24Å; G47-E65 PolarHBondContact O-N 3.48Å
48	N	93	Very high	89.3	Confident	18 Å²	18	22.2 Å²	22.2	10%	0.096	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	151.6	170.2	-47.9	-32.7	0	0	0	110.8	S43 T44 D46 H50 T62 L63 K64	S43-N48 WeakPolarHBondContact CA-O 3.37Å; S43-N48 PolarHBondContact OG-O 2.92Å; T44-N48 PolarHBondContact N-O 2.9Å; T44-N48 VanDerWaalsContact N-O 3.13Å; T44-N48 VanDerWaalsContact OG1-CB 3.25Å; T44-N48 WeakPolarHBondContact OG1-CB 3.18Å; T44-N48 PolarHBondContact OG1-ND2 3.26Å; D46-N48 VanDerWaalsContact CG-ND2 3.34Å; D46-N48 PolarHBondContact OD1-ND2 2.86Å; D46-N48 VanDerWaalsContact OD1-ND2 3.1Å; D46-N48 PolarHBondContact OD2-ND2 3.19Å; D46-N48 PolarHBondContact OD2-OD1 3.3Å; N48-H50 WeakPolarHBondContact CB-NE2 3.48Å; N48-H50 PolarHBondContact ND2-CE1 3.49Å; N48-H50 PolarHBondContact ND2-NE2 2.98Å; N48-T62 HydrophobicContact CB-CG2 3.82Å; N48-L63 CarbonylContact C-O 3.56Å; N48-L63 WeakPolarHBondContact CA-O 3.3Å; N48-K64 WeakPolarHBondContact OD1-CD 3.45Å; N48-K64 WeakPolarHBondContact OD1-CE 3.38Å; N48-K64 PolarHBondContact OD1-NZ 3.36Å
49	L	94.1	Very high	90.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	103.4	157.3	-173.1	73.7	0	0	0	108.2	F41 L63 L163 Y189 Y237	F41-L49 HydrophobicContact CB-CD1 3.99Å; F41-L49 HydrophobicContact CB-CG 4.33Å; F41-L49 HydrophobicContact CD1-CD2 4.26Å; F41-L49 HydrophobicContact CD1-CG 4.39Å; L49-L63 HydrophobicContact CB-CB 4.31Å; L49-L63 PolarHBondContact N-O 3Å; L49-L63 PolarHBondContact O-N 2.88Å; L49-L163 HydrophobicContact CD2-CD1 3.71Å; L49-Y189 HydrophobicContact CB-CE2 4.21Å; L49-Y189 HydrophobicContact CD1-CD2 4.3Å; L49-Y189 HydrophobicContact CD1-CE2 4.13Å; L49-Y189 HydrophobicContact CD2-CD1 4.42Å; L49-Y189 HydrophobicContact CD2-CE1 4Å; L49-Y189 HydrophobicContact CD2-CE2 4.38Å; L49-Y189 HydrophobicContact CG-CE2 4.49Å; L49-Y237 HydrophobicContact CD1-CD2 4.41Å
50	H	94.2	Very high	90.6	Very high	11 Å²	11	28.7 Å²	28.7	5%	0.051	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	121.1	178.7	-55	-76.5	0	0	0	110	F41 V42 N48 V52 I59 T62 Y229	F41-H50 CarbonylContact C-O 3.55Å; F41-H50 VanDerWaalsContact CA-O 3.32Å; F41-H50 WeakPolarHBondContact CA-O 3.11Å; V42-H50 HydrophobicContact CB-CB 4.45Å; V42-H50 PolarHBondContact N-O 3.08Å; V42-H50 PolarHBondContact O-N 3.11Å; N48-H50 WeakPolarHBondContact CB-NE2 3.48Å; N48-H50 PolarHBondContact ND2-CE1 3.49Å; N48-H50 PolarHBondContact ND2-NE2 2.98Å; H50-V52 HydrophobicContact CB-CG1 4Å; H50-I59 HydrophobicContact CB-CG1 4.44Å; H50-T62 VanDerWaalsContact ND1-CG2 3.32Å; H50-T62 WeakPolarHBondContact ND1-CG2 3.4Å; H50-T62 PolarHBondContact ND1-OG1 3.23Å; H50-Y229 HydrophobicContact CB-CD1 4.24Å; H50-Y229 HydrophobicContact CB-CE1 4.11Å; H50-Y229 AromaticContact CD2-CD1 3.44Å; H50-Y229 VanDerWaalsContact CD2-CD1 3.44Å; H50-Y229 WeakPolarHBondContact CD2-CD1 3.36Å; H50-Y229 AromaticContact CG-CD1 3.83Å; H50-Y229 AromaticContact NE2-CD1 3.91Å
51	A	92.5	Very high	90.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	124.2	164.5	0	0	0	0	0	108.9	F41 K60 W61	F41-A51 HydrophobicContact CD1-CB 4.01Å; F41-A51 HydrophobicContact CE1-CB 3.94Å; A51-K60 WeakPolarHBondContact O-CB 3.33Å; A51-K60 PolarHBondContact O-N 2.87Å; A51-W61 HydrophobicContact CB-CD2 3.46Å; A51-W61 VanDerWaalsContact CB-CD2 3.46Å; A51-W61 HydrophobicContact CB-CE3 3.75Å; A51-W61 HydrophobicContact CB-CG 4.11Å; A51-W61 HydrophobicContact CB-CH2 3.92Å; A51-W61 HydrophobicContact CB-CZ2 3.62Å; A51-W61 HydrophobicContact CB-CZ3 3.96Å; A51-W61 PolarHBondContact N-O 3.27Å
52	V	92.5	Very high	90.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	154.3	-174	-48.7	0	0	0	0	112.6	L39 L40 V42 H50 K54 G57 S58 I59 Y229	L39-V52 WeakPolarHBondContact CA-O 3.46Å; L40-V52 HydrophobicContact CB-CG2 3.88Å; L40-V52 HydrophobicContact CD2-CG2 4.1Å; L40-V52 HydrophobicContact CG-CG2 4.31Å; L40-V52 PolarHBondContact N-O 2.89Å; L40-V52 WeakPolarHBondContact O-CG2 3.32Å; L40-V52 PolarHBondContact O-N 2.97Å; V42-V52 HydrophobicContact CG2-CG1 4.35Å; V42-V52 HydrophobicContact CG2-CG2 4.01Å; H50-V52 HydrophobicContact CB-CG1 4Å; V52-K54 PolarHBondContact O-N 3.16Å; V52-G57 WeakPolarHBondContact CB-O 3.48Å; V52-S58 WeakPolarHBondContact CA-O 3.22Å; V52-I59 HydrophobicContact CG1-CB 4.47Å; V52-I59 HydrophobicContact CG1-CG1 3.94Å; V52-Y229 HydrophobicContact CG1-CE1 3.76Å; V52-Y229 WeakPolarHBondContact CG1-OH 3.2Å
53	S	89.1	Confident	90.5	Very high	16 Å²	16	32.6 Å²	32.6	11%	0.112	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	113.4	173.4	171.6	0	0	0	0	110.9	S38 K55 S56 G57 S58	S38-S53 CarbonylContact O-C 3.34Å; S38-S53 WeakPolarHBondContact O-CA 3.35Å; S53-K55 PolarHBondContact O-N 3.43Å; S53-S56 WeakPolarHBondContact CB-OG 3.48Å; S53-S56 PolarHBondContact O-N 3.4Å; S53-S56 PolarHBondContact OG-OG 2.73Å; S53-G57 PolarHBondContact O-N 3.39Å; S53-S58 WeakPolarHBondContact CB-OG 3.28Å; S53-S58 PolarHBondContact N-O 3.13Å
54	K	86.3	Confident	90.3	Very high	60 Å²	60	37.7 Å²	37.7	26%	0.261	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-28.1	173.6	-173	178.5	179.3	180	0	113.4	E37 S38 L40 V52 M202 W225	E37-K54 WeakPolarHBondContact O-CD 3.48Å; S38-K54 VanDerWaalsContact O-CB 3.27Å; S38-K54 WeakPolarHBondContact O-CB 3.37Å; S38-K54 PolarHBondContact O-N 3.2Å; L40-K54 HydrophobicContact CB-CB 4.48Å; V52-K54 PolarHBondContact O-N 3.16Å; K54-M202 HydrophobicContact CD-SD 4.22Å; K54-M202 HydrophobicContact CG-CE 4.27Å; K54-M202 HydrophobicContact CG-SD 3.54Å; K54-M202 VanDerWaalsContact CG-SD 3.54Å; K54-M202 VanDerWaalsContact O-CE 3.24Å; K54-M202 WeakPolarHBondContact O-CE 3.42Å; K54-W225 PolarHBondContact O-NE1 2.82Å
55	K	83.8	Confident	90.2	Very high	170 Å²	170	38.8 Å²	38.8	74%	0.739	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-18.8	178.3	-70.5	-172	176.1	-177.3	0	114.9	S53	S53-K55 PolarHBondContact O-N 3.43Å
56	S	83.8	Confident	90	Very high	57 Å²	57	42.7 Å²	42.7	40%	0.399	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-145.5	-1.3	-165.7	55.5	0	0	0	0	115.8	S53 S58	S53-S56 WeakPolarHBondContact CB-OG 3.48Å; S53-S56 PolarHBondContact O-N 3.4Å; S53-S56 PolarHBondContact OG-OG 2.73Å; S56-S58 PolarHBondContact O-N 2.68Å; S56-S58 PolarHBondContact OG-OG 2.82Å
57	G	85.9	Confident	90	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.223	C	C	.	.			trans	68.8	-18.7	-175.8	0	0	0	0	0	114.9	V52 S53 I59 W225	V52-G57 WeakPolarHBondContact CB-O 3.48Å; S53-G57 PolarHBondContact O-N 3.39Å; G57-I59 PolarHBondContact O-N 3.44Å; G57-W225 VanDerWaalsContact CA-CD2 3.41Å; G57-W225 VanDerWaalsContact N-CG 3.3Å
58	S	88.1	Confident	90	Very high	42 Å²	42	44 Å²	44	29%	0.294	22%	0.224	S	C	.	.			trans	-58.7	123.8	-176.2	62.5	0	0	0	0	112.6	V52 S53 S56	V52-S58 WeakPolarHBondContact CA-O 3.22Å; S53-S58 WeakPolarHBondContact CB-OG 3.28Å; S53-S58 PolarHBondContact N-O 3.13Å; S56-S58 PolarHBondContact O-N 2.68Å; S56-S58 PolarHBondContact OG-OG 2.82Å
59	I	91.5	Very high	89.8	Confident	70 Å²	70	43.7 Å²	43.7	36%	0.359	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	140.4	173.5	-58.2	167.5	0	0	0	110.4	H50 V52 G57 Y229	H50-I59 HydrophobicContact CB-CG1 4.44Å; V52-I59 HydrophobicContact CG1-CB 4.47Å; V52-I59 HydrophobicContact CG1-CG1 3.94Å; G57-I59 PolarHBondContact O-N 3.44Å; I59-Y229 HydrophobicContact CD1-CD1 4.07Å; I59-Y229 HydrophobicContact CD1-CE1 4.13Å; I59-Y229 HydrophobicContact CG1-CD1 4.39Å; I59-Y229 HydrophobicContact CG1-CE1 3.95Å
60	K	90.9	Very high	89.4	Confident	134 Å²	134	46.5 Å²	46.5	58%	0.583	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.2	-47.1	172.4	-65.5	-56.9	-170.7	-179.4	0	111.2	L39 A51	L39-K60 HydrophobicContact CD2-CG 4.03Å; A51-K60 WeakPolarHBondContact O-CB 3.33Å; A51-K60 PolarHBondContact O-N 2.87Å
61	W	91.9	Very high	88.6	Confident	15 Å²	15	46.4 Å²	46.4	6%	0.057	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	168	173.5	51.6	-112.3	0	0	0	110.4	F41 A51 L63 V135 L137 T139 G140 L161	F41-W61 HydrophobicContact CD1-CH2 4.16Å; F41-W61 AromaticContact CE1-CH2 3.66Å; F41-W61 HydrophobicContact CE1-CH2 3.66Å; F41-W61 AromaticContact CE1-CZ2 3.85Å; F41-W61 HydrophobicContact CE1-CZ2 3.85Å; A51-W61 HydrophobicContact CB-CD2 3.46Å; A51-W61 VanDerWaalsContact CB-CD2 3.46Å; A51-W61 HydrophobicContact CB-CE3 3.75Å; A51-W61 HydrophobicContact CB-CG 4.11Å; A51-W61 HydrophobicContact CB-CH2 3.92Å; A51-W61 HydrophobicContact CB-CZ2 3.62Å; A51-W61 HydrophobicContact CB-CZ3 3.96Å; A51-W61 PolarHBondContact N-O 3.27Å; W61-L63 HydrophobicContact CZ3-CB 4.02Å; W61-V135 HydrophobicContact CH2-CG1 4.38Å; W61-L137 PolarHBondContact NE1-O 3.31Å; W61-T139 VanDerWaalsContact CB-O 3.23Å; W61-T139 WeakPolarHBondContact CB-O 3.32Å; W61-G140 VanDerWaalsContact CG-CA 3.43Å; W61-L161 HydrophobicContact CH2-CD2 3.92Å; W61-L161 HydrophobicContact CZ2-CD2 3.92Å
62	T	92.8	Very high	87.3	Confident	63 Å²	63	47.2 Å²	47.2	39%	0.387	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	117.7	179.1	-56.4	0	0	0	0	109.5	N48 H50	N48-T62 HydrophobicContact CB-CG2 3.82Å; H50-T62 VanDerWaalsContact ND1-CG2 3.32Å; H50-T62 WeakPolarHBondContact ND1-CG2 3.4Å; H50-T62 PolarHBondContact ND1-OG1 3.23Å
63	L	91.4	Very high	85.5	Confident	5 Å²	5	51.3 Å²	51.3	3%	0.026	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	136.8	164.6	178	67.6	0	0	0	108.6	N48 L49 W61 E65 Y133 V135 K142 L163	N48-L63 CarbonylContact C-O 3.56Å; N48-L63 WeakPolarHBondContact CA-O 3.3Å; L49-L63 HydrophobicContact CB-CB 4.31Å; L49-L63 PolarHBondContact N-O 3Å; L49-L63 PolarHBondContact O-N 2.88Å; W61-L63 HydrophobicContact CZ3-CB 4.02Å; L63-E65 WeakPolarHBondContact CD1-OE1 3.21Å; L63-E65 HydrophobicContact CD2-CG 4.47Å; L63-E65 HydrophobicContact CG-CG 4.37Å; L63-Y133 HydrophobicContact CD2-CD2 4.39Å; L63-V135 HydrophobicContact CD1-CG2 4.37Å; L63-V135 HydrophobicContact CD2-CG2 4.22Å; L63-K142 HydrophobicContact CD1-CB 3.82Å; L63-K142 HydrophobicContact CD1-CD 4.34Å; L63-L163 HydrophobicContact CD2-CD1 4Å
64	K	91.3	Very high	83.7	Confident	109 Å²	109	57 Å²	57	47%	0.474	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	117.8	178.9	-175.8	62.4	170.6	177	0	111.1	D46 N48	D46-K64 PolarHBondContact O-NZ 2.95Å; D46-K64 IonicContact OD2-NZ 3.73Å; D46-K64 PolarHBondContact OD2-NZ 2.8Å; N48-K64 WeakPolarHBondContact OD1-CD 3.45Å; N48-K64 WeakPolarHBondContact OD1-CE 3.38Å; N48-K64 PolarHBondContact OD1-NZ 3.36Å
65	E	90.9	Very high	82	Confident	22 Å²	22	56.7 Å²	56.7	10%	0.103	29%	0.293	C	S	.	.			trans	-121.7	179.6	171.3	-56.2	-56.7	139.4	0	0	110.6	G47 L63 Y133 K142	G47-E65 PolarHBondContact O-N 3.48Å; L63-E65 WeakPolarHBondContact CD1-OE1 3.21Å; L63-E65 HydrophobicContact CD2-CG 4.47Å; L63-E65 HydrophobicContact CG-CG 4.37Å; E65-Y133 VanDerWaalsContact CD-CE1 3.49Å; E65-Y133 HydrophobicContact CG-CE1 4.26Å; E65-Y133 HydrophobicContact CG-CE2 3.87Å; E65-Y133 WeakPolarHBondContact CG-OH 3.41Å; E65-Y133 VanDerWaalsContact OE2-CE1 3.24Å; E65-Y133 WeakPolarHBondContact OE2-CE1 3.48Å; E65-Y133 VanDerWaalsContact OE2-CZ 3.31Å; E65-Y133 PolarHBondContact OE2-OH 3.41Å; E65-Y133 VanDerWaalsContact OE2-OH 3.08Å; E65-K142 WeakPolarHBondContact OE1-CD 3.47Å; E65-K142 WeakPolarHBondContact OE1-CE 3.26Å; E65-K142 IonicContact OE1-NZ 3.5Å; E65-K142 PolarHBondContact OE1-NZ 3.22Å; E65-K142 IonicContact OE2-NZ 3.58Å; E65-K142 PolarHBondContact OE2-NZ 3.39Å
66	D	88.1	Confident	80.4	Confident	85 Å²	85	52 Å²	52	46%	0.455	29%	0.286	S	S	.	.	S	Bend	trans	-60.7	151.2	172.3	-77.3	-24.9	0	0	0	111.5	R165	D66-R165 PolarHBondContact O-NH1 2.89Å; D66-R165 PolarHBondContact O-NH2 3.12Å
67	P	89.1	Confident	78.8	Confident	44 Å²	44	55.8 Å²	55.8	29%	0.286	30%	0.298	S	S	.	.			trans	-53.8	151.1	-176.2	-29	36.6	0	0	0	115.3	L69	P67-L69 VanDerWaalsContact C-N 3.27Å; P67-L69 PolarHBondContact O-N 2.96Å
68	V	88.8	Confident	77.2	Confident	3 Å²	3	58.2 Å²	58.2	2%	0.018	31%	0.313	C	S	.	.	S	Bend	trans	-66.5	-28.9	-179.2	168.6	0	0	0	0	112.4	T44 L45 P84 Y186 S187 V234	T44-V68 WeakPolarHBondContact O-CG2 3.16Å; L45-V68 HydrophobicContact CD1-CB 4.38Å; L45-V68 PolarHBondContact O-N 2.82Å; V68-P84 HydrophobicContact CG1-CB 4.5Å; V68-Y186 HydrophobicContact CG1-CD2 4.26Å; V68-Y186 HydrophobicContact CG1-CE2 4.08Å; V68-Y186 WeakPolarHBondContact O-CA 3.26Å; V68-S187 PolarHBondContact O-N 3.49Å; V68-V234 HydrophobicContact CG1-CG2 4.23Å; V68-V234 HydrophobicContact CG2-CG2 4.14Å
69	L	88.1	Confident	76.1	Confident	11 Å²	11	56.7 Å²	56.7	6%	0.058	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	134.7	171.4	-72.5	175.5	0	0	0	110.3	L45 P67 P82 P84 T185 Y186	L45-L69 HydrophobicContact CD1-CB 4.12Å; L45-L69 HydrophobicContact CD1-CD1 4.11Å; L45-L69 HydrophobicContact CD1-CG 4.2Å; P67-L69 VanDerWaalsContact C-N 3.27Å; P67-L69 PolarHBondContact O-N 2.96Å; L69-P82 HydrophobicContact CD1-CB 4.31Å; L69-P82 HydrophobicContact CD1-CG 4Å; L69-P82 HydrophobicContact CD2-CB 3.81Å; L69-P82 HydrophobicContact CD2-CG 3.77Å; L69-P82 HydrophobicContact CG-CG 4.46Å; L69-P84 HydrophobicContact CD1-CB 3.72Å; L69-P84 HydrophobicContact CD1-CG 4.42Å; L69-P84 HydrophobicContact CG-CB 4.23Å; L69-T185 WeakPolarHBondContact CA-O 3.15Å; L69-Y186 HydrophobicContact CD2-CD2 3.75Å; L69-Y186 HydrophobicContact CD2-CG 4.38Å
70	Q	86.1	Confident	75.3	Confident	60 Å²	60	55.1 Å²	55.1	28%	0.28	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	118	169	-56.3	179.2	22.8	0	0	108	A184 T185	Q70-A184 CarbonylContact O-C 3.49Å; Q70-A184 WeakPolarHBondContact O-CA 3.29Å; Q70-T185 PolarHBondContact N-O 3.4Å; Q70-T185 PolarHBondContact O-N 2.95Å
71	V	76.8	Confident	74.6	Confident	8 Å²	8	48.8 Å²	48.8	5%	0.048	27%	0.267	C	S	.	.			trans	-141.8	144.6	-173.3	-169.2	0	0	0	0	109.2	P82 W182 A184 S299	V71-P82 HydrophobicContact CG2-CG 3.63Å; V71-W182 HydrophobicContact CG1-CZ2 3.84Å; V71-A184 HydrophobicContact CG2-CB 4.35Å; V71-S299 PolarHBondContact N-OG 2.88Å; V71-S299 PolarHBondContact O-OG 3.08Å
72	P	67.1	Low	74.3	Confident	18 Å²	18	48.1 Å²	48.1	12%	0.117	26%	0.264	C	S	.	.			trans	-65.4	148.2	-171.2	-21.4	35.6	0	0	0	113.8	H74 N183 I396	P72-H74 VanDerWaalsContact C-N 3.34Å; P72-H74 PolarHBondContact O-N 2.9Å; P72-N183 VanDerWaalsContact CD-O 3.23Å; P72-N183 WeakPolarHBondContact CD-O 3.43Å; P72-N183 WeakPolarHBondContact CG-O 3.47Å; P72-I396 HydrophobicContact CG-CD1 4.19Å; P72-I396 HydrophobicContact CG-CG1 4.37Å
73	T	53.4	Low	74.1	Confident	85 Å²	85	45.2 Å²	45.2	52%	0.521	25%	0.246	S	C	.	.	S	Bend	trans	-67.6	-25.2	-177.9	36.9	0	0	0	0	115.3	T298	T73-T298 VanDerWaalsContact CG2-CB 3.49Å; T73-T298 HydrophobicContact CG2-CG2 3.54Å
74	H	52.4	Low	73.9	Confident	136 Å²	136	45.2 Å²	45.2	63%	0.63	25%	0.246	S	C	*	.			trans	-127.1	115.8	-171.2	-65.8	-18.7	0	0	0	108.9	P72	P72-H74 VanDerWaalsContact C-N 3.34Å; P72-H74 PolarHBondContact O-N 2.9Å
75	V	50.1	Low	73.8	Confident	54 Å²	54	41 Å²	41	33%	0.327	23%	0.229	S	C	.	.			trans	-125.9	98.6	-173.6	-151.8	0	0	0	0	108.3	A79	V75-A79 HydrophobicContact CB-CB 3.9Å; V75-A79 HydrophobicContact CG1-CB 3.53Å
76	A	49.8	Very low	73.6	Confident	71 Å²	71	43.3 Å²	43.3	59%	0.587	24%	0.242	S	C	*	.	P	Polyproline II helix	trans	-70.4	135.4	166.9	0	0	0	0	0	108.6	R181	A76-R181 PolarHBondContact O-NH2 3.46Å
77	E	49.4	Very low	73.5	Confident	137 Å²	137	39.2 Å²	39.2	64%	0.64	22%	0.22	S	C	*	.	S	Bend	trans	-54.3	146.1	-170.5	-64.8	-176.7	130.6	0	0	113.2	R181	E77-R181 PolarHBondContact O-NH2 3.27Å
78	P	52.8	Low	73.2	Confident	50 Å²	50	37.4 Å²	37.4	33%	0.325	21%	0.208	S	C	.	.	S	Bend	cis	-73.7	153.4	-7.4	32.4	-36.6	0	0	0	113	G93	P78-G93 VanDerWaalsContact CA-O 3.3Å; P78-G93 WeakPolarHBondContact CA-O 3.23Å; P78-G93 WeakPolarHBondContact CB-O 3.47Å
79	A	64.8	Low	72.6	Confident	11 Å²	11	37.5 Å²	37.5	9%	0.091	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	143.9	178.3	0	0	0	0	0	112.9	V75 S91 L92	V75-A79 HydrophobicContact CB-CB 3.9Å; V75-A79 HydrophobicContact CG1-CB 3.53Å; A79-S91 CarbonylContact O-C 3.58Å; A79-S91 WeakPolarHBondContact O-CA 3.42Å; A79-L92 HydrophobicContact CB-CB 4.4Å; A79-L92 PolarHBondContact N-O 3.47Å; A79-L92 PolarHBondContact O-N 3.29Å
80	F	74.8	Confident	71.7	Confident	36 Å²	36	37.5 Å²	37.5	16%	0.158	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	129.4	179.4	-60.9	-70.4	0	0	0	111.5	Y90 L103 M172 W182	F80-Y90 WeakPolarHBondContact CA-O 3.42Å; F80-L103 HydrophobicContact CD1-CD1 4.02Å; F80-L103 HydrophobicContact CE1-CD1 3.99Å; F80-M172 HydrophobicContact CD2-SD 4.28Å; F80-M172 HydrophobicContact CE2-CE 3.66Å; F80-M172 HydrophobicContact CE2-SD 3.87Å; F80-M172 HydrophobicContact CZ-CE 3.92Å; F80-M172 HydrophobicContact CZ-SD 4.42Å; F80-W182 HydrophobicContact CB-CD2 4.36Å; F80-W182 HydrophobicContact CB-CH2 4.04Å; F80-W182 HydrophobicContact CB-CZ2 3.56Å; F80-W182 HydrophobicContact CD2-CD2 4.08Å; F80-W182 HydrophobicContact CD2-CE3 4.46Å; F80-W182 HydrophobicContact CD2-CG 4.22Å
81	L	77	Confident	70.8	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	105.3	-179.3	-54.8	-175.2	0	0	0	108.8	Y90 L92 L100 V293 L300 A302	L81-Y90 PolarHBondContact N-O 2.86Å; L81-Y90 WeakPolarHBondContact O-CD2 3.11Å; L81-Y90 PolarHBondContact O-N 2.78Å; L81-L92 HydrophobicContact CD1-CB 4.37Å; L81-L92 HydrophobicContact CD1-CD2 4.46Å; L81-L100 HydrophobicContact CD1-CD1 3.9Å; L81-L100 HydrophobicContact CD1-CD2 4.45Å; L81-V293 HydrophobicContact CD1-CG1 3.92Å; L81-V293 HydrophobicContact CD1-CG2 4.29Å; L81-L300 HydrophobicContact CD2-CB 3.37Å; L81-L300 HydrophobicContact CD2-CD1 4.13Å; L81-L300 HydrophobicContact CD2-CG 4.4Å; L81-A302 HydrophobicContact CB-CB 3.86Å; L81-A302 HydrophobicContact CD1-CB 4.22Å
82	P	86.3	Confident	70	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	156.6	173.5	26.5	-28.1	0	0	0	113	L69 V71 S88 L89 I107 Y301 A302	L69-P82 HydrophobicContact CD1-CB 4.31Å; L69-P82 HydrophobicContact CD1-CG 4Å; L69-P82 HydrophobicContact CD2-CB 3.81Å; L69-P82 HydrophobicContact CD2-CG 3.77Å; L69-P82 HydrophobicContact CG-CG 4.46Å; V71-P82 HydrophobicContact CG2-CG 3.63Å; P82-S88 CarbonylContact C-O 3.58Å; P82-S88 WeakPolarHBondContact CA-O 3.49Å; P82-L89 HydrophobicContact CB-CD2 3.96Å; P82-I107 HydrophobicContact CB-CD1 3.75Å; P82-I107 HydrophobicContact CG-CD1 4.39Å; P82-Y301 VanDerWaalsContact O-CA 3.31Å; P82-Y301 WeakPolarHBondContact O-CA 3.3Å; P82-Y301 WeakPolarHBondContact O-CB 3.43Å; P82-A302 PolarHBondContact O-N 2.91Å
83	D	86.9	Confident	69.4	Low	3 Å²	3	38 Å²	38	2%	0.016	22%	0.215	C	C	.	.			trans	-93.7	125.6	174	-159.7	-45	0	0	0	109.9	N85 D86 G87 S88 Y90 A302 P304	D83-N85 VanDerWaalsContact C-N 3.3Å; D83-N85 PolarHBondContact O-N 3.38Å; D83-N85 PolarHBondContact OD1-N 2.91Å; D83-N85 VanDerWaalsContact OD1-N 3.1Å; D83-N85 PolarHBondContact OD1-ND2 2.72Å; D83-D86 WeakPolarHBondContact CB-OD1 3.37Å; D83-G87 WeakPolarHBondContact O-CA 3.34Å; D83-G87 PolarHBondContact O-N 2.79Å; D83-S88 VanDerWaalsContact CB-O 3.29Å; D83-S88 WeakPolarHBondContact CB-O 3.41Å; D83-S88 PolarHBondContact N-O 3.02Å; D83-Y90 HydrophobicContact CB-CE2 4.02Å; D83-Y90 PolarHBondContact OD2-OH 2.68Å; D83-A302 WeakPolarHBondContact CA-O 3.48Å; D83-A302 WeakPolarHBondContact CB-O 3.4Å; D83-A302 VanDerWaalsContact CG-O 3.32Å; D83-P304 WeakPolarHBondContact OD2-CD 3.35Å
84	P	89.1	Confident	69.3	Low	4 Å²	4	35.3 Å²	35.3	3%	0.026	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-13.1	-177.7	31.9	-36.5	0	0	0	114	L45 V68 L69 V234 Y301	L45-P84 HydrophobicContact CD1-CB 3.74Å; L45-P84 HydrophobicContact CD1-CG 4.48Å; V68-P84 HydrophobicContact CG1-CB 4.5Å; L69-P84 HydrophobicContact CD1-CB 3.72Å; L69-P84 HydrophobicContact CD1-CG 4.42Å; L69-P84 HydrophobicContact CG-CB 4.23Å; P84-V234 HydrophobicContact CB-CB 4.24Å; P84-V234 HydrophobicContact CB-CG1 3.67Å; P84-V234 HydrophobicContact CG-CG1 4.12Å; P84-Y301 HydrophobicContact CG-CD2 4.04Å
85	N	87.6	Confident	68.9	Low	21 Å²	21	38.6 Å²	38.6	11%	0.112	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-36	-176.2	-55.4	-96.2	0	0	0	112.7	D83 V234 K246 H249 N251 S303	D83-N85 VanDerWaalsContact C-N 3.3Å; D83-N85 PolarHBondContact O-N 3.38Å; D83-N85 PolarHBondContact OD1-N 2.91Å; D83-N85 VanDerWaalsContact OD1-N 3.1Å; D83-N85 PolarHBondContact OD1-ND2 2.72Å; N85-V234 WeakPolarHBondContact CA-O 3.17Å; N85-V234 PolarHBondContact OD1-O 3.09Å; N85-K246 PolarHBondContact O-NZ 2.86Å; N85-H249 PolarHBondContact OD1-CE1 2.85Å; N85-H249 PolarHBondContact OD1-NE2 2.82Å; N85-N251 PolarHBondContact ND2-ND2 2.9Å; N85-N251 PolarHBondContact OD1-ND2 3.47Å; N85-S303 PolarHBondContact ND2-OG 3.17Å; N85-S303 VanDerWaalsContact ND2-OG 3.1Å
86	D	86.6	Confident	68.5	Low	70 Å²	70	41.8 Å²	41.8	37%	0.374	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-140.5	-5.8	-171.6	71.6	-13.3	0	0	0	114.7	D83 S88 Y186	D83-D86 WeakPolarHBondContact CB-OD1 3.37Å; D86-S88 WeakPolarHBondContact OD1-CB 3.22Å; D86-S88 PolarHBondContact OD1-N 3.27Å; D86-S88 PolarHBondContact OD1-OG 3.18Å; D86-S88 VanDerWaalsContact OD1-OG 3.08Å; D86-S88 PolarHBondContact OD2-OG 2.91Å; D86-Y186 WeakPolarHBondContact CA-OH 3.26Å
87	G	86.4	Confident	68.3	Low	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.23	C	C	.	.			trans	80.5	7.6	-175.3	0	0	0	0	0	115	D83 T106 I107	D83-G87 WeakPolarHBondContact O-CA 3.34Å; D83-G87 PolarHBondContact O-N 2.79Å; G87-T106 CarbonylContact O-C 3.57Å; G87-T106 VanDerWaalsContact O-CA 3.25Å; G87-T106 WeakPolarHBondContact O-CA 3.48Å; G87-I107 PolarHBondContact O-N 3.2Å
88	S	83.6	Confident	68.1	Low	5 Å²	5	42.8 Å²	42.8	4%	0.035	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.9	137.2	175.2	-83.5	0	0	0	0	112.4	P82 D83 D86 K102	P82-S88 CarbonylContact C-O 3.58Å; P82-S88 WeakPolarHBondContact CA-O 3.49Å; D83-S88 VanDerWaalsContact CB-O 3.29Å; D83-S88 WeakPolarHBondContact CB-O 3.41Å; D83-S88 PolarHBondContact N-O 3.02Å; D86-S88 WeakPolarHBondContact OD1-CB 3.22Å; D86-S88 PolarHBondContact OD1-N 3.27Å; D86-S88 PolarHBondContact OD1-OG 3.18Å; D86-S88 VanDerWaalsContact OD1-OG 3.08Å; D86-S88 PolarHBondContact OD2-OG 2.91Å; S88-K102 VanDerWaalsContact CB-NZ 3.32Å; S88-K102 WeakPolarHBondContact OG-CE 3.44Å; S88-K102 PolarHBondContact OG-NZ 3.08Å
89	L	75.1	Confident	68	Low	5 Å²	5	42.4 Å²	42.4	3%	0.026	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	142.3	179.1	-68.8	165.6	0	0	0	112.7	P82 L103 F105 I107 L110 W182	P82-L89 HydrophobicContact CB-CD2 3.96Å; L89-L103 HydrophobicContact CB-CB 4.08Å; L89-L103 HydrophobicContact CB-CD1 4Å; L89-L103 HydrophobicContact CB-CG 4.39Å; L89-L103 WeakPolarHBondContact O-CB 3.29Å; L89-L103 PolarHBondContact O-N 3.4Å; L89-F105 PolarHBondContact N-O 3.04Å; L89-I107 HydrophobicContact CD1-CG1 4.11Å; L89-I107 HydrophobicContact CD2-CD1 4.06Å; L89-I107 HydrophobicContact CD2-CG1 3.76Å; L89-I107 HydrophobicContact CG-CG1 4.01Å; L89-L110 HydrophobicContact CD1-CD2 3.89Å; L89-W182 HydrophobicContact CD2-CH2 3.67Å; L89-W182 HydrophobicContact CD2-CZ3 4.33Å
90	Y	70.4	Confident	67.6	Low	12 Å²	12	44.8 Å²	44.8	5%	0.047	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	151.4	167.6	-50.5	-102.8	0	0	0	109.6	F80 L81 D83 T101 K102 L291 A302	F80-Y90 WeakPolarHBondContact CA-O 3.42Å; L81-Y90 PolarHBondContact N-O 2.86Å; L81-Y90 WeakPolarHBondContact O-CD2 3.11Å; L81-Y90 PolarHBondContact O-N 2.78Å; D83-Y90 HydrophobicContact CB-CE2 4.02Å; D83-Y90 PolarHBondContact OD2-OH 2.68Å; Y90-T101 CarbonylContact C-O 3.5Å; Y90-T101 WeakPolarHBondContact CA-O 3.27Å; Y90-T101 WeakPolarHBondContact CB-O 3.38Å; Y90-K102 HydrophobicContact CD1-CB 3.52Å; Y90-K102 HydrophobicContact CD1-CD 4.31Å; Y90-K102 HydrophobicContact CD1-CG 3.76Å; Y90-K102 HydrophobicContact CE1-CB 3.63Å; Y90-K102 HydrophobicContact CE1-CD 3.62Å; Y90-K102 HydrophobicContact CE1-CG 3.61Å; Y90-K102 HydrophobicContact CG-CB 4.49Å; Y90-K102 HydrophobicContact CG-CG 4.46Å; Y90-L291 HydrophobicContact CD1-CD1 4.44Å; Y90-L291 HydrophobicContact CD1-CD2 3.64Å; Y90-L291 HydrophobicContact CE1-CD1 3.76Å; Y90-L291 HydrophobicContact CE1-CD2 3.66Å; Y90-L291 HydrophobicContact CE1-CG 4.4Å; Y90-L291 HydrophobicContact CE2-CD1 4.22Å; Y90-L291 HydrophobicContact CG-CD2 4.33Å; Y90-A302 HydrophobicContact CD2-CB 3.6Å; Y90-A302 HydrophobicContact CE2-CB 3.98Å; Y90-A302 WeakPolarHBondContact CE2-O 3.27Å; Y90-A302 HydrophobicContact CG-CB 4.08Å
91	S	66.4	Low	66.8	Low	18 Å²	18	46.1 Å²	46.1	13%	0.126	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.1	176.8	45.3	0	0	0	0	112.1	A79 L100 T101 L103	A79-S91 CarbonylContact O-C 3.58Å; A79-S91 WeakPolarHBondContact O-CA 3.42Å; S91-L100 WeakPolarHBondContact O-CA 3.43Å; S91-L100 WeakPolarHBondContact O-CD1 3.16Å; S91-T101 PolarHBondContact N-O 2.9Å; S91-T101 PolarHBondContact O-N 3.33Å; S91-T101 PolarHBondContact O-OG1 2.75Å; S91-T101 PolarHBondContact OG-OG1 2.96Å; S91-L103 WeakPolarHBondContact OG-CD2 3.49Å
92	L	60.9	Low	66.1	Low	70 Å²	70	51.5 Å²	51.5	37%	0.366	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	136.6	-179.6	-179.9	70.4	0	0	0	109.4	A79 L81 G99 L100	A79-L92 HydrophobicContact CB-CB 4.4Å; A79-L92 PolarHBondContact N-O 3.47Å; A79-L92 PolarHBondContact O-N 3.29Å; L81-L92 HydrophobicContact CD1-CB 4.37Å; L81-L92 HydrophobicContact CD1-CD2 4.46Å; L92-G99 WeakPolarHBondContact CA-O 3.39Å; L92-L100 HydrophobicContact CB-CD1 4.24Å; L92-L100 HydrophobicContact CD1-CB 4.22Å
93	G	54.1	Low	65	Low	9 Å²	9	53.9 Å²	53.9	9%	0.093	29%	0.29	C	S	.	.	S	Bend	trans	70.6	51	172.9	0	0	0	0	0	114.1	P78 G99	P78-G93 VanDerWaalsContact CA-O 3.3Å; P78-G93 WeakPolarHBondContact CA-O 3.23Å; P78-G93 WeakPolarHBondContact CB-O 3.47Å; G93-G99 PolarHBondContact N-O 2.79Å
94	G	50.1	Low	63.8	Low	27 Å²	27	58.9 Å²	58.9	28%	0.278	32%	0.323	S	S	.	.			trans	-64.1	167.1	168.4	0	0	0	0	0	112.4	N96 N97	G94-N96 PolarHBondContact O-N 2.8Å; G94-N97 PolarHBondContact O-N 3.12Å
95	K	44.3	Very low	62.9	Low	206 Å²	206	64.2 Å²	64.2	90%	0.896	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-19.9	-173.1	-70.9	-177.7	176.7	178.2	0	117.1
96	N	43	Very low	62.7	Low	120 Å²	120	64.2 Å²	64.2	64%	0.642	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.3	16.3	-177.8	-58.7	-25.9	0	0	0	112.9	G94 E98	G94-N96 PolarHBondContact O-N 2.8Å; N96-E98 VanDerWaalsContact C-N 3.28Å; N96-E98 HydrophobicContact CB-CG 3.94Å; N96-E98 WeakPolarHBondContact CB-OE1 3.45Å; N96-E98 PolarHBondContact ND2-OE1 2.81Å; N96-E98 PolarHBondContact O-N 3.4Å
97	N	44	Very low	62.6	Low	107 Å²	107	60.9 Å²	60.9	57%	0.572	33%	0.329	S	S	*	.			trans	55.6	37.7	-169.2	-66	2.1	0	0	0	113.7	G94 G99	G94-N97 PolarHBondContact O-N 3.12Å; N97-G99 PolarHBondContact O-N 2.76Å
98	E	45.8	Very low	62.7	Low	122 Å²	122	62 Å²	62	57%	0.57	34%	0.336	S	S	*	.			trans	-71.6	42.2	-176.7	-82.6	169.2	-151.9	0	0	114.9	N96 L100	N96-E98 VanDerWaalsContact C-N 3.28Å; N96-E98 HydrophobicContact CB-CG 3.94Å; N96-E98 WeakPolarHBondContact CB-OE1 3.45Å; N96-E98 PolarHBondContact ND2-OE1 2.81Å; N96-E98 PolarHBondContact O-N 3.4Å; E98-L100 PolarHBondContact O-N 2.86Å
99	G	51.6	Low	62.7	Low	42 Å²	42	66.5 Å²	66.5	43%	0.433	36%	0.356	S	S	.	.			trans	55.8	-129.2	170.4	0	0	0	0	0	113.9	L92 G93 N97	L92-G99 WeakPolarHBondContact CA-O 3.39Å; G93-G99 PolarHBondContact N-O 2.79Å; N97-G99 PolarHBondContact O-N 2.76Å
100	L	56.4	Low	62.9	Low	61 Å²	61	67.3 Å²	67.3	32%	0.319	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	119.6	-178.9	176.8	57.3	0	0	0	109.9	L81 S91 L92 E98 L291 V293	L81-L100 HydrophobicContact CD1-CD1 3.9Å; L81-L100 HydrophobicContact CD1-CD2 4.45Å; S91-L100 WeakPolarHBondContact O-CA 3.43Å; S91-L100 WeakPolarHBondContact O-CD1 3.16Å; L92-L100 HydrophobicContact CB-CD1 4.24Å; L92-L100 HydrophobicContact CD1-CB 4.22Å; E98-L100 PolarHBondContact O-N 2.86Å; L100-L291 HydrophobicContact CD2-CD2 3.61Å; L100-L291 HydrophobicContact CD2-CG 4.45Å; L100-L291 HydrophobicContact CG-CD2 4.03Å; L100-V293 HydrophobicContact CD2-CG2 3.48Å; L100-V293 VanDerWaalsContact CD2-CG2 3.48Å
101	T	58.2	Low	63.6	Low	65 Å²	65	67.2 Å²	67.2	40%	0.399	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	140.9	-174.2	47.5	0	0	0	0	111.1	Y90 S91	Y90-T101 CarbonylContact C-O 3.5Å; Y90-T101 WeakPolarHBondContact CA-O 3.27Å; Y90-T101 WeakPolarHBondContact CB-O 3.38Å; S91-T101 PolarHBondContact N-O 2.9Å; S91-T101 PolarHBondContact O-N 3.33Å; S91-T101 PolarHBondContact O-OG1 2.75Å; S91-T101 PolarHBondContact OG-OG1 2.96Å
102	K	61.4	Low	64.4	Low	114 Å²	114	74.5 Å²	74.5	50%	0.496	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	131.3	171.8	-171.2	168.6	-178.5	160.6	0	109.7	S88 Y90	S88-K102 VanDerWaalsContact CB-NZ 3.32Å; S88-K102 WeakPolarHBondContact OG-CE 3.44Å; S88-K102 PolarHBondContact OG-NZ 3.08Å; Y90-K102 HydrophobicContact CD1-CB 3.52Å; Y90-K102 HydrophobicContact CD1-CD 4.31Å; Y90-K102 HydrophobicContact CD1-CG 3.76Å; Y90-K102 HydrophobicContact CE1-CB 3.63Å; Y90-K102 HydrophobicContact CE1-CD 3.62Å; Y90-K102 HydrophobicContact CE1-CG 3.61Å; Y90-K102 HydrophobicContact CG-CB 4.49Å; Y90-K102 HydrophobicContact CG-CG 4.46Å
103	L	63.1	Low	65.2	Low	50 Å²	50	74.1 Å²	74.1	26%	0.262	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	151.6	173.2	-61.2	-176	0	0	0	110.4	F80 L89 S91 F105	F80-L103 HydrophobicContact CD1-CD1 4.02Å; F80-L103 HydrophobicContact CE1-CD1 3.99Å; L89-L103 HydrophobicContact CB-CB 4.08Å; L89-L103 HydrophobicContact CB-CD1 4Å; L89-L103 HydrophobicContact CB-CG 4.39Å; L89-L103 WeakPolarHBondContact O-CB 3.29Å; L89-L103 PolarHBondContact O-N 3.4Å; S91-L103 WeakPolarHBondContact OG-CD2 3.49Å; L103-F105 PolarHBondContact O-N 3.32Å; L103-F105 VanDerWaalsContact O-N 3.08Å
104	P	61.2	Low	66.4	Low	108 Å²	108	74.9 Å²	74.9	70%	0.701	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	13.1	-175.5	32.7	-36.7	0	0	0	114.5
105	F	70.9	Confident	68.1	Low	117 Å²	117	79.2 Å²	79.2	51%	0.513	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	146.9	-175.5	-49.6	-62.7	0	0	0	111.8	L89 L103	L89-F105 PolarHBondContact N-O 3.04Å; L103-F105 PolarHBondContact O-N 3.32Å; L103-F105 VanDerWaalsContact O-N 3.08Å
106	T	82.8	Confident	69.4	Low	21 Å²	21	71.5 Å²	71.5	13%	0.129	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	164.5	165.3	64.8	0	0	0	0	111.4	G87 E109 L110	G87-T106 CarbonylContact O-C 3.57Å; G87-T106 VanDerWaalsContact O-CA 3.25Å; G87-T106 WeakPolarHBondContact O-CA 3.48Å; T106-E109 VanDerWaalsContact CB-OE2 3.32Å; T106-E109 WeakPolarHBondContact CB-OE2 3.39Å; T106-E109 VanDerWaalsContact CG2-OE2 3.31Å; T106-E109 WeakPolarHBondContact CG2-OE2 3.36Å; T106-E109 PolarHBondContact N-OE2 3.01Å; T106-E109 PolarHBondContact O-N 3.48Å; T106-E109 WeakPolarHBondContact OG1-CB 3.35Å; T106-E109 VanDerWaalsContact OG1-CD 3.25Å; T106-E109 VanDerWaalsContact OG1-CG 3.27Å; T106-E109 WeakPolarHBondContact OG1-CG 3.34Å; T106-E109 PolarHBondContact OG1-N 2.86Å; T106-E109 PolarHBondContact OG1-OE2 3.25Å; T106-L110 WeakPolarHBondContact O-CB 3.3Å; T106-L110 PolarHBondContact O-N 3.35Å
107	I	84.9	Confident	70.9	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-58.6	-46.4	172.4	-67.3	172.2	0	0	0	112	P82 G87 L89 E109 L110 V111 I170 W182	P82-I107 HydrophobicContact CB-CD1 3.75Å; P82-I107 HydrophobicContact CG-CD1 4.39Å; G87-I107 PolarHBondContact O-N 3.2Å; L89-I107 HydrophobicContact CD1-CG1 4.11Å; L89-I107 HydrophobicContact CD2-CD1 4.06Å; L89-I107 HydrophobicContact CD2-CG1 3.76Å; L89-I107 HydrophobicContact CG-CG1 4.01Å; I107-E109 PolarHBondContact O-N 2.78Å; I107-L110 PolarHBondContact O-N 3.36Å; I107-V111 HydrophobicContact CG2-CG2 4.25Å; I107-V111 WeakPolarHBondContact O-CB 3.49Å; I107-V111 WeakPolarHBondContact O-CG2 3.4Å; I107-V111 PolarHBondContact O-N 2.86Å; I107-I170 HydrophobicContact CG1-CG2 4.45Å; I107-I170 HydrophobicContact CG2-CB 4.47Å; I107-I170 HydrophobicContact CG2-CG2 4.04Å; I107-W182 HydrophobicContact CD1-CH2 4.39Å
108	P	88.1	Confident	71.9	Confident	23 Å²	23	69.6 Å²	69.6	15%	0.149	38%	0.379	C	S	.	.	H	α-helix	trans	-55.5	-45.3	174.7	-29.3	37.1	0	0	0	114.2	V111 Q112 Y168 Y186	P108-V111 PolarHBondContact O-N 3.42Å; P108-Q112 WeakPolarHBondContact O-CB 3.39Å; P108-Q112 PolarHBondContact O-N 3.26Å; P108-Y168 HydrophobicContact CB-CD1 4Å; P108-Y168 HydrophobicContact CB-CD2 4.29Å; P108-Y168 HydrophobicContact CB-CE1 3.83Å; P108-Y168 HydrophobicContact CB-CE2 4.13Å; P108-Y168 HydrophobicContact CB-CG 4.22Å; P108-Y168 HydrophobicContact CG-CD1 4.39Å; P108-Y168 HydrophobicContact CG-CD2 3.87Å; P108-Y168 HydrophobicContact CG-CE1 4.45Å; P108-Y168 HydrophobicContact CG-CE2 3.93Å; P108-Y168 HydrophobicContact CG-CG 4.11Å; P108-Y186 HydrophobicContact CG-CD1 3.73Å; P108-Y186 HydrophobicContact CG-CE1 3.73Å
109	E	84.3	Confident	72.3	Confident	100 Å²	100	70 Å²	70	47%	0.467	40%	0.396	S	S	.	.	H	α-helix	trans	-65.7	-41.4	177.6	-69.7	162.9	138.5	0	0	111.6	T106 I107 V111 Q112 A113	T106-E109 VanDerWaalsContact CB-OE2 3.32Å; T106-E109 WeakPolarHBondContact CB-OE2 3.39Å; T106-E109 VanDerWaalsContact CG2-OE2 3.31Å; T106-E109 WeakPolarHBondContact CG2-OE2 3.36Å; T106-E109 PolarHBondContact N-OE2 3.01Å; T106-E109 PolarHBondContact O-N 3.48Å; T106-E109 WeakPolarHBondContact OG1-CB 3.35Å; T106-E109 VanDerWaalsContact OG1-CD 3.25Å; T106-E109 VanDerWaalsContact OG1-CG 3.27Å; T106-E109 WeakPolarHBondContact OG1-CG 3.34Å; T106-E109 PolarHBondContact OG1-N 2.86Å; T106-E109 PolarHBondContact OG1-OE2 3.25Å; I107-E109 PolarHBondContact O-N 2.78Å; E109-V111 VanDerWaalsContact C-N 3.34Å; E109-V111 PolarHBondContact O-N 3.05Å; E109-Q112 PolarHBondContact O-N 2.62Å; E109-A113 WeakPolarHBondContact O-CB 3.12Å; E109-A113 PolarHBondContact O-N 2.84Å
110	L	79.6	Confident	72.6	Confident	22 Å²	22	71.6 Å²	71.6	12%	0.115	39%	0.394	C	S	.	.	H	α-helix	trans	-68	-32.5	178.3	-174.2	59	0	0	0	112.4	L89 T106 I107 S114 Y124 I170	L89-L110 HydrophobicContact CD1-CD2 3.89Å; T106-L110 WeakPolarHBondContact O-CB 3.3Å; T106-L110 PolarHBondContact O-N 3.35Å; I107-L110 PolarHBondContact O-N 3.36Å; L110-S114 PolarHBondContact O-N 2.78Å; L110-Y124 HydrophobicContact CD1-CD1 3.96Å; L110-Y124 HydrophobicContact CD1-CE1 4.3Å; L110-Y124 HydrophobicContact CD1-CG 4.46Å; L110-Y124 HydrophobicContact CD2-CD1 3.96Å; L110-Y124 HydrophobicContact CD2-CE1 4.01Å; L110-Y124 HydrophobicContact CG-CD1 4.17Å; L110-I170 HydrophobicContact CD2-CG1 3.98Å; L110-I170 HydrophobicContact CG-CD1 4.04Å; L110-I170 HydrophobicContact CG-CG1 4.04Å
111	V	85.4	Confident	73	Confident	10 Å²	10	69 Å²	69	6%	0.061	38%	0.382	C	S	.	.	H	α-helix	trans	-69.9	-41.7	169.9	168.4	0	0	0	0	111.1	I107 P108 E109 A113 S114 K128 Y168 T169 I170	I107-V111 HydrophobicContact CG2-CG2 4.25Å; I107-V111 WeakPolarHBondContact O-CB 3.49Å; I107-V111 WeakPolarHBondContact O-CG2 3.4Å; I107-V111 PolarHBondContact O-N 2.86Å; P108-V111 PolarHBondContact O-N 3.42Å; E109-V111 VanDerWaalsContact C-N 3.34Å; E109-V111 PolarHBondContact O-N 3.05Å; V111-A113 VanDerWaalsContact C-N 3.32Å; V111-A113 PolarHBondContact O-N 3.3Å; V111-S114 WeakPolarHBondContact O-CB 3.48Å; V111-S114 PolarHBondContact O-N 3.43Å; V111-S114 VanDerWaalsContact O-N 3.16Å; V111-S114 PolarHBondContact O-OG 2.95Å; V111-K128 HydrophobicContact CG1-CB 4.34Å; V111-Y168 HydrophobicContact CB-CD1 4.23Å; V111-Y168 HydrophobicContact CG1-CD1 4.12Å; V111-T169 WeakPolarHBondContact CG2-O 3.36Å; V111-I170 HydrophobicContact CG2-CB 3.88Å; V111-I170 HydrophobicContact CG2-CD1 4.1Å; V111-I170 HydrophobicContact CG2-CG1 4.49Å
112	Q	81.9	Confident	73.7	Confident	171 Å²	171	66.5 Å²	66.5	80%	0.799	37%	0.366	S	S	*	.	H	α-helix	trans	-65.6	-33.2	176	-179.3	175.9	-16.9	0	0	112.8	P108 E109 S114	P108-Q112 WeakPolarHBondContact O-CB 3.39Å; P108-Q112 PolarHBondContact O-N 3.26Å; E109-Q112 PolarHBondContact O-N 2.62Å; Q112-S114 PolarHBondContact O-N 2.85Å
113	A	78.3	Confident	74.5	Confident	62 Å²	62	64.1 Å²	64.1	51%	0.512	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-5.1	175	0	0	0	0	0	113.7	E109 V111 C116	E109-A113 WeakPolarHBondContact O-CB 3.12Å; E109-A113 PolarHBondContact O-N 2.84Å; V111-A113 VanDerWaalsContact C-N 3.32Å; V111-A113 PolarHBondContact O-N 3.3Å; A113-C116 VanDerWaalsContact O-CB 3.32Å; A113-C116 WeakPolarHBondContact O-CB 3.47Å
114	S	79.9	Confident	75.3	Confident	25 Å²	25	63.6 Å²	63.6	18%	0.175	35%	0.353	C	S	.	.			trans	-90.1	154.5	-177.2	82.6	0	0	0	0	112.6	L110 V111 Q112 G126	L110-S114 PolarHBondContact O-N 2.78Å; V111-S114 WeakPolarHBondContact O-CB 3.48Å; V111-S114 PolarHBondContact O-N 3.43Å; V111-S114 VanDerWaalsContact O-N 3.16Å; V111-S114 PolarHBondContact O-OG 2.95Å; Q112-S114 PolarHBondContact O-N 2.85Å; S114-G126 WeakPolarHBondContact OG-CA 3.46Å; S114-G126 PolarHBondContact OG-N 3.05Å
115	P	84.6	Confident	76.5	Confident	118 Å²	118	63.2 Å²	63.2	77%	0.766	34%	0.343	S	S	*	.	S	Bend	cis	-75.6	129.5	-0.1	30.8	-34.6	0	0	0	112.6	Y124	P115-Y124 WeakPolarHBondContact CA-O 3.44Å
116	C	72	Confident	77.3	Confident	43 Å²	43	59 Å²	59	29%	0.291	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	172.6	-179.7	62.2	0	0	0	0	112.2	A113 Y124	A113-C116 VanDerWaalsContact O-CB 3.32Å; A113-C116 WeakPolarHBondContact O-CB 3.47Å; C116-Y124 PolarHBondContact N-O 2.96Å; C116-Y124 VanDerWaalsContact N-O 3.09Å; C116-Y124 PolarHBondContact O-N 2.87Å
117	R	74.6	Confident	77.7	Confident	156 Å²	156	62.6 Å²	62.6	59%	0.589	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.4	130.1	-175.6	-165.6	-176.7	-172.6	-168.7	1.3	111.3	I122 L123 T175	R117-I122 WeakPolarHBondContact CA-O 3.46Å; R117-I122 VanDerWaalsContact CG-O 3.31Å; R117-I122 WeakPolarHBondContact CG-O 3.35Å; R117-L123 HydrophobicContact CB-CD2 3.91Å; R117-L123 HydrophobicContact CG-CD2 3.76Å; R117-L123 HydrophobicContact CG-CG 4.41Å; R117-T175 PolarHBondContact NH2-OG1 2.82Å
118	S	65.9	Low	78.1	Confident	31 Å²	31	67.7 Å²	67.7	22%	0.217	37%	0.368	C	S	.	.			trans	-79.4	158.6	172.8	50.7	0	0	0	0	112.4	D120 G121 I122	S118-D120 VanDerWaalsContact C-N 3.25Å; S118-D120 VanDerWaalsContact CB-OD1 3.25Å; S118-D120 WeakPolarHBondContact CB-OD1 3.41Å; S118-D120 PolarHBondContact O-N 3.04Å; S118-D120 PolarHBondContact OG-OD1 2.92Å; S118-G121 PolarHBondContact O-N 3.46Å; S118-I122 PolarHBondContact N-O 3.23Å; S118-I122 WeakPolarHBondContact OG-CB 3.36Å; S118-I122 PolarHBondContact OG-N 2.78Å; S118-I122 PolarHBondContact OG-O 3.36Å
119	S	54	Low	78.1	Confident	131 Å²	131	69.7 Å²	69.7	92%	0.916	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-28.5	178.5	50.9	0	0	0	0	113.7	G121	S119-G121 PolarHBondContact O-N 2.92Å
120	D	58.2	Low	78.2	Confident	76 Å²	76	68.6 Å²	68.6	41%	0.406	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-10.1	174.1	74.4	-17.9	0	0	0	113.5	S118 I122 K176	S118-D120 VanDerWaalsContact C-N 3.25Å; S118-D120 VanDerWaalsContact CB-OD1 3.25Å; S118-D120 WeakPolarHBondContact CB-OD1 3.41Å; S118-D120 PolarHBondContact O-N 3.04Å; S118-D120 PolarHBondContact OG-OD1 2.92Å; D120-I122 PolarHBondContact OD1-N 2.94Å; D120-K176 WeakPolarHBondContact O-CE 3.33Å; D120-K176 PolarHBondContact O-NZ 3.46Å
121	G	64.4	Low	78.6	Confident	5 Å²	5	68.2 Å²	68.2	5%	0.052	37%	0.371	C	S	.	.	S	Bend	trans	103.3	8.7	172.1	0	0	0	0	0	115.7	S118 S119 T175	S118-G121 PolarHBondContact O-N 3.46Å; S119-G121 PolarHBondContact O-N 2.92Å; G121-T175 WeakPolarHBondContact O-CB 3.31Å; G121-T175 WeakPolarHBondContact O-CG2 3.47Å; G121-T175 PolarHBondContact O-N 2.86Å; G121-T175 PolarHBondContact O-OG1 3.27Å
122	I	72.7	Confident	78.6	Confident	14 Å²	14	74 Å²	74	7%	0.072	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	133.9	173.1	-54.7	175.7	0	0	0	109.9	R117 S118 D120 Y124 M172 Y173	R117-I122 WeakPolarHBondContact CA-O 3.46Å; R117-I122 VanDerWaalsContact CG-O 3.31Å; R117-I122 WeakPolarHBondContact CG-O 3.35Å; S118-I122 PolarHBondContact N-O 3.23Å; S118-I122 WeakPolarHBondContact OG-CB 3.36Å; S118-I122 PolarHBondContact OG-N 2.78Å; S118-I122 PolarHBondContact OG-O 3.36Å; D120-I122 PolarHBondContact OD1-N 2.94Å; I122-Y124 HydrophobicContact CB-CE2 4.17Å; I122-Y124 HydrophobicContact CG2-CD2 4.47Å; I122-Y124 HydrophobicContact CG2-CE2 4.09Å; I122-M172 HydrophobicContact CD1-CE 3.74Å; I122-M172 HydrophobicContact CG2-CB 3.76Å; I122-M172 HydrophobicContact CG2-CE 3.94Å; I122-M172 HydrophobicContact CG2-CG 4.23Å; I122-Y173 CarbonylContact C-O 3.55Å; I122-Y173 WeakPolarHBondContact CA-O 3.5Å
123	L	77.3	Confident	78.9	Confident	63 Å²	63	66.1 Å²	66.1	33%	0.33	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	133.5	168.9	-70.9	169.1	0	0	0	109.6	R117 M172 Y173 T175	R117-L123 HydrophobicContact CB-CD2 3.91Å; R117-L123 HydrophobicContact CG-CD2 3.76Å; R117-L123 HydrophobicContact CG-CG 4.41Å; L123-M172 CarbonylContact O-C 3.44Å; L123-M172 WeakPolarHBondContact O-CA 3.43Å; L123-Y173 HydrophobicContact CD1-CD1 4.42Å; L123-Y173 PolarHBondContact N-O 2.81Å; L123-Y173 PolarHBondContact O-N 2.88Å; L123-T175 HydrophobicContact CD1-CG2 3.42Å; L123-T175 VanDerWaalsContact CD1-CG2 3.42Å; L123-T175 HydrophobicContact CG-CG2 3.62Å
124	Y	79.9	Confident	79.2	Confident	40 Å²	40	63.5 Å²	63.5	16%	0.157	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119.1	175.2	-66.4	-102.6	0	0	0	108.4	L110 P115 C116 I122 I170 T171 M172	L110-Y124 HydrophobicContact CD1-CD1 3.96Å; L110-Y124 HydrophobicContact CD1-CE1 4.3Å; L110-Y124 HydrophobicContact CD1-CG 4.46Å; L110-Y124 HydrophobicContact CD2-CD1 3.96Å; L110-Y124 HydrophobicContact CD2-CE1 4.01Å; L110-Y124 HydrophobicContact CG-CD1 4.17Å; P115-Y124 WeakPolarHBondContact CA-O 3.44Å; C116-Y124 PolarHBondContact N-O 2.96Å; C116-Y124 VanDerWaalsContact N-O 3.09Å; C116-Y124 PolarHBondContact O-N 2.87Å; I122-Y124 HydrophobicContact CB-CE2 4.17Å; I122-Y124 HydrophobicContact CG2-CD2 4.47Å; I122-Y124 HydrophobicContact CG2-CE2 4.09Å; Y124-I170 HydrophobicContact CD1-CD1 4.46Å; Y124-I170 HydrophobicContact CD1-CG1 4.4Å; Y124-T171 WeakPolarHBondContact CA-O 3.41Å; Y124-M172 HydrophobicContact CD1-CG 3.68Å; Y124-M172 HydrophobicContact CD1-SD 4.37Å; Y124-M172 HydrophobicContact CE1-CE 3.86Å; Y124-M172 HydrophobicContact CE1-CG 3.53Å; Y124-M172 HydrophobicContact CE1-SD 3.65Å; Y124-M172 HydrophobicContact CG-CG 4.49Å; Y124-M172 WeakPolarHBondContact OH-CE 3.34Å
125	M	86.5	Confident	79.5	Confident	100 Å²	100	62.3 Å²	62.3	49%	0.493	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	116	173.1	-52.5	-180	-62	0	0	108.6	T171	M125-T171 PolarHBondContact N-O 2.84Å; M125-T171 PolarHBondContact O-N 3.16Å; M125-T171 PolarHBondContact O-OG1 3.14Å
126	G	88.9	Confident	79.4	Confident	28 Å²	28	58.2 Å²	58.2	29%	0.289	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	156.9	178.6	0	0	0	0	0	112.6	S114 T169	S114-G126 WeakPolarHBondContact OG-CA 3.46Å; S114-G126 PolarHBondContact OG-N 3.05Å; G126-T169 CarbonylContact C-O 3.57Å; G126-T169 VanDerWaalsContact CA-O 3.23Å; G126-T169 WeakPolarHBondContact CA-O 3.24Å
127	K	90.3	Very high	79.5	Confident	97 Å²	97	57.2 Å²	57.2	42%	0.422	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	123.5	173.5	-179.3	-166.9	174.8	-162.4	0	108	T169	K127-T169 PolarHBondContact N-O 2.51Å; K127-T169 PolarHBondContact O-N 3.39Å
128	K	93	Very high	79.5	Confident	106 Å²	106	57 Å²	57	46%	0.461	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	131.6	167.1	-173.9	176.8	-171.5	-74.2	0	108.7	V111 D130 T166 E167 Y168	V111-K128 HydrophobicContact CG1-CB 4.34Å; K128-D130 IonicContact NZ-OD1 2.77Å; K128-D130 PolarHBondContact NZ-OD1 3.29Å; K128-D130 IonicContact NZ-OD2 3.62Å; K128-D130 PolarHBondContact NZ-OD2 3.41Å; K128-T166 HydrophobicContact CD-CG2 4.34Å; K128-T166 HydrophobicContact CG-CG2 3.82Å; K128-E167 CarbonylContact C-O 3.58Å; K128-E167 WeakPolarHBondContact CA-O 3.23Å; K128-Y168 HydrophobicContact CD-CE1 3.91Å; K128-Y168 HydrophobicContact CG-CD1 4.21Å; K128-Y168 HydrophobicContact CG-CE1 3.95Å
129	Q	87.9	Confident	80.2	Confident	65 Å²	65	59.3 Å²	59.3	30%	0.304	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	119.5	175.8	179.9	163.8	-23.8	0	0	109.5	L131 T166 E167	Q129-L131 HydrophobicContact CG-CD2 4.15Å; Q129-L131 HydrophobicContact CG-CG 4.49Å; Q129-T166 WeakPolarHBondContact O-CA 3.22Å; Q129-E167 PolarHBondContact N-O 2.64Å; Q129-E167 PolarHBondContact O-N 3.31Å
130	D	87.8	Confident	81.5	Confident	77 Å²	77	53.3 Å²	53.3	41%	0.412	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	126.9	177.1	-62.8	-64.9	0	0	0	110.1	K128 T166	K128-D130 IonicContact NZ-OD1 2.77Å; K128-D130 PolarHBondContact NZ-OD1 3.29Å; K128-D130 IonicContact NZ-OD2 3.62Å; K128-D130 PolarHBondContact NZ-OD2 3.41Å; D130-T166 WeakPolarHBondContact OD1-CB 3.14Å; D130-T166 WeakPolarHBondContact OD1-CG2 3.35Å; D130-T166 PolarHBondContact OD1-OG1 2.69Å
131	L	86.6	Confident	82.6	Confident	15 Å²	15	55.8 Å²	55.8	8%	0.079	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	145.3	-179.9	-59.2	177.5	0	0	0	109.5	Q129 T145 T147 G164 R165 E167	Q129-L131 HydrophobicContact CG-CD2 4.15Å; Q129-L131 HydrophobicContact CG-CG 4.49Å; L131-T145 HydrophobicContact CB-CG2 4.46Å; L131-T145 HydrophobicContact CD2-CG2 4.38Å; L131-T147 HydrophobicContact CD2-CG2 3.97Å; L131-G164 CarbonylContact O-C 3.44Å; L131-G164 WeakPolarHBondContact O-CA 3.42Å; L131-R165 PolarHBondContact N-O 2.82Å; L131-R165 PolarHBondContact O-N 2.85Å; L131-E167 HydrophobicContact CD1-CG 4.06Å
132	W	86.4	Confident	83.6	Confident	132 Å²	132	59.4 Å²	59.4	50%	0.5	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	115	169.3	-74.5	87.4	0	0	0	110.4	T145 L146	W132-T145 CarbonylContact O-C 3.54Å; W132-T145 WeakPolarHBondContact O-CA 3.31Å; W132-L146 HydrophobicContact CB-CB 4.1Å; W132-L146 HydrophobicContact CB-CG 4.41Å; W132-L146 PolarHBondContact N-O 3.11Å; W132-L146 VanDerWaalsContact N-O 3.1Å; W132-L146 PolarHBondContact O-N 3Å
133	Y	86.9	Confident	83.9	Confident	5 Å²	5	63.8 Å²	63.8	2%	0.02	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	132.1	171.3	-50.7	-65.9	0	0	0	110.1	L63 E65 K142 T145 Y162 L163 R165 Y189	L63-Y133 HydrophobicContact CD2-CD2 4.39Å; E65-Y133 VanDerWaalsContact CD-CE1 3.49Å; E65-Y133 HydrophobicContact CG-CE1 4.26Å; E65-Y133 HydrophobicContact CG-CE2 3.87Å; E65-Y133 WeakPolarHBondContact CG-OH 3.41Å; E65-Y133 VanDerWaalsContact OE2-CE1 3.24Å; E65-Y133 WeakPolarHBondContact OE2-CE1 3.48Å; E65-Y133 VanDerWaalsContact OE2-CZ 3.31Å; E65-Y133 PolarHBondContact OE2-OH 3.41Å; E65-Y133 VanDerWaalsContact OE2-OH 3.08Å; Y133-K142 HydrophobicContact CD1-CD 3.58Å; Y133-K142 HydrophobicContact CE1-CD 4.17Å; Y133-K142 HydrophobicContact CG-CD 4.29Å; Y133-T145 HydrophobicContact CD1-CG2 3.8Å; Y133-T145 HydrophobicContact CE1-CG2 3.81Å; Y133-Y162 WeakPolarHBondContact O-CA 3.42Å; Y133-L163 HydrophobicContact CD2-CB 4.47Å; Y133-L163 PolarHBondContact N-O 3.48Å; Y133-L163 PolarHBondContact O-N 2.86Å; Y133-R165 HydrophobicContact CD2-CB 4.37Å; Y133-R165 HydrophobicContact CE2-CB 3.64Å; Y133-R165 HydrophobicContact CE2-CG 4.32Å; Y133-R165 WeakPolarHBondContact OH-CD 3.37Å; Y133-Y189 HydrophobicContact CD2-CE1 4.29Å; Y133-Y189 HydrophobicContact CE2-CE1 4.22Å
134	V	85.8	Confident	84	Confident	6 Å²	6	63.6 Å²	63.6	4%	0.036	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	114.1	170.6	-171.1	0	0	0	0	107	Q143 Q144 L146 L160 Y162	V134-Q143 PolarHBondContact O-N 3.07Å; V134-Q144 HydrophobicContact CB-CB 4.19Å; V134-Q144 HydrophobicContact CG2-CB 4.23Å; V134-Q144 PolarHBondContact N-O 3.29Å; V134-Q144 PolarHBondContact O-N 3.34Å; V134-L146 HydrophobicContact CG2-CD1 3.94Å; V134-L146 HydrophobicContact CG2-CD2 4.19Å; V134-L146 HydrophobicContact CG2-CG 3.91Å; V134-L160 HydrophobicContact CG1-CB 3.76Å; V134-L160 HydrophobicContact CG1-CD1 3.51Å; V134-L160 HydrophobicContact CG1-CG 4.2Å; V134-Y162 HydrophobicContact CG1-CD1 4.49Å; V134-Y162 HydrophobicContact CG1-CE1 4.04Å; V134-Y162 HydrophobicContact CG2-CD1 3.98Å; V134-Y162 HydrophobicContact CG2-CE1 3.85Å
135	V	85.8	Confident	84	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	139.1	-167.6	-176	0	0	0	0	110.1	W61 L63 G140 E141 L161 L163	W61-V135 HydrophobicContact CH2-CG1 4.38Å; L63-V135 HydrophobicContact CD1-CG2 4.37Å; L63-V135 HydrophobicContact CD2-CG2 4.22Å; V135-G140 VanDerWaalsContact CG1-C 3.48Å; V135-G140 WeakPolarHBondContact CG1-O 3.23Å; V135-E141 CarbonylContact C-O 3.51Å; V135-E141 WeakPolarHBondContact CA-O 3.25Å; V135-L161 HydrophobicContact CB-CB 4.36Å; V135-L161 PolarHBondContact N-O 3.18Å; V135-L161 WeakPolarHBondContact O-CB 3.45Å; V135-L161 PolarHBondContact O-N 3.37Å; V135-L163 HydrophobicContact CG2-CD1 4.17Å
136	D	81.5	Confident	83.6	Confident	33 Å²	33	61 Å²	61	18%	0.176	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	129.1	170.4	-175.3	-82.1	0	0	0	110.7	L138 T139 G140 E141	D136-L138 VanDerWaalsContact C-N 3.32Å; D136-L138 PolarHBondContact O-N 2.94Å; D136-L138 WeakPolarHBondContact OD1-CA 3.39Å; D136-L138 WeakPolarHBondContact OD1-CB 3.27Å; D136-L138 PolarHBondContact OD1-N 3.16Å; D136-T139 WeakPolarHBondContact CB-OG1 3.19Å; D136-T139 PolarHBondContact OD1-N 2.88Å; D136-T139 PolarHBondContact OD1-OG1 3.28Å; D136-G140 VanDerWaalsContact O-CA 3.27Å; D136-G140 WeakPolarHBondContact O-CA 3.46Å; D136-G140 PolarHBondContact O-N 3.5Å; D136-E141 PolarHBondContact N-O 2.85Å
137	L	74.4	Confident	82.7	Confident	22 Å²	22	62 Å²	62	12%	0.115	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-31.9	-176.8	172.4	60.8	0	0	0	113.5	V33 L35 L39 W61	V33-L137 HydrophobicContact CG1-CB 4.49Å; V33-L137 HydrophobicContact CG1-CD2 3.65Å; L35-L137 HydrophobicContact CD1-CD1 3.83Å; L35-L137 HydrophobicContact CD1-CD2 3.87Å; L35-L137 HydrophobicContact CD1-CG 4.46Å; L35-L137 HydrophobicContact CD2-CD1 3.54Å; L35-L137 HydrophobicContact CG-CD1 3.5Å; L35-L137 VanDerWaalsContact CG-CD1 3.5Å; L35-L137 HydrophobicContact CG-CD2 3.75Å; L35-L137 HydrophobicContact CG-CG 4.28Å; L39-L137 HydrophobicContact CD1-CD1 4.2Å; W61-L137 PolarHBondContact NE1-O 3.31Å
138	L	75.2	Confident	81.5	Confident	150 Å²	150	63.2 Å²	63.2	79%	0.785	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-38.5	-172.3	-61	177.6	0	0	0	111.5	D136	D136-L138 VanDerWaalsContact C-N 3.32Å; D136-L138 PolarHBondContact O-N 2.94Å; D136-L138 WeakPolarHBondContact OD1-CA 3.39Å; D136-L138 WeakPolarHBondContact OD1-CB 3.27Å; D136-L138 PolarHBondContact OD1-N 3.16Å
139	T	79.9	Confident	79.8	Confident	80 Å²	80	63.1 Å²	63.1	49%	0.491	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-23.9	-179.5	69	0	0	0	0	114	W61 D136 E141	W61-T139 VanDerWaalsContact CB-O 3.23Å; W61-T139 WeakPolarHBondContact CB-O 3.32Å; D136-T139 WeakPolarHBondContact CB-OG1 3.19Å; D136-T139 PolarHBondContact OD1-N 2.88Å; D136-T139 PolarHBondContact OD1-OG1 3.28Å; T139-E141 WeakPolarHBondContact OG1-CB 3.44Å; T139-E141 PolarHBondContact OG1-N 2.69Å
140	G	81	Confident	78.3	Confident	6 Å²	6	64.4 Å²	64.4	6%	0.062	34%	0.342	C	S	.	.			trans	75.7	10.6	-170.2	0	0	0	0	0	114.1	W61 V135 D136	W61-G140 VanDerWaalsContact CG-CA 3.43Å; V135-G140 VanDerWaalsContact CG1-C 3.48Å; V135-G140 WeakPolarHBondContact CG1-O 3.23Å; D136-G140 VanDerWaalsContact O-CA 3.27Å; D136-G140 WeakPolarHBondContact O-CA 3.46Å; D136-G140 PolarHBondContact O-N 3.5Å
141	E	82.6	Confident	76.7	Confident	128 Å²	128	64.4 Å²	64.4	60%	0.598	35%	0.353	S	S	*	.			trans	-76.1	125.4	-176.2	-173.6	173	-170.7	0	0	111.6	V135 D136 T139 Q143	V135-E141 CarbonylContact C-O 3.51Å; V135-E141 WeakPolarHBondContact CA-O 3.25Å; D136-E141 PolarHBondContact N-O 2.85Å; T139-E141 WeakPolarHBondContact OG1-CB 3.44Å; T139-E141 PolarHBondContact OG1-N 2.69Å; E141-Q143 PolarHBondContact O-N 3.16Å
142	K	84.9	Confident	74.9	Confident	81 Å²	81	73.1 Å²	73.1	35%	0.352	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	106	176	179.8	170.8	61.3	-174.5	0	110.2	L63 E65 Y133	L63-K142 HydrophobicContact CD1-CB 3.82Å; L63-K142 HydrophobicContact CD1-CD 4.34Å; E65-K142 WeakPolarHBondContact OE1-CD 3.47Å; E65-K142 WeakPolarHBondContact OE1-CE 3.26Å; E65-K142 IonicContact OE1-NZ 3.5Å; E65-K142 PolarHBondContact OE1-NZ 3.22Å; E65-K142 IonicContact OE2-NZ 3.58Å; E65-K142 PolarHBondContact OE2-NZ 3.39Å; Y133-K142 HydrophobicContact CD1-CD 3.58Å; Y133-K142 HydrophobicContact CE1-CD 4.17Å; Y133-K142 HydrophobicContact CG-CD 4.29Å
143	Q	79.8	Confident	73.3	Confident	105 Å²	105	73.5 Å²	73.5	49%	0.491	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-38	179.4	-60.4	-173	0.7	0	0	112.3	V134 E141 L160	V134-Q143 PolarHBondContact O-N 3.07Å; E141-Q143 PolarHBondContact O-N 3.16Å; Q143-L160 VanDerWaalsContact OE1-CD1 3.3Å
144	Q	78.4	Confident	71.6	Confident	60 Å²	60	77.2 Å²	77.2	28%	0.28	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	157.6	-179.9	-154.1	176.5	-0.9	0	0	111.7	V134 L146	V134-Q144 HydrophobicContact CB-CB 4.19Å; V134-Q144 HydrophobicContact CG2-CB 4.23Å; V134-Q144 PolarHBondContact N-O 3.29Å; V134-Q144 PolarHBondContact O-N 3.34Å; Q144-L146 HydrophobicContact CB-CD2 4.22Å; Q144-L146 VanDerWaalsContact CD-CD2 3.42Å; Q144-L146 HydrophobicContact CG-CD2 3.77Å
145	T	81.2	Confident	69.9	Low	56 Å²	56	83 Å²	83	34%	0.344	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	126.9	163.5	-51.2	0	0	0	0	108.1	L131 W132 Y133	L131-T145 HydrophobicContact CB-CG2 4.46Å; L131-T145 HydrophobicContact CD2-CG2 4.38Å; W132-T145 CarbonylContact O-C 3.54Å; W132-T145 WeakPolarHBondContact O-CA 3.31Å; Y133-T145 HydrophobicContact CD1-CG2 3.8Å; Y133-T145 HydrophobicContact CE1-CG2 3.81Å
146	L	76.3	Confident	68.4	Low	30 Å²	30	88.2 Å²	88.2	16%	0.157	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	139.2	-179.8	-39.8	-178.9	0	0	0	110.1	W132 V134 Q144 L154	W132-L146 HydrophobicContact CB-CB 4.1Å; W132-L146 HydrophobicContact CB-CG 4.41Å; W132-L146 PolarHBondContact N-O 3.11Å; W132-L146 VanDerWaalsContact N-O 3.1Å; W132-L146 PolarHBondContact O-N 3Å; V134-L146 HydrophobicContact CG2-CD1 3.94Å; V134-L146 HydrophobicContact CG2-CD2 4.19Å; V134-L146 HydrophobicContact CG2-CG 3.91Å; Q144-L146 HydrophobicContact CB-CD2 4.22Å; Q144-L146 VanDerWaalsContact CD-CD2 3.42Å; Q144-L146 HydrophobicContact CG-CD2 3.77Å; L146-L154 HydrophobicContact CD1-CD1 3.82Å; L146-L154 HydrophobicContact CD2-CD1 3.37Å; L146-L154 HydrophobicContact CG-CD1 4.24Å
147	T	71.1	Confident	67.1	Low	47 Å²	47	89.5 Å²	89.5	29%	0.288	51%	0.506	S	S	.	.			trans	-129.9	168.4	174.2	58.5	0	0	0	0	108.9	L131 S149 F150	L131-T147 HydrophobicContact CD2-CG2 3.97Å; T147-S149 PolarHBondContact O-N 3.41Å; T147-S149 VanDerWaalsContact O-N 3.1Å; T147-S149 PolarHBondContact OG1-OG 2.91Å; T147-S149 VanDerWaalsContact OG1-OG 3.13Å; T147-F150 PolarHBondContact O-N 3.17Å
148	S	64.7	Low	66.2	Low	124 Å²	124	91.3 Å²	91.3	87%	0.867	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-57.2	-25.8	179.4	51.2	0	0	0	0	114.2	F150	S148-F150 VanDerWaalsContact C-N 3.33Å
149	S	58.4	Low	65.6	Low	104 Å²	104	87.4 Å²	87.4	73%	0.727	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-82.1	-2.1	176.9	52.2	0	0	0	0	114.9	T147	T147-S149 PolarHBondContact O-N 3.41Å; T147-S149 VanDerWaalsContact O-N 3.1Å; T147-S149 PolarHBondContact OG1-OG 2.91Å; T147-S149 VanDerWaalsContact OG1-OG 3.13Å
150	F	56.2	Low	65.2	Low	92 Å²	92	84.3 Å²	84.3	40%	0.404	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-121.5	5.3	-174.8	-131.1	-91.5	0	0	0	114.4	T147 S148 E152 M153	T147-F150 PolarHBondContact O-N 3.17Å; S148-F150 VanDerWaalsContact C-N 3.33Å; F150-E152 VanDerWaalsContact C-N 3.32Å; F150-E152 PolarHBondContact O-N 3.05Å; F150-M153 HydrophobicContact CD1-CE 4.49Å; F150-M153 HydrophobicContact CE1-CE 4.09Å; F150-M153 HydrophobicContact CZ-CE 4.15Å
151	A	53.7	Low	65.2	Low	77 Å²	77	84 Å²	84	64%	0.636	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-71.7	-15.8	-169.5	0	0	0	0	0	115.5	M153	A151-M153 PolarHBondContact O-N 2.86Å
152	E	48.5	Very low	65.3	Low	198 Å²	198	81.4 Å²	81.4	93%	0.925	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-84.4	-2.5	-170	-60.2	-169	147.3	0	0	115.3	F150	F150-E152 VanDerWaalsContact C-N 3.32Å; F150-E152 PolarHBondContact O-N 3.05Å
153	M	52.9	Low	65.4	Low	139 Å²	139	77.6 Å²	77.6	69%	0.685	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-119.5	16.2	-166.8	-78	-169.5	-75.1	0	0	116.5	F150 A151	F150-M153 HydrophobicContact CD1-CE 4.49Å; F150-M153 HydrophobicContact CE1-CE 4.09Å; F150-M153 HydrophobicContact CZ-CE 4.15Å; A151-M153 PolarHBondContact O-N 2.86Å
154	L	51.7	Low	65.8	Low	83 Å²	83	72.9 Å²	72.9	44%	0.435	43%	0.432	S	S	.	.			trans	-125.8	129.8	-170.3	-68.6	173.3	0	0	0	115.9	L146	L146-L154 HydrophobicContact CD1-CD1 3.82Å; L146-L154 HydrophobicContact CD2-CD1 3.37Å; L146-L154 HydrophobicContact CG-CD1 4.24Å
155	C	49.4	Very low	66.4	Low	127 Å²	127	70.1 Å²	70.1	86%	0.858	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-96.4	118.7	159.8	-68.6	0	0	0	0	108.6	S157	C155-S157 PolarHBondContact O-N 2.76Å
156	P	54.2	Low	66.8	Low	111 Å²	111	68.2 Å²	68.2	72%	0.721	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-70.7	127.8	-177.5	27.5	-33.8	0	0	0	111.7
157	S	55.3	Low	67.6	Low	59 Å²	59	68.2 Å²	68.2	41%	0.413	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-87.2	148.7	170.3	63.5	0	0	0	0	111.7	C155 S159 L160	C155-S157 PolarHBondContact O-N 2.76Å; S157-S159 VanDerWaalsContact C-N 3.29Å; S157-S159 PolarHBondContact O-N 3.38Å; S157-L160 WeakPolarHBondContact OG-CD1 3.45Å; S157-L160 WeakPolarHBondContact OG-CG 3.41Å
158	S	55.8	Low	68.6	Low	60 Å²	60	68.1 Å²	68.1	42%	0.42	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	36.3	-172.1	71.5	0	0	0	0	114.1	S31	S31-S158 VanDerWaalsContact O-O 3.06Å
159	S	61.1	Low	69.9	Low	69 Å²	69	63.7 Å²	63.7	48%	0.483	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.6	2.9	-177.9	62.2	0	0	0	0	114	S157	S157-S159 VanDerWaalsContact C-N 3.29Å; S157-S159 PolarHBondContact O-N 3.38Å
160	L	72.7	Confident	71.4	Confident	15 Å²	15	58.8 Å²	58.8	8%	0.079	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	141.5	-171.3	-56	179.6	0	0	0	111	V134 Q143 S157 Y162	V134-L160 HydrophobicContact CG1-CB 3.76Å; V134-L160 HydrophobicContact CG1-CD1 3.51Å; V134-L160 HydrophobicContact CG1-CG 4.2Å; Q143-L160 VanDerWaalsContact OE1-CD1 3.3Å; S157-L160 WeakPolarHBondContact OG-CD1 3.45Å; S157-L160 WeakPolarHBondContact OG-CG 3.41Å; L160-Y162 HydrophobicContact CB-CE2 4.14Å; L160-Y162 VanDerWaalsContact O-CD2 3.27Å; L160-Y162 WeakPolarHBondContact O-CD2 3.16Å; L160-Y162 VanDerWaalsContact O-CE2 3.31Å; L160-Y162 WeakPolarHBondContact O-CE2 3.33Å
161	L	80.8	Confident	72.9	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	120.7	177.1	-173.8	74.5	0	0	0	108.7	L35 F41 W61 V135 L163 W239	L35-L161 HydrophobicContact CD1-CD1 3.75Å; L35-L161 HydrophobicContact CD2-CD1 4.49Å; F41-L161 HydrophobicContact CE1-CD2 4.05Å; F41-L161 HydrophobicContact CZ-CD2 4.21Å; W61-L161 HydrophobicContact CH2-CD2 3.92Å; W61-L161 HydrophobicContact CZ2-CD2 3.92Å; V135-L161 HydrophobicContact CB-CB 4.36Å; V135-L161 PolarHBondContact N-O 3.18Å; V135-L161 WeakPolarHBondContact O-CB 3.45Å; V135-L161 PolarHBondContact O-N 3.37Å; L161-L163 HydrophobicContact CD1-CD2 4.48Å; L161-L163 HydrophobicContact CD2-CD1 3.99Å; L161-L163 HydrophobicContact CD2-CD2 3.91Å; L161-L163 HydrophobicContact CD2-CG 4Å; L161-L163 HydrophobicContact CG-CD2 3.89Å; L161-L163 HydrophobicContact CG-CG 4.02Å; L161-W239 HydrophobicContact CD1-CD2 3.87Å; L161-W239 HydrophobicContact CD1-CE3 3.63Å; L161-W239 HydrophobicContact CD1-CH2 3.64Å; L161-W239 HydrophobicContact CD1-CZ2 3.84Å; L161-W239 HydrophobicContact CD1-CZ3 3.52Å; L161-W239 HydrophobicContact CG-CH2 4.44Å; L161-W239 HydrophobicContact CG-CZ3 4.29Å
162	Y	83.8	Confident	74.3	Confident	72 Å²	72	52 Å²	52	28%	0.282	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	109.7	179.2	-64.5	-96.1	0	0	0	109.4	Y133 V134 L160	Y133-Y162 WeakPolarHBondContact O-CA 3.42Å; V134-Y162 HydrophobicContact CG1-CD1 4.49Å; V134-Y162 HydrophobicContact CG1-CE1 4.04Å; V134-Y162 HydrophobicContact CG2-CD1 3.98Å; V134-Y162 HydrophobicContact CG2-CE1 3.85Å; L160-Y162 HydrophobicContact CB-CE2 4.14Å; L160-Y162 VanDerWaalsContact O-CD2 3.27Å; L160-Y162 WeakPolarHBondContact O-CD2 3.16Å; L160-Y162 VanDerWaalsContact O-CE2 3.31Å; L160-Y162 WeakPolarHBondContact O-CE2 3.33Å
163	L	88.1	Confident	75.7	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	106.5	-177	-61.9	179.5	0	0	0	110.4	L49 L63 Y133 V135 L161 W239 L244	L49-L163 HydrophobicContact CD2-CD1 3.71Å; L63-L163 HydrophobicContact CD2-CD1 4Å; Y133-L163 HydrophobicContact CD2-CB 4.47Å; Y133-L163 PolarHBondContact N-O 3.48Å; Y133-L163 PolarHBondContact O-N 2.86Å; V135-L163 HydrophobicContact CG2-CD1 4.17Å; L161-L163 HydrophobicContact CD1-CD2 4.48Å; L161-L163 HydrophobicContact CD2-CD1 3.99Å; L161-L163 HydrophobicContact CD2-CD2 3.91Å; L161-L163 HydrophobicContact CD2-CG 4Å; L161-L163 HydrophobicContact CG-CD2 3.89Å; L161-L163 HydrophobicContact CG-CG 4.02Å; L163-W239 HydrophobicContact CD2-CZ3 4.04Å; L163-L244 HydrophobicContact CD2-CD1 3.99Å; L163-L244 HydrophobicContact CD2-CD2 4.24Å; L163-L244 HydrophobicContact CD2-CG 4.04Å
164	G	88.2	Confident	76.8	Confident	6 Å²	6	40.4 Å²	40.4	6%	0.062	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	133.7	169.5	0	0	0	0	0	111.2	L131 A190	L131-G164 CarbonylContact O-C 3.44Å; L131-G164 WeakPolarHBondContact O-CA 3.42Å; G164-A190 PolarHBondContact O-N 2.93Å
165	R	89.6	Confident	77.9	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.008	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	136	169.6	-171.5	-172.6	-169.8	-154.6	19.9	108.7	D66 L131 Y133 E167 S187 D188 Y189	D66-R165 PolarHBondContact O-NH1 2.89Å; D66-R165 PolarHBondContact O-NH2 3.12Å; L131-R165 PolarHBondContact N-O 2.82Å; L131-R165 PolarHBondContact O-N 2.85Å; Y133-R165 HydrophobicContact CD2-CB 4.37Å; Y133-R165 HydrophobicContact CE2-CB 3.64Å; Y133-R165 HydrophobicContact CE2-CG 4.32Å; Y133-R165 WeakPolarHBondContact OH-CD 3.37Å; R165-E167 IonicContact CZ-OE1 3.74Å; R165-E167 IonicContact NH1-OE1 2.74Å; R165-E167 PolarHBondContact NH1-OE1 3.5Å; R165-S187 VanDerWaalsContact CZ-CB 3.48Å; R165-D188 WeakPolarHBondContact CA-O 3.29Å; R165-D188 WeakPolarHBondContact CG-O 3.34Å; R165-Y189 HydrophobicContact CB-CD1 4.08Å; R165-Y189 HydrophobicContact CB-CE1 4.12Å; R165-Y189 HydrophobicContact CG-CD1 4.37Å; R165-Y189 HydrophobicContact CG-CE1 4.34Å
166	T	90.4	Very high	78.9	Confident	16 Å²	16	39.5 Å²	39.5	10%	0.098	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	130.3	177.4	-58.3	0	0	0	0	109.8	K128 Q129 D130 Y168 S187 D188	K128-T166 HydrophobicContact CD-CG2 4.34Å; K128-T166 HydrophobicContact CG-CG2 3.82Å; Q129-T166 WeakPolarHBondContact O-CA 3.22Å; D130-T166 WeakPolarHBondContact OD1-CB 3.14Å; D130-T166 WeakPolarHBondContact OD1-CG2 3.35Å; D130-T166 PolarHBondContact OD1-OG1 2.69Å; T166-Y168 HydrophobicContact CG2-CD2 4.05Å; T166-Y168 HydrophobicContact CG2-CE1 3.99Å; T166-Y168 HydrophobicContact CG2-CE2 3.44Å; T166-Y168 VanDerWaalsContact CG2-CE2 3.44Å; T166-S187 VanDerWaalsContact O-CA 3.28Å; T166-S187 WeakPolarHBondContact O-CA 3.49Å; T166-D188 PolarHBondContact N-O 3.26Å; T166-D188 PolarHBondContact O-N 3.29Å
167	E	92.5	Very high	79.5	Confident	31 Å²	31	39.1 Å²	39.1	15%	0.145	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	130.8	178.9	-43.7	-158.3	126.3	0	0	109.7	K128 Q129 L131 R165 T185 S187	K128-E167 CarbonylContact C-O 3.58Å; K128-E167 WeakPolarHBondContact CA-O 3.23Å; Q129-E167 PolarHBondContact N-O 2.64Å; Q129-E167 PolarHBondContact O-N 3.31Å; L131-E167 HydrophobicContact CD1-CG 4.06Å; R165-E167 IonicContact CZ-OE1 3.74Å; R165-E167 IonicContact NH1-OE1 2.74Å; R165-E167 PolarHBondContact NH1-OE1 3.5Å; E167-T185 HydrophobicContact CB-CG2 4.46Å; E167-S187 WeakPolarHBondContact CB-OG 3.41Å; E167-S187 WeakPolarHBondContact CG-OG 3.23Å; E167-S187 PolarHBondContact OE1-OG 3.08Å
168	Y	93	Very high	80.3	Confident	45 Å²	45	45.7 Å²	45.7	18%	0.176	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	99.3	-177.7	-61.2	-88.4	0	0	0	108.7	P108 V111 K128 T166 T185 Y186	P108-Y168 HydrophobicContact CB-CD1 4Å; P108-Y168 HydrophobicContact CB-CD2 4.29Å; P108-Y168 HydrophobicContact CB-CE1 3.83Å; P108-Y168 HydrophobicContact CB-CE2 4.13Å; P108-Y168 HydrophobicContact CB-CG 4.22Å; P108-Y168 HydrophobicContact CG-CD1 4.39Å; P108-Y168 HydrophobicContact CG-CD2 3.87Å; P108-Y168 HydrophobicContact CG-CE1 4.45Å; P108-Y168 HydrophobicContact CG-CE2 3.93Å; P108-Y168 HydrophobicContact CG-CG 4.11Å; V111-Y168 HydrophobicContact CB-CD1 4.23Å; V111-Y168 HydrophobicContact CG1-CD1 4.12Å; K128-Y168 HydrophobicContact CD-CE1 3.91Å; K128-Y168 HydrophobicContact CG-CD1 4.21Å; K128-Y168 HydrophobicContact CG-CE1 3.95Å; T166-Y168 HydrophobicContact CG2-CD2 4.05Å; T166-Y168 HydrophobicContact CG2-CE1 3.99Å; T166-Y168 HydrophobicContact CG2-CE2 3.44Å; T166-Y168 VanDerWaalsContact CG2-CE2 3.44Å; Y168-T185 WeakPolarHBondContact O-CA 3.48Å; Y168-Y186 HydrophobicContact CD2-CD1 4.14Å; Y168-Y186 PolarHBondContact N-O 3.44Å; Y168-Y186 PolarHBondContact O-N 3Å
169	T	91.7	Very high	81	Confident	31 Å²	31	48.3 Å²	48.3	19%	0.19	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	130	173.4	-55.4	0	0	0	0	109.7	V111 G126 K127 T171 N183 A184 T185	V111-T169 WeakPolarHBondContact CG2-O 3.36Å; G126-T169 CarbonylContact C-O 3.57Å; G126-T169 VanDerWaalsContact CA-O 3.23Å; G126-T169 WeakPolarHBondContact CA-O 3.24Å; K127-T169 PolarHBondContact N-O 2.51Å; K127-T169 PolarHBondContact O-N 3.39Å; T169-T171 HydrophobicContact CG2-CG2 4.33Å; T169-N183 WeakPolarHBondContact CG2-OD1 3.5Å; T169-A184 CarbonylContact C-O 3.57Å; T169-A184 WeakPolarHBondContact CA-O 3.44Å; T169-T185 PolarHBondContact OG1-OG1 3.18Å
170	I	89.2	Confident	81.4	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	131.5	174.3	-169.9	63.6	0	0	0	110.4	I107 L110 V111 Y124 W182 N183 A184	I107-I170 HydrophobicContact CG1-CG2 4.45Å; I107-I170 HydrophobicContact CG2-CB 4.47Å; I107-I170 HydrophobicContact CG2-CG2 4.04Å; L110-I170 HydrophobicContact CD2-CG1 3.98Å; L110-I170 HydrophobicContact CG-CD1 4.04Å; L110-I170 HydrophobicContact CG-CG1 4.04Å; V111-I170 HydrophobicContact CG2-CB 3.88Å; V111-I170 HydrophobicContact CG2-CD1 4.1Å; V111-I170 HydrophobicContact CG2-CG1 4.49Å; Y124-I170 HydrophobicContact CD1-CD1 4.46Å; Y124-I170 HydrophobicContact CD1-CG1 4.4Å; I170-W182 HydrophobicContact CG2-CE3 4.23Å; I170-W182 HydrophobicContact CG2-CZ3 3.7Å; I170-N183 WeakPolarHBondContact O-CA 3.26Å; I170-A184 HydrophobicContact CG2-CB 4.22Å; I170-A184 PolarHBondContact N-O 2.99Å; I170-A184 PolarHBondContact O-N 3.42Å
171	T	88.1	Confident	81.3	Confident	25 Å²	25	50.8 Å²	50.8	15%	0.153	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	133.9	-179.8	61.8	0	0	0	0	110.8	Y124 M125 T169 N183	Y124-T171 WeakPolarHBondContact CA-O 3.41Å; M125-T171 PolarHBondContact N-O 2.84Å; M125-T171 PolarHBondContact O-N 3.16Å; M125-T171 PolarHBondContact O-OG1 3.14Å; T169-T171 HydrophobicContact CG2-CG2 4.33Å; T171-N183 HydrophobicContact CG2-CB 4.28Å; T171-N183 WeakPolarHBondContact CG2-OD1 3.29Å
172	M	82.6	Confident	81.1	Confident	3 Å²	3	51.1 Å²	51.1	2%	0.015	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	114.5	-177.5	-72.7	178.2	63.1	0	0	110.6	F80 I122 L123 Y124 L180 R181 W182	F80-M172 HydrophobicContact CD2-SD 4.28Å; F80-M172 HydrophobicContact CE2-CE 3.66Å; F80-M172 HydrophobicContact CE2-SD 3.87Å; F80-M172 HydrophobicContact CZ-CE 3.92Å; F80-M172 HydrophobicContact CZ-SD 4.42Å; I122-M172 HydrophobicContact CD1-CE 3.74Å; I122-M172 HydrophobicContact CG2-CB 3.76Å; I122-M172 HydrophobicContact CG2-CE 3.94Å; I122-M172 HydrophobicContact CG2-CG 4.23Å; L123-M172 CarbonylContact O-C 3.44Å; L123-M172 WeakPolarHBondContact O-CA 3.43Å; Y124-M172 HydrophobicContact CD1-CG 3.68Å; Y124-M172 HydrophobicContact CD1-SD 4.37Å; Y124-M172 HydrophobicContact CE1-CE 3.86Å; Y124-M172 HydrophobicContact CE1-CG 3.53Å; Y124-M172 HydrophobicContact CE1-SD 3.65Å; Y124-M172 HydrophobicContact CG-CG 4.49Å; Y124-M172 WeakPolarHBondContact OH-CE 3.34Å; M172-L180 CarbonylContact O-C 3.59Å; M172-L180 WeakPolarHBondContact O-CA 3.39Å; M172-L180 VanDerWaalsContact O-CD1 3.22Å; M172-L180 WeakPolarHBondContact O-CD1 3.12Å; M172-L180 WeakPolarHBondContact O-CG 3.37Å; M172-R181 HydrophobicContact CB-CB 4.41Å; M172-R181 PolarHBondContact O-N 3.2Å; M172-W182 HydrophobicContact CB-CB 3.92Å; M172-W182 HydrophobicContact CG-CB 4.2Å; M172-W182 HydrophobicContact CG-CE3 4.33Å; M172-W182 PolarHBondContact N-O 3.23Å; M172-W182 PolarHBondContact O-N 3.25Å; M172-W182 HydrophobicContact SD-CB 3.88Å; M172-W182 HydrophobicContact SD-CD2 4.26Å; M172-W182 HydrophobicContact SD-CE3 3.67Å; M172-W182 HydrophobicContact SD-CG 4.41Å
173	Y	78.3	Confident	81.1	Confident	78 Å²	78	48.4 Å²	48.4	31%	0.306	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	115	-178.5	-173.6	-100	0	0	0	112	I122 L123 T175 R178 L180	I122-Y173 CarbonylContact C-O 3.55Å; I122-Y173 WeakPolarHBondContact CA-O 3.5Å; L123-Y173 HydrophobicContact CD1-CD1 4.42Å; L123-Y173 PolarHBondContact N-O 2.81Å; L123-Y173 PolarHBondContact O-N 2.88Å; Y173-T175 HydrophobicContact CD1-CG2 4.36Å; Y173-T175 PolarHBondContact O-N 2.85Å; Y173-R178 WeakPolarHBondContact CE2-O 3.47Å; Y173-R178 VanDerWaalsContact CZ-C 3.5Å; Y173-R178 VanDerWaalsContact OH-CA 3.26Å; Y173-R178 WeakPolarHBondContact OH-CA 3.37Å; Y173-R178 WeakPolarHBondContact OH-CB 3.43Å; Y173-R178 PolarHBondContact OH-O 3.17Å; Y173-L180 HydrophobicContact CD2-CB 4.34Å; Y173-L180 HydrophobicContact CD2-CD1 4.11Å
174	D	76.5	Confident	81	Confident	14 Å²	14	48.3 Å²	48.3	8%	0.075	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	113	178.2	179	-12.8	0	0	0	110.6	K176 N177 R178 E179 R181	D174-K176 VanDerWaalsContact C-N 3.3Å; D174-K176 PolarHBondContact O-N 2.95Å; D174-K176 WeakPolarHBondContact OD1-CA 3.43Å; D174-K176 VanDerWaalsContact OD1-CB 3.3Å; D174-K176 WeakPolarHBondContact OD1-CB 3.37Å; D174-K176 PolarHBondContact OD1-N 2.82Å; D174-N177 PolarHBondContact OD1-N 3.45Å; D174-N177 PolarHBondContact OD2-ND2 2.77Å; D174-R178 WeakPolarHBondContact O-CA 3.42Å; D174-R178 PolarHBondContact O-N 3.05Å; D174-E179 PolarHBondContact N-O 3.05Å; D174-E179 PolarHBondContact O-N 2.72Å; D174-R181 HydrophobicContact CB-CG 3.7Å
175	T	74.8	Confident	81.1	Confident	43 Å²	43	48.9 Å²	48.9	26%	0.264	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-15.1	-179	59.4	0	0	0	0	114.8	R117 G121 L123 Y173	R117-T175 PolarHBondContact NH2-OG1 2.82Å; G121-T175 WeakPolarHBondContact O-CB 3.31Å; G121-T175 WeakPolarHBondContact O-CG2 3.47Å; G121-T175 PolarHBondContact O-N 2.86Å; G121-T175 PolarHBondContact O-OG1 3.27Å; L123-T175 HydrophobicContact CD1-CG2 3.42Å; L123-T175 VanDerWaalsContact CD1-CG2 3.42Å; L123-T175 HydrophobicContact CG-CG2 3.62Å; Y173-T175 HydrophobicContact CD1-CG2 4.36Å; Y173-T175 PolarHBondContact O-N 2.85Å
176	K	71.4	Confident	81.3	Confident	149 Å²	149	49 Å²	49	65%	0.648	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-53.1	176.6	-64.2	167.3	172.2	167.1	0	110.2	D120 D174	D120-K176 WeakPolarHBondContact O-CE 3.33Å; D120-K176 PolarHBondContact O-NZ 3.46Å; D174-K176 VanDerWaalsContact C-N 3.3Å; D174-K176 PolarHBondContact O-N 2.95Å; D174-K176 WeakPolarHBondContact OD1-CA 3.43Å; D174-K176 VanDerWaalsContact OD1-CB 3.3Å; D174-K176 WeakPolarHBondContact OD1-CB 3.37Å; D174-K176 PolarHBondContact OD1-N 2.82Å
177	N	64.8	Low	81.3	Confident	103 Å²	103	48.3 Å²	48.3	55%	0.551	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-18.7	-179.3	-66.5	-49.8	0	0	0	113.2	D174 E179	D174-N177 PolarHBondContact OD1-N 3.45Å; D174-N177 PolarHBondContact OD2-ND2 2.77Å; N177-E179 VanDerWaalsContact C-N 3.34Å; N177-E179 HydrophobicContact CB-CG 4.49Å
178	R	73.1	Confident	81.2	Confident	197 Å²	197	48.5 Å²	48.5	74%	0.743	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.8	28.6	-175.9	-56.4	-173.3	177.5	-156.1	0.2	114.5	Y173 D174	Y173-R178 WeakPolarHBondContact CE2-O 3.47Å; Y173-R178 VanDerWaalsContact CZ-C 3.5Å; Y173-R178 VanDerWaalsContact OH-CA 3.26Å; Y173-R178 WeakPolarHBondContact OH-CA 3.37Å; Y173-R178 WeakPolarHBondContact OH-CB 3.43Å; Y173-R178 PolarHBondContact OH-O 3.17Å; D174-R178 WeakPolarHBondContact O-CA 3.42Å; D174-R178 PolarHBondContact O-N 3.05Å
179	E	71.3	Confident	81.1	Confident	115 Å²	115	46.6 Å²	46.6	54%	0.537	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	146.4	-175.7	-65.9	179.8	159.7	0	0	111.1	D174 N177 R181	D174-E179 PolarHBondContact N-O 3.05Å; D174-E179 PolarHBondContact O-N 2.72Å; N177-E179 VanDerWaalsContact C-N 3.34Å; N177-E179 HydrophobicContact CB-CG 4.49Å; E179-R181 PolarHBondContact O-N 3.49Å
180	L	68.9	Low	80.9	Confident	43 Å²	43	47.5 Å²	47.5	23%	0.225	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	113.5	168.6	-163.3	81.9	0	0	0	108.4	M172 Y173 N183 V395	M172-L180 CarbonylContact O-C 3.59Å; M172-L180 WeakPolarHBondContact O-CA 3.39Å; M172-L180 VanDerWaalsContact O-CD1 3.22Å; M172-L180 WeakPolarHBondContact O-CD1 3.12Å; M172-L180 WeakPolarHBondContact O-CG 3.37Å; Y173-L180 HydrophobicContact CD2-CB 4.34Å; Y173-L180 HydrophobicContact CD2-CD1 4.11Å; L180-N183 HydrophobicContact CD2-CB 3.94Å; L180-V395 HydrophobicContact CB-CG1 4.36Å; L180-V395 HydrophobicContact CB-CG2 3.84Å; L180-V395 HydrophobicContact CD2-CG1 3.59Å; L180-V395 HydrophobicContact CD2-CG2 4.4Å
181	R	69.6	Low	80.6	Confident	93 Å²	93	49.9 Å²	49.9	35%	0.351	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-31.9	-178.3	-72	-72.1	-60.9	-176.8	2.9	112.8	A76 E77 M172 D174 E179	A76-R181 PolarHBondContact O-NH2 3.46Å; E77-R181 PolarHBondContact O-NH2 3.27Å; M172-R181 HydrophobicContact CB-CB 4.41Å; M172-R181 PolarHBondContact O-N 3.2Å; D174-R181 HydrophobicContact CB-CG 3.7Å; E179-R181 PolarHBondContact O-N 3.49Å
182	W	76.4	Confident	79.9	Confident	6 Å²	6	52 Å²	52	2%	0.023	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	146.8	-173.4	-157.2	58.6	0	0	0	111.2	V71 F80 L89 I107 I170 M172 A184	V71-W182 HydrophobicContact CG1-CZ2 3.84Å; F80-W182 HydrophobicContact CB-CD2 4.36Å; F80-W182 HydrophobicContact CB-CH2 4.04Å; F80-W182 HydrophobicContact CB-CZ2 3.56Å; F80-W182 HydrophobicContact CD2-CD2 4.08Å; F80-W182 HydrophobicContact CD2-CE3 4.46Å; F80-W182 HydrophobicContact CD2-CG 4.22Å; L89-W182 HydrophobicContact CD2-CH2 3.67Å; L89-W182 HydrophobicContact CD2-CZ3 4.33Å; I107-W182 HydrophobicContact CD1-CH2 4.39Å; I170-W182 HydrophobicContact CG2-CE3 4.23Å; I170-W182 HydrophobicContact CG2-CZ3 3.7Å; M172-W182 HydrophobicContact CB-CB 3.92Å; M172-W182 HydrophobicContact CG-CB 4.2Å; M172-W182 HydrophobicContact CG-CE3 4.33Å; M172-W182 PolarHBondContact N-O 3.23Å; M172-W182 PolarHBondContact O-N 3.25Å; M172-W182 HydrophobicContact SD-CB 3.88Å; M172-W182 HydrophobicContact SD-CD2 4.26Å; M172-W182 HydrophobicContact SD-CE3 3.67Å; M172-W182 HydrophobicContact SD-CG 4.41Å; W182-A184 HydrophobicContact CD2-CB 4.11Å; W182-A184 HydrophobicContact CE3-CB 4.05Å; W182-A184 HydrophobicContact CH2-CB 3.46Å; W182-A184 VanDerWaalsContact CH2-CB 3.46Å; W182-A184 HydrophobicContact CZ2-CB 3.52Å; W182-A184 HydrophobicContact CZ3-CB 3.75Å
183	N	85	Confident	78.8	Confident	15 Å²	15	56.1 Å²	56.1	8%	0.08	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	115.6	171.2	-177.8	-1.7	0	0	0	106.9	P72 T169 I170 T171 L180 I396	P72-N183 VanDerWaalsContact CD-O 3.23Å; P72-N183 WeakPolarHBondContact CD-O 3.43Å; P72-N183 WeakPolarHBondContact CG-O 3.47Å; T169-N183 WeakPolarHBondContact CG2-OD1 3.5Å; I170-N183 WeakPolarHBondContact O-CA 3.26Å; T171-N183 HydrophobicContact CG2-CB 4.28Å; T171-N183 WeakPolarHBondContact CG2-OD1 3.29Å; L180-N183 HydrophobicContact CD2-CB 3.94Å; N183-I396 HydrophobicContact CB-CB 4.27Å; N183-I396 PolarHBondContact ND2-O 2.89Å
184	A	86.2	Confident	77.7	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	140.6	-177.6	0	0	0	0	0	111.8	Q70 V71 T169 I170 W182	Q70-A184 CarbonylContact O-C 3.49Å; Q70-A184 WeakPolarHBondContact O-CA 3.29Å; V71-A184 HydrophobicContact CG2-CB 4.35Å; T169-A184 CarbonylContact C-O 3.57Å; T169-A184 WeakPolarHBondContact CA-O 3.44Å; I170-A184 HydrophobicContact CG2-CB 4.22Å; I170-A184 PolarHBondContact N-O 2.99Å; I170-A184 PolarHBondContact O-N 3.42Å; W182-A184 HydrophobicContact CD2-CB 4.11Å; W182-A184 HydrophobicContact CE3-CB 4.05Å; W182-A184 HydrophobicContact CH2-CB 3.46Å; W182-A184 VanDerWaalsContact CH2-CB 3.46Å; W182-A184 HydrophobicContact CZ2-CB 3.52Å; W182-A184 HydrophobicContact CZ3-CB 3.75Å
185	T	90	Very high	76.8	Confident	17 Å²	17	56.9 Å²	56.9	10%	0.104	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133.4	172.6	-59.1	0	0	0	0	109.9	L69 Q70 E167 Y168 T169	L69-T185 WeakPolarHBondContact CA-O 3.15Å; Q70-T185 PolarHBondContact N-O 3.4Å; Q70-T185 PolarHBondContact O-N 2.95Å; E167-T185 HydrophobicContact CB-CG2 4.46Å; Y168-T185 WeakPolarHBondContact O-CA 3.48Å; T169-T185 PolarHBondContact OG1-OG1 3.18Å
186	Y	92.6	Very high	75.9	Confident	4 Å²	4	62.1 Å²	62.1	2%	0.016	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	135.7	169.8	168	-107.4	0	0	0	109.8	V68 L69 D86 P108 Y168 D188	V68-Y186 HydrophobicContact CG1-CD2 4.26Å; V68-Y186 HydrophobicContact CG1-CE2 4.08Å; V68-Y186 WeakPolarHBondContact O-CA 3.26Å; L69-Y186 HydrophobicContact CD2-CD2 3.75Å; L69-Y186 HydrophobicContact CD2-CG 4.38Å; D86-Y186 WeakPolarHBondContact CA-OH 3.26Å; P108-Y186 HydrophobicContact CG-CD1 3.73Å; P108-Y186 HydrophobicContact CG-CE1 3.73Å; Y168-Y186 HydrophobicContact CD2-CD1 4.14Å; Y168-Y186 PolarHBondContact N-O 3.44Å; Y168-Y186 PolarHBondContact O-N 3Å; Y186-D188 HydrophobicContact CE1-CB 4.15Å
187	S	91.9	Very high	75	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.014	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	124	-177.1	-56.8	0	0	0	0	112.9	V68 R165 T166 E167	V68-S187 PolarHBondContact O-N 3.49Å; R165-S187 VanDerWaalsContact CZ-CB 3.48Å; T166-S187 VanDerWaalsContact O-CA 3.28Å; T166-S187 WeakPolarHBondContact O-CA 3.49Å; E167-S187 WeakPolarHBondContact CB-OG 3.41Å; E167-S187 WeakPolarHBondContact CG-OG 3.23Å; E167-S187 PolarHBondContact OE1-OG 3.08Å
188	D	90.5	Very high	74.6	Confident	36 Å²	36	62.9 Å²	62.9	19%	0.193	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	157.9	179	-159.4	7.6	0	0	0	111.7	R165 T166 Y186 Y237 K246	R165-D188 WeakPolarHBondContact CA-O 3.29Å; R165-D188 WeakPolarHBondContact CG-O 3.34Å; T166-D188 PolarHBondContact N-O 3.26Å; T166-D188 PolarHBondContact O-N 3.29Å; Y186-D188 HydrophobicContact CE1-CB 4.15Å; D188-Y237 PolarHBondContact OD1-OH 3.02Å; D188-K246 IonicContact OD1-NZ 2.77Å; D188-K246 PolarHBondContact OD1-NZ 2.87Å; D188-K246 IonicContact OD2-NZ 3.73Å; D188-K246 PolarHBondContact OD2-NZ 2.91Å
189	Y	91.1	Very high	74.1	Confident	5 Å²	5	62.1 Å²	62.1	2%	0.02	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	131.3	176.6	-78.1	-85.6	0	0	0	111.1	L49 Y133 R165 S191 L244	L49-Y189 HydrophobicContact CB-CE2 4.21Å; L49-Y189 HydrophobicContact CD1-CD2 4.3Å; L49-Y189 HydrophobicContact CD1-CE2 4.13Å; L49-Y189 HydrophobicContact CD2-CD1 4.42Å; L49-Y189 HydrophobicContact CD2-CE1 4Å; L49-Y189 HydrophobicContact CD2-CE2 4.38Å; L49-Y189 HydrophobicContact CG-CE2 4.49Å; Y133-Y189 HydrophobicContact CD2-CE1 4.29Å; Y133-Y189 HydrophobicContact CE2-CE1 4.22Å; R165-Y189 HydrophobicContact CB-CD1 4.08Å; R165-Y189 HydrophobicContact CB-CE1 4.12Å; R165-Y189 HydrophobicContact CG-CD1 4.37Å; R165-Y189 HydrophobicContact CG-CE1 4.34Å; Y189-S191 PolarHBondContact O-N 2.9Å; Y189-L244 HydrophobicContact CD1-CD1 4.46Å; Y189-L244 HydrophobicContact CG-CD1 4.48Å
190	A	86.4	Confident	74.5	Confident	49 Å²	49	59.5 Å²	59.5	41%	0.405	31%	0.311	S	S	.	.			trans	-62.9	123.7	179.8	0	0	0	0	0	110.1	G164	G164-A190 PolarHBondContact O-N 2.93Å
191	S	83.9	Confident	75.2	Confident	50 Å²	50	62 Å²	62	35%	0.35	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-138.3	149.8	-176.5	55.9	0	0	0	0	112.1	Y189 L244	Y189-S191 PolarHBondContact O-N 2.9Å; S191-L244 CarbonylContact C-O 3.58Å; S191-L244 WeakPolarHBondContact CA-O 3.39Å
192	T	73.4	Confident	75.9	Confident	69 Å²	69	58.7 Å²	58.7	42%	0.423	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-91.1	153.2	-176.1	58.5	0	0	0	0	111.8	L244 R245	T192-L244 PolarHBondContact N-O 2.83Å; T192-L244 PolarHBondContact OG1-O 2.87Å; T192-L244 VanDerWaalsContact OG1-O 3.1Å; T192-R245 WeakPolarHBondContact OG1-CG 3.42Å; T192-R245 PolarHBondContact OG1-NE 3.36Å; T192-R245 VanDerWaalsContact OG1-NE 3.16Å
193	L	57.6	Low	76.4	Confident	91 Å²	91	59.7 Å²	59.7	48%	0.476	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-67.6	146.9	176.5	-65.8	159.9	0	0	0	110.6	R245 F480	L193-R245 PolarHBondContact O-NH2 3.04Å; L193-F480 HydrophobicContact CD1-CD2 3.73Å; L193-F480 HydrophobicContact CD1-CE2 4.09Å; L193-F480 HydrophobicContact CD2-CE2 4.34Å
194	P	57	Low	76.7	Confident	62 Å²	62	59.1 Å²	59.1	40%	0.403	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-72.5	146	-180	29.9	-34.5	0	0	0	112
195	D	57.3	Low	76.9	Confident	46 Å²	46	60.3 Å²	60.3	25%	0.246	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-82.6	144.4	160.3	-57.5	-97.5	0	0	0	109.6	D197 R241 R245	D195-D197 PolarHBondContact O-N 3.46Å; D195-R241 VanDerWaalsContact CG-CZ 3.46Å; D195-R241 VanDerWaalsContact CG-NH1 3.25Å; D195-R241 IonicContact OD1-CZ 3.6Å; D195-R241 IonicContact OD1-NH1 2.69Å; D195-R241 PolarHBondContact OD1-NH1 2.92Å; D195-R241 IonicContact OD1-NH2 2.71Å; D195-R241 PolarHBondContact OD1-NH2 2.88Å; D195-R241 IonicContact OD2-CZ 3.32Å; D195-R241 IonicContact OD2-NE 3.82Å; D195-R241 IonicContact OD2-NH1 3.35Å; D195-R241 PolarHBondContact OD2-NH1 3.34Å; D195-R241 VanDerWaalsContact OD2-NH1 3.08Å; D195-R241 IonicContact OD2-NH2 1.86Å; D195-R241 PolarHBondContact OD2-NH2 3.19Å; D195-R245 IonicContact OD2-CZ 3.97Å; D195-R245 IonicContact OD2-NH1 3.2Å; D195-R245 PolarHBondContact OD2-NH1 2.71Å; D195-R245 IonicContact OD2-NH2 3.94Å; D195-R245 PolarHBondContact OD2-NH2 2.89Å
196	D	54.4	Low	76.9	Confident	152 Å²	152	59.5 Å²	59.5	81%	0.813	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-17.6	177.9	-64.1	-60.1	0	0	0	114.1	M198	D196-M198 VanDerWaalsContact C-N 3.26Å; D196-M198 PolarHBondContact O-N 2.72Å
197	D	52.8	Low	76.6	Confident	137 Å²	137	59.3 Å²	59.3	73%	0.733	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-14.3	-173.7	-75.2	-39.7	0	0	0	115.1	D195	D195-D197 PolarHBondContact O-N 3.46Å
198	M	57.2	Low	76.2	Confident	131 Å²	131	59.4 Å²	59.4	65%	0.645	32%	0.316	S	S	*	.			trans	-118.2	107.7	-169.2	-77.9	-74.1	102.2	0	0	114.3	D196 Y200	D196-M198 VanDerWaalsContact C-N 3.26Å; D196-M198 PolarHBondContact O-N 2.72Å; M198-Y200 PolarHBondContact O-N 2.84Å; M198-Y200 VanDerWaalsContact O-N 3.14Å
199	K	62.4	Low	75.5	Confident	181 Å²	181	58.8 Å²	58.8	79%	0.787	32%	0.318	S	S	*	.			trans	-72.7	101.4	173.2	-65.5	-175.8	179.9	-178.4	0	111.6	K201	K199-K201 PolarHBondContact O-N 3.4Å
200	Y	80.8	Confident	75	Confident	60 Å²	60	60 Å²	60	24%	0.235	32%	0.324	C	S	.	.			trans	-73.4	109.6	171.4	-167.6	-94.9	0	0	0	110.6	L40 M198 M202 H204 I238 V247	L40-Y200 WeakPolarHBondContact CD1-OH 3.27Å; M198-Y200 PolarHBondContact O-N 2.84Å; M198-Y200 VanDerWaalsContact O-N 3.14Å; Y200-M202 HydrophobicContact CD1-CB 4.31Å; Y200-M202 VanDerWaalsContact CD1-O 3.32Å; Y200-M202 WeakPolarHBondContact CD1-O 3.34Å; Y200-M202 HydrophobicContact CE1-CB 3.64Å; Y200-M202 HydrophobicContact CE1-CG 4.34Å; Y200-M202 VanDerWaalsContact CE1-O 3.31Å; Y200-M202 WeakPolarHBondContact CE1-O 3.34Å; Y200-M202 PolarHBondContact O-N 3.4Å; Y200-H204 AromaticContact CE1-NE2 3.68Å; Y200-H204 AromaticContact CZ-NE2 3.83Å; Y200-H204 PolarHBondContact OH-NE2 3.43Å; Y200-H204 VanDerWaalsContact OH-NE2 3.11Å; Y200-I238 HydrophobicContact CD2-CD1 4.24Å; Y200-I238 HydrophobicContact CE2-CD1 4.27Å; Y200-I238 HydrophobicContact CE2-CG2 3.9Å; Y200-V247 HydrophobicContact CD1-CG1 4.02Å; Y200-V247 HydrophobicContact CE1-CG1 3.45Å; Y200-V247 VanDerWaalsContact CE1-CG1 3.45Å; Y200-V247 HydrophobicContact CE2-CG1 4.37Å; Y200-V247 HydrophobicContact CE2-CG2 4.3Å
201	K	82.2	Confident	75	Confident	95 Å²	95	57.6 Å²	57.6	41%	0.413	31%	0.305	S	S	.	.			trans	-88.2	20.6	-170.6	-64.1	-156.4	178.2	-153.3	0	116.2	K199 D217 S218 E219	K199-K201 PolarHBondContact O-N 3.4Å; K201-D217 WeakPolarHBondContact O-CA 3.46Å; K201-S218 VanDerWaalsContact CA-OG 3.29Å; K201-S218 WeakPolarHBondContact CA-OG 3.38Å; K201-S218 PolarHBondContact O-N 3.09Å; K201-S218 PolarHBondContact O-OG 3.15Å; K201-E219 WeakPolarHBondContact CE-OE1 3.42Å; K201-E219 IonicContact NZ-OE1 3.31Å; K201-E219 PolarHBondContact NZ-OE1 3.31Å; K201-E219 IonicContact NZ-OE2 2.74Å; K201-E219 PolarHBondContact NZ-OE2 2.8Å
202	M	85.4	Confident	75.3	Confident	24 Å²	24	56.3 Å²	56.3	12%	0.118	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	142.4	-176.2	-48.2	178.3	85.1	0	0	110.5	K54 Y200 T215 V216 Q224	K54-M202 HydrophobicContact CD-SD 4.22Å; K54-M202 HydrophobicContact CG-CE 4.27Å; K54-M202 HydrophobicContact CG-SD 3.54Å; K54-M202 VanDerWaalsContact CG-SD 3.54Å; K54-M202 VanDerWaalsContact O-CE 3.24Å; K54-M202 WeakPolarHBondContact O-CE 3.42Å; Y200-M202 HydrophobicContact CD1-CB 4.31Å; Y200-M202 VanDerWaalsContact CD1-O 3.32Å; Y200-M202 WeakPolarHBondContact CD1-O 3.34Å; Y200-M202 HydrophobicContact CE1-CB 3.64Å; Y200-M202 HydrophobicContact CE1-CG 4.34Å; Y200-M202 VanDerWaalsContact CE1-O 3.31Å; Y200-M202 WeakPolarHBondContact CE1-O 3.34Å; Y200-M202 PolarHBondContact O-N 3.4Å; M202-T215 HydrophobicContact CB-CG2 4.1Å; M202-T215 HydrophobicContact CE-CG2 3.53Å; M202-V216 WeakPolarHBondContact CA-O 3.41Å; M202-Q224 HydrophobicContact CE-CB 4.09Å; M202-Q224 HydrophobicContact CE-CG 4.03Å
203	A	86.9	Confident	76.2	Confident	28 Å²	28	53 Å²	53	23%	0.231	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133.4	172.3	0	0	0	0	0	109.6	T215 V216	A203-T215 WeakPolarHBondContact O-CA 3.36Å; A203-V216 HydrophobicContact CB-CG2 3.94Å; A203-V216 PolarHBondContact N-O 3.19Å; A203-V216 PolarHBondContact O-N 3.36Å
204	H	91.1	Very high	77.7	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.009	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	126.4	-176.6	-51.5	-65.8	0	0	0	110.4	Y200 V213 T215 M236 H249 T250	Y200-H204 AromaticContact CE1-NE2 3.68Å; Y200-H204 AromaticContact CZ-NE2 3.83Å; Y200-H204 PolarHBondContact OH-NE2 3.43Å; Y200-H204 VanDerWaalsContact OH-NE2 3.11Å; H204-V213 HydrophobicContact CB-CG1 4.47Å; H204-T215 WeakPolarHBondContact ND1-CG2 3.47Å; H204-T215 PolarHBondContact ND1-OG1 3.23Å; H204-M236 HydrophobicContact CB-CE 4Å; H204-M236 HydrophobicContact CB-SD 3.65Å; H204-M236 VanDerWaalsContact CG-CE 3.48Å; H204-H249 HydrophobicContact CB-CB 4.01Å; H204-H249 WeakPolarHBondContact O-CA 3.31Å; H204-T250 PolarHBondContact O-N 2.73Å
205	F	89.1	Confident	79.3	Confident	26 Å²	26	45.7 Å²	45.7	11%	0.114	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	125.4	170.3	-60.3	-82.1	0	0	0	108.7	V213 V214 V216 T250 V252 L257 W273	F205-V213 CarbonylContact O-C 3.43Å; F205-V213 WeakPolarHBondContact O-CA 3.39Å; F205-V214 PolarHBondContact N-O 3.47Å; F205-V214 PolarHBondContact O-N 2.88Å; F205-V216 HydrophobicContact CE2-CG2 3.93Å; F205-T250 WeakPolarHBondContact CA-O 3.47Å; F205-T250 HydrophobicContact CD1-CG2 4.05Å; F205-T250 HydrophobicContact CE1-CG2 4.23Å; F205-V252 HydrophobicContact CB-CG2 4.3Å; F205-V252 HydrophobicContact CD1-CG2 4.06Å; F205-L257 HydrophobicContact CB-CD1 3.66Å; F205-W273 AromaticContact CD2-CZ3 3.84Å; F205-W273 HydrophobicContact CD2-CZ3 3.84Å; F205-W273 HydrophobicContact CE2-CE3 4.43Å; F205-W273 HydrophobicContact CE2-CZ3 4.02Å; F205-W273 HydrophobicContact CG-CZ3 4.37Å
206	V	91.2	Very high	80.6	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	137.6	-170.2	169.5	0	0	0	0	109.1	L212 V213 V233 M236 H249 T250 N251 V252	V206-L212 CarbonylContact C-O 3.57Å; V206-L212 WeakPolarHBondContact CA-O 3.15Å; V206-V213 HydrophobicContact CG2-CG1 4.26Å; V206-V213 HydrophobicContact CG2-CG2 4.1Å; V206-V233 HydrophobicContact CG1-CB 3.73Å; V206-V233 HydrophobicContact CG1-CG1 4.38Å; V206-V233 HydrophobicContact CG2-CB 4.33Å; V206-V233 HydrophobicContact CG2-CG1 4.22Å; V206-M236 HydrophobicContact CG2-SD 4.2Å; V206-H249 HydrophobicContact CG2-CB 3.81Å; V206-T250 PolarHBondContact N-O 2.9Å; V206-N251 CarbonylContact O-C 3.55Å; V206-N251 WeakPolarHBondContact O-CA 3.19Å; V206-V252 PolarHBondContact O-N 3.27Å
207	S	86.9	Confident	81.9	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	135.7	171.7	69	0	0	0	0	111.8	G209 D210 G211 L212 V252	S207-G209 PolarHBondContact O-N 3.43Å; S207-D210 WeakPolarHBondContact CB-OD1 3.37Å; S207-D210 PolarHBondContact OG-OD1 2.78Å; S207-G211 PolarHBondContact OG-N 2.8Å; S207-G211 VanDerWaalsContact OG-N 3.14Å; S207-L212 PolarHBondContact N-O 2.8Å; S207-L212 PolarHBondContact OG-N 2.66Å; S207-L212 PolarHBondContact OG-O 3.12Å; S207-V252 VanDerWaalsContact CA-O 3.31Å; S207-V252 WeakPolarHBondContact CA-O 3.37Å
208	N	81.9	Confident	83.2	Confident	4 Å²	4	33.3 Å²	33.3	2%	0.021	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-16.8	179.2	-68.4	89.2	0	0	0	114.7	V252 Y292 Y301 S303 P304 S305	N208-V252 PolarHBondContact N-O 3.45Å; N208-V252 VanDerWaalsContact OD1-C 3.23Å; N208-V252 PolarHBondContact OD1-N 2.8Å; N208-V252 PolarHBondContact OD1-O 2.93Å; N208-V252 VanDerWaalsContact OD1-O 3.06Å; N208-Y292 HydrophobicContact CB-CD1 3.56Å; N208-Y292 HydrophobicContact CB-CD2 4.04Å; N208-Y292 HydrophobicContact CB-CE1 4.05Å; N208-Y292 HydrophobicContact CB-CE2 4.5Å; N208-Y292 HydrophobicContact CB-CG 3.55Å; N208-Y292 WeakPolarHBondContact O-CE1 3.32Å; N208-Y301 PolarHBondContact O-OH 2.85Å; N208-S303 PolarHBondContact ND2-OG 2.92Å; N208-P304 PolarHBondContact ND2-O 3.47Å; N208-S305 WeakPolarHBondContact OD1-CB 3.33Å; N208-S305 PolarHBondContact OD1-OG 3.21Å
209	G	77.3	Confident	84.2	Confident	22 Å²	22	32.2 Å²	32.2	23%	0.227	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.9	-45.8	-166	0	0	0	0	0	116.6	S207 P232	S207-G209 PolarHBondContact O-N 3.43Å; G209-P232 WeakPolarHBondContact O-CG 3.39Å
210	D	80.5	Confident	84.8	Confident	30 Å²	30	27.4 Å²	27.4	16%	0.16	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-9.7	-172	69	-32.3	0	0	0	115.3	S207 N228 N230 S231 R258	S207-D210 WeakPolarHBondContact CB-OD1 3.37Å; S207-D210 PolarHBondContact OG-OD1 2.78Å; D210-N228 PolarHBondContact O-OD1 2.85Å; D210-N230 CarbonylContact O-C 3.52Å; D210-N230 VanDerWaalsContact O-CA 3.3Å; D210-N230 WeakPolarHBondContact O-CA 3.45Å; D210-S231 PolarHBondContact O-N 2.85Å; D210-R258 IonicContact OD2-CZ 3.69Å; D210-R258 IonicContact OD2-NE 2.66Å; D210-R258 IonicContact OD2-NH2 2.8Å; D210-R258 PolarHBondContact OD2-NH2 3.24Å
211	G	86.6	Confident	84.3	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.138	C	C	.	.			trans	86.5	16.5	179.4	0	0	0	0	0	115.4	S207 N228 Y229 S231	S207-G211 PolarHBondContact OG-N 2.8Å; S207-G211 VanDerWaalsContact OG-N 3.14Å; G211-N228 PolarHBondContact O-OD1 3.19Å; G211-N228 VanDerWaalsContact O-OD1 3.1Å; G211-Y229 WeakPolarHBondContact O-CD2 3.49Å; G211-Y229 PolarHBondContact O-N 2.95Å; G211-S231 WeakPolarHBondContact CA-O 3.47Å
212	L	89.1	Confident	83.8	Confident	22 Å²	22	22.2 Å²	22.2	12%	0.115	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	126.8	173.2	180	63.9	0	0	0	110.6	V206 S207 V226 N228 L257 R258	V206-L212 CarbonylContact C-O 3.57Å; V206-L212 WeakPolarHBondContact CA-O 3.15Å; S207-L212 PolarHBondContact N-O 2.8Å; S207-L212 PolarHBondContact OG-N 2.66Å; S207-L212 PolarHBondContact OG-O 3.12Å; L212-V226 HydrophobicContact CD1-CG1 3.63Å; L212-N228 HydrophobicContact CD1-CB 4.37Å; L212-N228 PolarHBondContact N-OD1 2.7Å; L212-L257 HydrophobicContact CB-CD2 4.32Å; L212-L257 HydrophobicContact CD2-CD2 4.11Å; L212-L257 HydrophobicContact CD2-CG 4.14Å; L212-L257 HydrophobicContact CG-CD2 4.02Å; L212-L257 WeakPolarHBondContact O-CD2 3.42Å; L212-R258 HydrophobicContact CD2-CG 3.97Å
213	V	93.2	Very high	83.6	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124.3	174	-173.1	0	0	0	0	110.1	H204 F205 V206 W225 V226 Q227 Y229 V233 M236	H204-V213 HydrophobicContact CB-CG1 4.47Å; F205-V213 CarbonylContact O-C 3.43Å; F205-V213 WeakPolarHBondContact O-CA 3.39Å; V206-V213 HydrophobicContact CG2-CG1 4.26Å; V206-V213 HydrophobicContact CG2-CG2 4.1Å; V213-W225 HydrophobicContact CB-CZ3 4.21Å; V213-W225 HydrophobicContact CG1-CH2 4.2Å; V213-W225 HydrophobicContact CG1-CZ3 3.89Å; V213-V226 WeakPolarHBondContact O-CA 3.43Å; V213-Q227 PolarHBondContact N-O 3.26Å; V213-Q227 PolarHBondContact O-N 2.93Å; V213-Y229 HydrophobicContact CB-CE2 4.04Å; V213-Y229 HydrophobicContact CG2-CD2 3.76Å; V213-Y229 HydrophobicContact CG2-CE2 3.6Å; V213-V233 HydrophobicContact CG2-CB 4.28Å; V213-V233 HydrophobicContact CG2-CG2 3.71Å; V213-M236 HydrophobicContact CG1-CE 4.21Å; V213-M236 HydrophobicContact CG1-SD 4.38Å
214	V	89	Confident	83.4	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	125.5	169	179.4	0	0	0	0	108.2	F205 V216 V223 V226 L257 W273	F205-V214 PolarHBondContact N-O 3.47Å; F205-V214 PolarHBondContact O-N 2.88Å; V214-V216 HydrophobicContact CG1-CG1 4.41Å; V214-V223 HydrophobicContact CG1-CG1 4.42Å; V214-V226 HydrophobicContact CB-CG2 4.47Å; V214-V226 HydrophobicContact CG1-CG2 4.18Å; V214-V226 HydrophobicContact CG2-CG1 4.07Å; V214-V226 HydrophobicContact CG2-CG2 4.1Å; V214-L257 HydrophobicContact CB-CD1 4.17Å; V214-L257 HydrophobicContact CG2-CD1 3.81Å; V214-L257 HydrophobicContact CG2-CD2 4.36Å; V214-L257 HydrophobicContact CG2-CG 4.07Å; V214-W273 HydrophobicContact CB-CH2 4.33Å; V214-W273 HydrophobicContact CB-CZ2 4.42Å; V214-W273 HydrophobicContact CG1-CH2 3.91Å; V214-W273 HydrophobicContact CG1-CZ2 3.72Å; V214-W273 HydrophobicContact CG2-CZ2 4.37Å
215	T	89.7	Confident	83.3	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	127.5	177.3	-62.2	0	0	0	0	110.5	M202 A203 H204 Q224 W225	M202-T215 HydrophobicContact CB-CG2 4.1Å; M202-T215 HydrophobicContact CE-CG2 3.53Å; A203-T215 WeakPolarHBondContact O-CA 3.36Å; H204-T215 WeakPolarHBondContact ND1-CG2 3.47Å; H204-T215 PolarHBondContact ND1-OG1 3.23Å; T215-Q224 HydrophobicContact CG2-CB 4.37Å; T215-Q224 PolarHBondContact O-N 3.43Å; T215-W225 HydrophobicContact CG2-CZ2 4.05Å; T215-W225 PolarHBondContact N-O 3.17Å; T215-W225 PolarHBondContact O-N 3.12Å; T215-W225 WeakPolarHBondContact OG1-CH2 3.28Å; T215-W225 WeakPolarHBondContact OG1-CZ2 3.46Å; T215-W225 VanDerWaalsContact OG1-CZ3 3.25Å; T215-W225 WeakPolarHBondContact OG1-CZ3 3.35Å
216	V	85	Confident	83.3	Confident	9 Å²	9	27 Å²	27	6%	0.055	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	157.4	175.8	-55.2	0	0	0	0	110.9	M202 A203 F205 V214 D222 V223 W273	M202-V216 WeakPolarHBondContact CA-O 3.41Å; A203-V216 HydrophobicContact CB-CG2 3.94Å; A203-V216 PolarHBondContact N-O 3.19Å; A203-V216 PolarHBondContact O-N 3.36Å; F205-V216 HydrophobicContact CE2-CG2 3.93Å; V214-V216 HydrophobicContact CG1-CG1 4.41Å; V216-D222 CarbonylContact C-O 3.51Å; V216-D222 WeakPolarHBondContact CA-O 3.46Å; V216-V223 HydrophobicContact CG1-CG2 4.16Å; V216-W273 HydrophobicContact CG1-CD2 4.24Å; V216-W273 HydrophobicContact CG1-CE3 4.12Å; V216-W273 HydrophobicContact CG1-CG 4.42Å
217	D	81.9	Confident	83.3	Confident	30 Å²	30	29.5 Å²	29.5	16%	0.16	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	134.5	164.6	-178.7	-77	0	0	0	109.7	K201 E219 T220 G221 D222 Q224	K201-D217 WeakPolarHBondContact O-CA 3.46Å; D217-E219 VanDerWaalsContact C-N 3.33Å; D217-E219 PolarHBondContact O-N 3.31Å; D217-E219 WeakPolarHBondContact OD1-CA 3.4Å; D217-E219 WeakPolarHBondContact OD1-CB 3.32Å; D217-E219 PolarHBondContact OD1-N 2.9Å; D217-T220 PolarHBondContact OD1-N 3.19Å; D217-G221 VanDerWaalsContact O-CA 3.31Å; D217-G221 WeakPolarHBondContact O-CA 3.34Å; D217-G221 PolarHBondContact O-N 3.17Å; D217-D222 PolarHBondContact N-O 2.82Å; D217-Q224 HydrophobicContact CB-CG 4.39Å
218	S	80.4	Confident	83.4	Confident	35 Å²	35	32 Å²	32	25%	0.245	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	0.8	-173.7	73.8	0	0	0	0	114.5	K201 F277	K201-S218 VanDerWaalsContact CA-OG 3.29Å; K201-S218 WeakPolarHBondContact CA-OG 3.38Å; K201-S218 PolarHBondContact O-N 3.09Å; K201-S218 PolarHBondContact O-OG 3.15Å; S218-F277 VanDerWaalsContact O-CE2 3.26Å; S218-F277 WeakPolarHBondContact O-CE2 3.49Å; S218-F277 WeakPolarHBondContact O-CZ 3.48Å
219	E	77.5	Confident	83.9	Confident	109 Å²	109	32.2 Å²	32.2	51%	0.509	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-36.4	173.8	-65.9	179.1	-177.3	0	0	111.4	K201 D217	K201-E219 WeakPolarHBondContact CE-OE1 3.42Å; K201-E219 IonicContact NZ-OE1 3.31Å; K201-E219 PolarHBondContact NZ-OE1 3.31Å; K201-E219 IonicContact NZ-OE2 2.74Å; K201-E219 PolarHBondContact NZ-OE2 2.8Å; D217-E219 VanDerWaalsContact C-N 3.33Å; D217-E219 PolarHBondContact O-N 3.31Å; D217-E219 WeakPolarHBondContact OD1-CA 3.4Å; D217-E219 WeakPolarHBondContact OD1-CB 3.32Å; D217-E219 PolarHBondContact OD1-N 2.9Å
220	T	75.8	Confident	84.4	Confident	80 Å²	80	37.7 Å²	37.7	49%	0.491	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-27.4	-178.5	70.9	0	0	0	0	115	D217 D222	D217-T220 PolarHBondContact OD1-N 3.19Å; T220-D222 VanDerWaalsContact C-N 3.3Å; T220-D222 WeakPolarHBondContact CB-OD2 3.41Å; T220-D222 WeakPolarHBondContact OG1-CB 3.33Å; T220-D222 PolarHBondContact OG1-N 3.08Å; T220-D222 VanDerWaalsContact OG1-N 3.07Å; T220-D222 PolarHBondContact OG1-OD2 2.81Å
221	G	69.1	Low	84.9	Confident	2 Å²	2	36.5 Å²	36.5	2%	0.021	20%	0.195	C	C	.	.			trans	78.9	4.7	-168.2	0	0	0	0	0	114.5	D217 V223 W273	D217-G221 VanDerWaalsContact O-CA 3.31Å; D217-G221 WeakPolarHBondContact O-CA 3.34Å; D217-G221 PolarHBondContact O-N 3.17Å; G221-V223 PolarHBondContact O-N 3.06Å; G221-W273 WeakPolarHBondContact O-CB 3.4Å; G221-W273 PolarHBondContact O-N 2.7Å; G221-W273 VanDerWaalsContact O-O 3.13Å
222	D	72.9	Confident	85.1	Confident	43 Å²	43	36.9 Å²	36.9	23%	0.23	20%	0.198	C	C	.	.			trans	-67	131.2	177.7	-59.4	-49.7	0	0	0	110.5	V216 D217 T220 Q224 Q272	V216-D222 CarbonylContact C-O 3.51Å; V216-D222 WeakPolarHBondContact CA-O 3.46Å; D217-D222 PolarHBondContact N-O 2.82Å; T220-D222 VanDerWaalsContact C-N 3.3Å; T220-D222 WeakPolarHBondContact CB-OD2 3.41Å; T220-D222 WeakPolarHBondContact OG1-CB 3.33Å; T220-D222 PolarHBondContact OG1-N 3.08Å; T220-D222 VanDerWaalsContact OG1-N 3.07Å; T220-D222 PolarHBondContact OG1-OD2 2.81Å; D222-Q224 PolarHBondContact O-N 2.93Å; D222-Q224 PolarHBondContact O-NE2 2.68Å; D222-Q272 WeakPolarHBondContact OD1-CG 3.37Å; D222-Q272 PolarHBondContact OD1-NE2 2.94Å
223	V	79.4	Confident	85.2	Confident	23 Å²	23	36.1 Å²	36.1	14%	0.139	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	118.2	178.1	-178.6	0	0	0	0	109.3	V214 V216 G221 V226 I270 W273	V214-V223 HydrophobicContact CG1-CG1 4.42Å; V216-V223 HydrophobicContact CG1-CG2 4.16Å; G221-V223 PolarHBondContact O-N 3.06Å; V223-V226 HydrophobicContact CG1-CG2 3.99Å; V223-I270 HydrophobicContact CG2-CG2 4.34Å; V223-W273 HydrophobicContact CG2-CB 4.37Å; V223-W273 HydrophobicContact CG2-CD2 4.38Å; V223-W273 HydrophobicContact CG2-CG 3.77Å
224	Q	84.3	Confident	85.2	Confident	84 Å²	84	36.3 Å²	36.3	39%	0.393	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-44.9	178.1	-61.8	-60.6	-62.2	0	0	111	M202 T215 D217 D222	M202-Q224 HydrophobicContact CE-CB 4.09Å; M202-Q224 HydrophobicContact CE-CG 4.03Å; T215-Q224 HydrophobicContact CG2-CB 4.37Å; T215-Q224 PolarHBondContact O-N 3.43Å; D217-Q224 HydrophobicContact CB-CG 4.39Å; D222-Q224 PolarHBondContact O-N 2.93Å; D222-Q224 PolarHBondContact O-NE2 2.68Å
225	W	89.1	Confident	85.4	Confident	14 Å²	14	36.3 Å²	36.3	5%	0.053	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	161.9	176.5	47	-96.5	0	0	0	112	L40 K54 G57 V213 T215 Q227 M236	L40-W225 HydrophobicContact CD2-CH2 4.06Å; L40-W225 HydrophobicContact CD2-CZ2 3.71Å; K54-W225 PolarHBondContact O-NE1 2.82Å; G57-W225 VanDerWaalsContact CA-CD2 3.41Å; G57-W225 VanDerWaalsContact N-CG 3.3Å; V213-W225 HydrophobicContact CB-CZ3 4.21Å; V213-W225 HydrophobicContact CG1-CH2 4.2Å; V213-W225 HydrophobicContact CG1-CZ3 3.89Å; T215-W225 HydrophobicContact CG2-CZ2 4.05Å; T215-W225 PolarHBondContact N-O 3.17Å; T215-W225 PolarHBondContact O-N 3.12Å; T215-W225 WeakPolarHBondContact OG1-CH2 3.28Å; T215-W225 WeakPolarHBondContact OG1-CZ2 3.46Å; T215-W225 VanDerWaalsContact OG1-CZ3 3.25Å; T215-W225 WeakPolarHBondContact OG1-CZ3 3.35Å; W225-Q227 HydrophobicContact CE3-CB 4.1Å; W225-Q227 HydrophobicContact CZ3-CB 4.13Å; W225-M236 HydrophobicContact CH2-CE 4.29Å
226	V	88.3	Confident	85.5	Confident	59 Å²	59	36.3 Å²	36.3	36%	0.358	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	130.4	170.6	-176.9	0	0	0	0	107.7	L212 V213 V214 V223	L212-V226 HydrophobicContact CD1-CG1 3.63Å; V213-V226 WeakPolarHBondContact O-CA 3.43Å; V214-V226 HydrophobicContact CB-CG2 4.47Å; V214-V226 HydrophobicContact CG1-CG2 4.18Å; V214-V226 HydrophobicContact CG2-CG1 4.07Å; V214-V226 HydrophobicContact CG2-CG2 4.1Å; V223-V226 HydrophobicContact CG1-CG2 3.99Å
227	Q	90.7	Very high	85.8	Confident	54 Å²	54	35.9 Å²	35.9	25%	0.252	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	137	179.4	179.9	62.4	60.7	0	0	109.3	V213 W225 Y229	V213-Q227 PolarHBondContact N-O 3.26Å; V213-Q227 PolarHBondContact O-N 2.93Å; W225-Q227 HydrophobicContact CE3-CB 4.1Å; W225-Q227 HydrophobicContact CZ3-CB 4.13Å; Q227-Y229 HydrophobicContact CB-CE2 4.04Å; Q227-Y229 HydrophobicContact CG-CD1 4.48Å; Q227-Y229 HydrophobicContact CG-CD2 4.36Å; Q227-Y229 HydrophobicContact CG-CE1 3.89Å; Q227-Y229 HydrophobicContact CG-CE2 3.74Å; Q227-Y229 VanDerWaalsContact CG-CZ 3.47Å
228	N	90.4	Very high	86.1	Confident	51 Å²	51	35.9 Å²	35.9	27%	0.273	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	136.7	168.4	-167.6	-4.1	0	0	0	109.8	D210 G211 L212 N230	D210-N228 PolarHBondContact O-OD1 2.85Å; G211-N228 PolarHBondContact O-OD1 3.19Å; G211-N228 VanDerWaalsContact O-OD1 3.1Å; L212-N228 HydrophobicContact CD1-CB 4.37Å; L212-N228 PolarHBondContact N-OD1 2.7Å; N228-N230 PolarHBondContact OD1-N 3Å
229	Y	91.5	Very high	86.3	Confident	9 Å²	9	36 Å²	36	4%	0.035	19%	0.188	C	C	.	.			trans	-104.7	-0.5	176.8	-60.1	-85.8	0	0	0	113.2	V42 H50 V52 I59 G211 V213 Q227 S231 V233	V42-Y229 HydrophobicContact CB-CE1 4.21Å; V42-Y229 HydrophobicContact CG1-CD1 4.4Å; V42-Y229 HydrophobicContact CG1-CD2 4.11Å; V42-Y229 HydrophobicContact CG1-CE1 4.23Å; V42-Y229 HydrophobicContact CG1-CE2 3.95Å; V42-Y229 HydrophobicContact CG1-CG 4.34Å; V42-Y229 HydrophobicContact CG2-CE1 4.41Å; V42-Y229 HydrophobicContact CG2-CE2 4.48Å; H50-Y229 HydrophobicContact CB-CD1 4.24Å; H50-Y229 HydrophobicContact CB-CE1 4.11Å; H50-Y229 AromaticContact CD2-CD1 3.44Å; H50-Y229 VanDerWaalsContact CD2-CD1 3.44Å; H50-Y229 WeakPolarHBondContact CD2-CD1 3.36Å; H50-Y229 AromaticContact CG-CD1 3.83Å; H50-Y229 AromaticContact NE2-CD1 3.91Å; V52-Y229 HydrophobicContact CG1-CE1 3.76Å; V52-Y229 WeakPolarHBondContact CG1-OH 3.2Å; I59-Y229 HydrophobicContact CD1-CD1 4.07Å; I59-Y229 HydrophobicContact CD1-CE1 4.13Å; I59-Y229 HydrophobicContact CG1-CD1 4.39Å; I59-Y229 HydrophobicContact CG1-CE1 3.95Å; G211-Y229 WeakPolarHBondContact O-CD2 3.49Å; G211-Y229 PolarHBondContact O-N 2.95Å; V213-Y229 HydrophobicContact CB-CE2 4.04Å; V213-Y229 HydrophobicContact CG2-CD2 3.76Å; V213-Y229 HydrophobicContact CG2-CE2 3.6Å; Q227-Y229 HydrophobicContact CB-CE2 4.04Å; Q227-Y229 HydrophobicContact CG-CD1 4.48Å; Q227-Y229 HydrophobicContact CG-CD2 4.36Å; Q227-Y229 HydrophobicContact CG-CE1 3.89Å; Q227-Y229 HydrophobicContact CG-CE2 3.74Å; Q227-Y229 VanDerWaalsContact CG-CZ 3.47Å; Y229-S231 PolarHBondContact O-N 3.2Å; Y229-V233 HydrophobicContact CD2-CG2 3.8Å; Y229-V233 HydrophobicContact CE2-CG2 4.47Å; Y229-V233 HydrophobicContact CG-CG2 4.31Å
230	N	87.1	Confident	86.2	Confident	138 Å²	138	33.3 Å²	33.3	74%	0.738	18%	0.175	S	C	*	.	S	Bend	trans	60.4	19.7	179.2	-47.8	-44.3	0	0	0	114.3	D210 N228	D210-N230 CarbonylContact O-C 3.52Å; D210-N230 VanDerWaalsContact O-CA 3.3Å; D210-N230 WeakPolarHBondContact O-CA 3.45Å; N228-N230 PolarHBondContact OD1-N 3Å
231	S	90.6	Very high	85.9	Confident	5 Å²	5	37.6 Å²	37.6	4%	0.035	18%	0.182	C	C	.	.	S	Bend	trans	-161.6	134.5	-176.3	-179.1	0	0	0	0	108	T44 D46 D210 G211 Y229 V233	T44-S231 WeakPolarHBondContact CB-OG 3.44Å; D46-S231 VanDerWaalsContact CG-OG 3.28Å; D46-S231 PolarHBondContact N-OG 2.84Å; D46-S231 WeakPolarHBondContact OD1-CB 3.48Å; D46-S231 PolarHBondContact OD1-OG 3.09Å; D210-S231 PolarHBondContact O-N 2.85Å; G211-S231 WeakPolarHBondContact CA-O 3.47Å; Y229-S231 PolarHBondContact O-N 3.2Å; S231-V233 PolarHBondContact O-N 3.18Å
232	P	90.8	Very high	86	Confident	8 Å²	8	42 Å²	42	5%	0.052	20%	0.202	C	C	.	.			trans	-50.7	128.6	-178.2	-27.3	32.7	0	0	0	112.1	T44 L45 G209 Y301	T44-P232 CarbonylContact C-O 3.6Å; T44-P232 VanDerWaalsContact CA-O 3.23Å; T44-P232 WeakPolarHBondContact CA-O 3.4Å; L45-P232 HydrophobicContact CB-CB 4.18Å; L45-P232 HydrophobicContact CB-CG 4.39Å; L45-P232 HydrophobicContact CD2-CB 4.32Å; L45-P232 HydrophobicContact CD2-CG 4.04Å; L45-P232 PolarHBondContact N-O 2.93Å; G209-P232 WeakPolarHBondContact O-CG 3.39Å; P232-Y301 WeakPolarHBondContact CG-OH 3.4Å
233	V	92.9	Very high	86.2	Confident	5 Å²	5	40.6 Å²	40.6	3%	0.03	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	129.5	175	170.2	0	0	0	0	108.7	V42 S43 T44 V206 V213 Y229 S231 M236 H249	V42-V233 HydrophobicContact CG1-CB 4.18Å; V42-V233 HydrophobicContact CG1-CG1 3.62Å; V42-V233 HydrophobicContact CG1-CG2 3.44Å; V42-V233 VanDerWaalsContact CG1-CG2 3.44Å; S43-V233 WeakPolarHBondContact O-CA 3.33Å; T44-V233 HydrophobicContact CG2-CG2 3.91Å; V206-V233 HydrophobicContact CG1-CB 3.73Å; V206-V233 HydrophobicContact CG1-CG1 4.38Å; V206-V233 HydrophobicContact CG2-CB 4.33Å; V206-V233 HydrophobicContact CG2-CG1 4.22Å; V213-V233 HydrophobicContact CG2-CB 4.28Å; V213-V233 HydrophobicContact CG2-CG2 3.71Å; Y229-V233 HydrophobicContact CD2-CG2 3.8Å; Y229-V233 HydrophobicContact CE2-CG2 4.47Å; Y229-V233 HydrophobicContact CG-CG2 4.31Å; S231-V233 PolarHBondContact O-N 3.18Å; V233-M236 HydrophobicContact CG1-CG 3.8Å; V233-M236 HydrophobicContact CG1-SD 4.27Å; V233-H249 PolarHBondContact O-NE2 2.77Å
234	V	92.4	Very high	86.6	Confident	4 Å²	4	39.7 Å²	39.7	2%	0.024	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	-24.4	-171.1	-52.7	0	0	0	0	112.1	S43 L45 V68 P84 N85 H249	S43-V234 PolarHBondContact O-N 2.9Å; L45-V234 HydrophobicContact CB-CG1 3.9Å; V68-V234 HydrophobicContact CG1-CG2 4.23Å; V68-V234 HydrophobicContact CG2-CG2 4.14Å; P84-V234 HydrophobicContact CB-CB 4.24Å; P84-V234 HydrophobicContact CB-CG1 3.67Å; P84-V234 HydrophobicContact CG-CG1 4.12Å; N85-V234 WeakPolarHBondContact CA-O 3.17Å; N85-V234 PolarHBondContact OD1-O 3.09Å; V234-H249 PolarHBondContact O-CE1 2.83Å
235	A	92.9	Very high	86.7	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.008	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	150.5	176.9	0	0	0	0	0	110.9	S43 Y237 K246 H249	S43-A235 PolarHBondContact N-O 2.79Å; A235-Y237 HydrophobicContact CB-CD2 4.47Å; A235-Y237 HydrophobicContact CB-CE2 3.49Å; A235-Y237 VanDerWaalsContact CB-CE2 3.49Å; A235-Y237 VanDerWaalsContact CB-OH 3.24Å; A235-Y237 WeakPolarHBondContact CB-OH 3.3Å; A235-K246 HydrophobicContact CB-CD 4.45Å; A235-H249 VanDerWaalsContact CA-CE1 3.4Å; A235-H249 WeakPolarHBondContact CA-CE1 3.2Å
236	M	92.8	Very high	86.7	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	145.1	174.3	-59.9	179.1	67.8	0	0	108.9	L40 F41 V42 H204 V206 V213 W225 V233 K246 V247 H249	L40-M236 HydrophobicContact CD2-CE 3.77Å; F41-M236 CarbonylContact O-C 3.58Å; F41-M236 VanDerWaalsContact O-CA 3.3Å; F41-M236 WeakPolarHBondContact O-CA 3.25Å; V42-M236 HydrophobicContact CG2-CE 4.1Å; H204-M236 HydrophobicContact CB-CE 4Å; H204-M236 HydrophobicContact CB-SD 3.65Å; H204-M236 VanDerWaalsContact CG-CE 3.48Å; V206-M236 HydrophobicContact CG2-SD 4.2Å; V213-M236 HydrophobicContact CG1-CE 4.21Å; V213-M236 HydrophobicContact CG1-SD 4.38Å; W225-M236 HydrophobicContact CH2-CE 4.29Å; V233-M236 HydrophobicContact CG1-CG 3.8Å; V233-M236 HydrophobicContact CG1-SD 4.27Å; M236-K246 CarbonylContact O-C 3.59Å; M236-K246 WeakPolarHBondContact O-CA 3.41Å; M236-V247 HydrophobicContact CB-CB 4.45Å; M236-V247 PolarHBondContact O-N 2.93Å; M236-H249 HydrophobicContact SD-CB 3.92Å
237	Y	91.2	Very high	86.6	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	153.8	-175.1	-49.9	-97.6	0	0	0	113.2	L40 F41 L49 D188 A235 L244 R245 K246	L40-Y237 CarbonylContact C-O 3.6Å; L40-Y237 WeakPolarHBondContact CD1-O 3.32Å; F41-Y237 PolarHBondContact N-O 2.93Å; F41-Y237 PolarHBondContact O-N 3.03Å; L49-Y237 HydrophobicContact CD1-CD2 4.41Å; D188-Y237 PolarHBondContact OD1-OH 3.02Å; A235-Y237 HydrophobicContact CB-CD2 4.47Å; A235-Y237 HydrophobicContact CB-CE2 3.49Å; A235-Y237 VanDerWaalsContact CB-CE2 3.49Å; A235-Y237 VanDerWaalsContact CB-OH 3.24Å; A235-Y237 WeakPolarHBondContact CB-OH 3.3Å; Y237-L244 HydrophobicContact CD1-CB 4.1Å; Y237-L244 HydrophobicContact CD1-CD1 4.33Å; Y237-L244 HydrophobicContact CG-CB 4.46Å; Y237-L244 HydrophobicContact CG-CD1 4.32Å; Y237-L244 HydrophobicContact CG-CD2 4.48Å; Y237-R245 CarbonylContact C-O 3.59Å; Y237-R245 WeakPolarHBondContact CA-O 3.43Å; Y237-R245 WeakPolarHBondContact CB-O 3.38Å; Y237-K246 HydrophobicContact CD1-CB 3.88Å; Y237-K246 HydrophobicContact CD1-CG 4.16Å; Y237-K246 HydrophobicContact CE1-CB 3.74Å; Y237-K246 HydrophobicContact CE1-CD 3.93Å; Y237-K246 HydrophobicContact CE1-CG 3.7Å
238	I	88.3	Confident	86.4	Confident	30 Å²	30	39.9 Å²	39.9	15%	0.154	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	157.9	161.1	55.8	177.2	0	0	0	110.6	L40 Y200 L244 R245 V247	L40-I238 HydrophobicContact CD1-CG2 3.75Å; Y200-I238 HydrophobicContact CD2-CD1 4.24Å; Y200-I238 HydrophobicContact CE2-CD1 4.27Å; Y200-I238 HydrophobicContact CE2-CG2 3.9Å; I238-L244 CarbonylContact O-C 3.57Å; I238-L244 WeakPolarHBondContact O-CA 3.43Å; I238-R245 HydrophobicContact CG1-CB 4.01Å; I238-R245 PolarHBondContact N-O 2.93Å; I238-R245 PolarHBondContact O-N 2.93Å; I238-V247 HydrophobicContact CG1-CG2 4.18Å; I238-V247 HydrophobicContact CG2-CG2 4.12Å
239	W	83.3	Confident	86.3	Confident	38 Å²	38	39.2 Å²	39.2	14%	0.144	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	132.8	167.7	-170.8	-98.5	0	0	0	110.5	L35 F41 L161 L163 E242 G243 L244	L35-W239 HydrophobicContact CB-CB 4.3Å; L35-W239 HydrophobicContact CB-CG 4.3Å; L35-W239 HydrophobicContact CD1-CB 4.32Å; L35-W239 VanDerWaalsContact CD1-CD1 3.43Å; L35-W239 HydrophobicContact CD1-CD2 4.03Å; L35-W239 HydrophobicContact CD1-CG 3.7Å; L35-W239 HydrophobicContact CD2-CB 3.75Å; L35-W239 HydrophobicContact CD2-CG 4.04Å; L35-W239 HydrophobicContact CG-CB 4.32Å; L35-W239 HydrophobicContact CG-CG 4.2Å; F41-W239 HydrophobicContact CE2-CB 4.06Å; L161-W239 HydrophobicContact CD1-CD2 3.87Å; L161-W239 HydrophobicContact CD1-CE3 3.63Å; L161-W239 HydrophobicContact CD1-CH2 3.64Å; L161-W239 HydrophobicContact CD1-CZ2 3.84Å; L161-W239 HydrophobicContact CD1-CZ3 3.52Å; L161-W239 HydrophobicContact CG-CH2 4.44Å; L161-W239 HydrophobicContact CG-CZ3 4.29Å; L163-W239 HydrophobicContact CD2-CZ3 4.04Å; W239-E242 HydrophobicContact CZ2-CB 4.45Å; W239-G243 WeakPolarHBondContact CA-O 3.43Å; W239-G243 VanDerWaalsContact CE3-C 3.42Å; W239-L244 HydrophobicContact CE3-CD2 4.02Å; W239-L244 HydrophobicContact CE3-CG 4.27Å; W239-L244 HydrophobicContact CZ3-CG 4.4Å
240	Q	75.6	Confident	86.1	Confident	51 Å²	51	41.4 Å²	41.4	24%	0.238	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	136	177.6	-167.8	172.3	14.6	0	0	110.4	E242 G243	Q240-E242 VanDerWaalsContact C-N 3.32Å; Q240-E242 PolarHBondContact O-N 2.77Å; Q240-G243 PolarHBondContact N-O 3.3Å; Q240-G243 PolarHBondContact O-N 2.95Å
241	R	69.9	Low	85.8	Confident	170 Å²	170	35.8 Å²	35.8	64%	0.642	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.7	49.1	179.5	-62	-178.3	-172.2	165.5	8.7	113.3	D195 G243	D195-R241 VanDerWaalsContact CG-CZ 3.46Å; D195-R241 VanDerWaalsContact CG-NH1 3.25Å; D195-R241 IonicContact OD1-CZ 3.6Å; D195-R241 IonicContact OD1-NH1 2.69Å; D195-R241 PolarHBondContact OD1-NH1 2.92Å; D195-R241 IonicContact OD1-NH2 2.71Å; D195-R241 PolarHBondContact OD1-NH2 2.88Å; D195-R241 IonicContact OD2-CZ 3.32Å; D195-R241 IonicContact OD2-NE 3.82Å; D195-R241 IonicContact OD2-NH1 3.35Å; D195-R241 PolarHBondContact OD2-NH1 3.34Å; D195-R241 VanDerWaalsContact OD2-NH1 3.08Å; D195-R241 IonicContact OD2-NH2 1.86Å; D195-R241 PolarHBondContact OD2-NH2 3.19Å; R241-G243 PolarHBondContact O-N 3.27Å
242	E	71.3	Confident	85.4	Confident	96 Å²	96	35.7 Å²	35.7	45%	0.449	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	32.6	178.7	-48.3	-63.3	-174.8	0	0	115.8	T32 V33 W239 Q240	T32-E242 VanDerWaalsContact CA-OE1 3.31Å; T32-E242 WeakPolarHBondContact CA-OE1 3.35Å; T32-E242 WeakPolarHBondContact CB-OE1 3.48Å; T32-E242 VanDerWaalsContact CG2-OE1 3.31Å; T32-E242 WeakPolarHBondContact CG2-OE1 3.46Å; V33-E242 PolarHBondContact N-OE1 3.28Å; W239-E242 HydrophobicContact CZ2-CB 4.45Å; Q240-E242 VanDerWaalsContact C-N 3.32Å; Q240-E242 PolarHBondContact O-N 2.77Å
243	G	78.4	Confident	84.6	Confident	12 Å²	12	35.6 Å²	35.6	12%	0.124	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	171.7	169.2	0	0	0	0	0	114.3	W239 Q240 R241	W239-G243 WeakPolarHBondContact CA-O 3.43Å; W239-G243 VanDerWaalsContact CE3-C 3.42Å; Q240-G243 PolarHBondContact N-O 3.3Å; Q240-G243 PolarHBondContact O-N 2.95Å; R241-G243 PolarHBondContact O-N 3.27Å
244	L	87.1	Confident	83.8	Confident	4 Å²	4	36 Å²	36	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	155.9	171.6	-67.9	177.2	0	0	0	111.9	F41 L163 Y189 S191 T192 Y237 I238 W239	F41-L244 HydrophobicContact CD2-CD2 3.78Å; F41-L244 HydrophobicContact CE2-CD2 4.06Å; F41-L244 HydrophobicContact CG-CD2 4.16Å; L163-L244 HydrophobicContact CD2-CD1 3.99Å; L163-L244 HydrophobicContact CD2-CD2 4.24Å; L163-L244 HydrophobicContact CD2-CG 4.04Å; Y189-L244 HydrophobicContact CD1-CD1 4.46Å; Y189-L244 HydrophobicContact CG-CD1 4.48Å; S191-L244 CarbonylContact C-O 3.58Å; S191-L244 WeakPolarHBondContact CA-O 3.39Å; T192-L244 PolarHBondContact N-O 2.83Å; T192-L244 PolarHBondContact OG1-O 2.87Å; T192-L244 VanDerWaalsContact OG1-O 3.1Å; Y237-L244 HydrophobicContact CD1-CB 4.1Å; Y237-L244 HydrophobicContact CD1-CD1 4.33Å; Y237-L244 HydrophobicContact CG-CB 4.46Å; Y237-L244 HydrophobicContact CG-CD1 4.32Å; Y237-L244 HydrophobicContact CG-CD2 4.48Å; I238-L244 CarbonylContact O-C 3.57Å; I238-L244 WeakPolarHBondContact O-CA 3.43Å; W239-L244 HydrophobicContact CE3-CD2 4.02Å; W239-L244 HydrophobicContact CE3-CG 4.27Å; W239-L244 HydrophobicContact CZ3-CG 4.4Å
245	R	86.4	Confident	82.8	Confident	22 Å²	22	41.2 Å²	41.2	8%	0.083	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	121.8	169.5	-70.3	-174.1	170.7	-168.1	-15	110.2	T192 L193 D195 Y237 I238	T192-R245 WeakPolarHBondContact OG1-CG 3.42Å; T192-R245 PolarHBondContact OG1-NE 3.36Å; T192-R245 VanDerWaalsContact OG1-NE 3.16Å; L193-R245 PolarHBondContact O-NH2 3.04Å; D195-R245 IonicContact OD2-CZ 3.97Å; D195-R245 IonicContact OD2-NH1 3.2Å; D195-R245 PolarHBondContact OD2-NH1 2.71Å; D195-R245 IonicContact OD2-NH2 3.94Å; D195-R245 PolarHBondContact OD2-NH2 2.89Å; Y237-R245 CarbonylContact C-O 3.59Å; Y237-R245 WeakPolarHBondContact CA-O 3.43Å; Y237-R245 WeakPolarHBondContact CB-O 3.38Å; I238-R245 HydrophobicContact CG1-CB 4.01Å; I238-R245 PolarHBondContact N-O 2.93Å; I238-R245 PolarHBondContact O-N 2.93Å
246	K	88.1	Confident	81.9	Confident	74 Å²	74	41.1 Å²	41.1	32%	0.322	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	126.8	-178.5	-157	161.5	179.3	168	0	109.5	N85 D188 A235 M236 Y237	N85-K246 PolarHBondContact O-NZ 2.86Å; D188-K246 IonicContact OD1-NZ 2.77Å; D188-K246 PolarHBondContact OD1-NZ 2.87Å; D188-K246 IonicContact OD2-NZ 3.73Å; D188-K246 PolarHBondContact OD2-NZ 2.91Å; A235-K246 HydrophobicContact CB-CD 4.45Å; M236-K246 CarbonylContact O-C 3.59Å; M236-K246 WeakPolarHBondContact O-CA 3.41Å; Y237-K246 HydrophobicContact CD1-CB 3.88Å; Y237-K246 HydrophobicContact CD1-CG 4.16Å; Y237-K246 HydrophobicContact CE1-CB 3.74Å; Y237-K246 HydrophobicContact CE1-CD 3.93Å; Y237-K246 HydrophobicContact CE1-CG 3.7Å
247	V	87.8	Confident	81.2	Confident	10 Å²	10	41.1 Å²	41.1	6%	0.061	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	136.7	-177.8	178.7	0	0	0	0	108.3	Y200 M236 I238 H249	Y200-V247 HydrophobicContact CD1-CG1 4.02Å; Y200-V247 HydrophobicContact CE1-CG1 3.45Å; Y200-V247 VanDerWaalsContact CE1-CG1 3.45Å; Y200-V247 HydrophobicContact CE2-CG1 4.37Å; Y200-V247 HydrophobicContact CE2-CG2 4.3Å; M236-V247 HydrophobicContact CB-CB 4.45Å; M236-V247 PolarHBondContact O-N 2.93Å; I238-V247 HydrophobicContact CG1-CG2 4.18Å; I238-V247 HydrophobicContact CG2-CG2 4.12Å; V247-H249 PolarHBondContact O-N 3.48Å
248	P	85.1	Confident	80.4	Confident	109 Å²	109	47.6 Å²	47.6	71%	0.708	23%	0.226	S	C	*	.	P	Polyproline II helix	trans	-68.2	132.4	178.8	27.9	-35	0	0	0	112.1
249	H	88.5	Confident	79.5	Confident	37 Å²	37	50.8 Å²	50.8	17%	0.171	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	156.4	167.7	66	-81.7	0	0	0	110.4	N85 H204 V206 V233 V234 A235 M236 V247 N251	N85-H249 PolarHBondContact OD1-CE1 2.85Å; N85-H249 PolarHBondContact OD1-NE2 2.82Å; H204-H249 HydrophobicContact CB-CB 4.01Å; H204-H249 WeakPolarHBondContact O-CA 3.31Å; V206-H249 HydrophobicContact CG2-CB 3.81Å; V233-H249 PolarHBondContact O-NE2 2.77Å; V234-H249 PolarHBondContact O-CE1 2.83Å; A235-H249 VanDerWaalsContact CA-CE1 3.4Å; A235-H249 WeakPolarHBondContact CA-CE1 3.2Å; M236-H249 HydrophobicContact SD-CB 3.92Å; V247-H249 PolarHBondContact O-N 3.48Å; H249-N251 PolarHBondContact CD2-OD1 2.85Å; H249-N251 PolarHBondContact NE2-ND2 3.22Å; H249-N251 PolarHBondContact NE2-OD1 2.61Å
250	T	86.9	Confident	78.8	Confident	55 Å²	55	50.8 Å²	50.8	34%	0.337	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	119.8	178.8	-59.6	0	0	0	0	109.7	H204 F205 V206 V252 L306	H204-T250 PolarHBondContact O-N 2.73Å; F205-T250 WeakPolarHBondContact CA-O 3.47Å; F205-T250 HydrophobicContact CD1-CG2 4.05Å; F205-T250 HydrophobicContact CE1-CG2 4.23Å; V206-T250 PolarHBondContact N-O 2.9Å; T250-V252 HydrophobicContact CG2-CG2 4.24Å; T250-L306 HydrophobicContact CG2-CD1 3.61Å; T250-L306 HydrophobicContact CG2-CG 4.4Å
251	N	82.4	Confident	78.5	Confident	20 Å²	20	49.6 Å²	49.6	11%	0.107	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	132.4	177.3	-72.2	-18.9	0	0	0	111.7	N85 V206 H249 S303 P304 L306	N85-N251 PolarHBondContact ND2-ND2 2.9Å; N85-N251 PolarHBondContact OD1-ND2 3.47Å; V206-N251 CarbonylContact O-C 3.55Å; V206-N251 WeakPolarHBondContact O-CA 3.19Å; H249-N251 PolarHBondContact CD2-OD1 2.85Å; H249-N251 PolarHBondContact NE2-ND2 3.22Å; H249-N251 PolarHBondContact NE2-OD1 2.61Å; N251-S303 PolarHBondContact ND2-OG 3.05Å; N251-P304 WeakPolarHBondContact CB-O 3.34Å; N251-L306 PolarHBondContact O-N 3.21Å
252	V	80.6	Confident	78.1	Confident	4 Å²	4	49.4 Å²	49.4	2%	0.024	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	142	-172	-175.3	0	0	0	0	108.8	F205 V206 S207 N208 T250 T256 L257 L306	F205-V252 HydrophobicContact CB-CG2 4.3Å; F205-V252 HydrophobicContact CD1-CG2 4.06Å; V206-V252 PolarHBondContact O-N 3.27Å; S207-V252 VanDerWaalsContact CA-O 3.31Å; S207-V252 WeakPolarHBondContact CA-O 3.37Å; N208-V252 PolarHBondContact N-O 3.45Å; N208-V252 VanDerWaalsContact OD1-C 3.23Å; N208-V252 PolarHBondContact OD1-N 2.8Å; N208-V252 PolarHBondContact OD1-O 2.93Å; N208-V252 VanDerWaalsContact OD1-O 3.06Å; T250-V252 HydrophobicContact CG2-CG2 4.24Å; V252-T256 HydrophobicContact CG1-CG2 3.57Å; V252-L257 HydrophobicContact CB-CB 4.23Å; V252-L257 HydrophobicContact CG1-CB 3.94Å; V252-L306 WeakPolarHBondContact CG1-O 3.38Å; V252-L306 HydrophobicContact CG2-CB 4.47Å
253	A	74.9	Confident	77.3	Confident	6 Å²	6	50.2 Å²	50.2	5%	0.05	25%	0.245	C	C	.	.			trans	-61.4	144.6	175.8	0	0	0	0	0	111	E255 T256 L257 S305 L306 V307	A253-E255 VanDerWaalsContact C-N 3.25Å; A253-E255 PolarHBondContact O-N 2.95Å; A253-T256 CarbonylContact O-C 3.55Å; A253-T256 WeakPolarHBondContact O-CA 3.35Å; A253-T256 PolarHBondContact O-N 2.76Å; A253-L257 PolarHBondContact O-N 2.79Å; A253-S305 PolarHBondContact N-OG 2.77Å; A253-L306 PolarHBondContact N-O 3.09Å; A253-V307 HydrophobicContact CB-CG1 3.56Å
254	V	76.7	Confident	76.2	Confident	13 Å²	13	51 Å²	51	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-53.2	-44.9	-174.1	178.4	0	0	0	0	111.1	L257 R258	V254-L257 PolarHBondContact O-N 3.29Å; V254-R258 VanDerWaalsContact O-CB 3.31Å; V254-R258 WeakPolarHBondContact O-CB 3.37Å; V254-R258 WeakPolarHBondContact O-CG 3.35Å; V254-R258 PolarHBondContact O-N 3.37Å
255	E	70.2	Confident	74.2	Confident	113 Å²	113	52.7 Å²	52.7	53%	0.528	27%	0.267	S	S	.	.	H	α-helix	trans	-66.3	-37.9	178.9	-56.7	65.9	-140.7	0	0	111.3	A253 Y259	A253-E255 VanDerWaalsContact C-N 3.25Å; A253-E255 PolarHBondContact O-N 2.95Å; E255-Y259 WeakPolarHBondContact O-CB 3.5Å; E255-Y259 PolarHBondContact O-N 2.95Å
256	T	74.6	Confident	71.9	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-72.3	-43.1	178.6	-65.2	0	0	0	0	111.3	V252 A253 Y259 L260 F287 V307 H308 V311	V252-T256 HydrophobicContact CG1-CG2 3.57Å; A253-T256 CarbonylContact O-C 3.55Å; A253-T256 WeakPolarHBondContact O-CA 3.35Å; A253-T256 PolarHBondContact O-N 2.76Å; T256-Y259 PolarHBondContact O-N 2.85Å; T256-L260 HydrophobicContact CG2-CD1 4.1Å; T256-L260 HydrophobicContact CG2-CG 4.41Å; T256-L260 VanDerWaalsContact O-CG 3.28Å; T256-L260 WeakPolarHBondContact O-CG 3.5Å; T256-L260 PolarHBondContact O-N 3.08Å; T256-F287 HydrophobicContact CG2-CD1 4.42Å; T256-F287 HydrophobicContact CG2-CE1 4.05Å; T256-V307 WeakPolarHBondContact OG1-CA 3.49Å; T256-H308 HydrophobicContact CG2-CB 4.07Å; T256-H308 PolarHBondContact OG1-N 2.88Å; T256-H308 PolarHBondContact OG1-ND1 2.75Å; T256-V311 VanDerWaalsContact OG1-CG2 3.24Å; T256-V311 WeakPolarHBondContact OG1-CG2 3.23Å
257	L	78.4	Confident	69.4	Low	0 Å²	0	64 Å²	64	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-66.6	-41.4	178.6	-170.6	57.4	0	0	0	111.2	F205 L212 V214 V252 A253 V254 T261 W273	F205-L257 HydrophobicContact CB-CD1 3.66Å; L212-L257 HydrophobicContact CB-CD2 4.32Å; L212-L257 HydrophobicContact CD2-CD2 4.11Å; L212-L257 HydrophobicContact CD2-CG 4.14Å; L212-L257 HydrophobicContact CG-CD2 4.02Å; L212-L257 WeakPolarHBondContact O-CD2 3.42Å; V214-L257 HydrophobicContact CB-CD1 4.17Å; V214-L257 HydrophobicContact CG2-CD1 3.81Å; V214-L257 HydrophobicContact CG2-CD2 4.36Å; V214-L257 HydrophobicContact CG2-CG 4.07Å; V252-L257 HydrophobicContact CB-CB 4.23Å; V252-L257 HydrophobicContact CG1-CB 3.94Å; A253-L257 PolarHBondContact O-N 2.79Å; V254-L257 PolarHBondContact O-N 3.29Å; L257-T261 WeakPolarHBondContact O-CB 3.36Å; L257-T261 PolarHBondContact O-N 3.06Å; L257-T261 PolarHBondContact O-OG1 2.95Å; L257-W273 HydrophobicContact CD1-CH2 4.01Å
258	R	74.1	Confident	67.2	Low	136 Å²	136	67.3 Å²	67.3	51%	0.513	37%	0.368	S	S	.	.	H	α-helix	trans	-64	-43.6	172.7	-69.7	172.4	-179.6	-168.3	1	111.8	D210 L212 V254 T261 F262	D210-R258 IonicContact OD2-CZ 3.69Å; D210-R258 IonicContact OD2-NE 2.66Å; D210-R258 IonicContact OD2-NH2 2.8Å; D210-R258 PolarHBondContact OD2-NH2 3.24Å; L212-R258 HydrophobicContact CD2-CG 3.97Å; V254-R258 VanDerWaalsContact O-CB 3.31Å; V254-R258 WeakPolarHBondContact O-CB 3.37Å; V254-R258 WeakPolarHBondContact O-CG 3.35Å; V254-R258 PolarHBondContact O-N 3.37Å; R258-T261 PolarHBondContact O-N 3.13Å; R258-F262 WeakPolarHBondContact O-CB 3.48Å; R258-F262 PolarHBondContact O-N 2.94Å
259	Y	69.4	Low	65.1	Low	96 Å²	96	71.3 Å²	71.3	38%	0.376	37%	0.369	S	S	.	.	H	α-helix	trans	-59.4	-47.2	175.3	172.4	-97.7	0	0	0	112.3	E255 T256 T261 F262 M263 H308	E255-Y259 WeakPolarHBondContact O-CB 3.5Å; E255-Y259 PolarHBondContact O-N 2.95Å; T256-Y259 PolarHBondContact O-N 2.85Å; Y259-T261 VanDerWaalsContact C-N 3.34Å; Y259-T261 PolarHBondContact O-N 3.47Å; Y259-F262 PolarHBondContact O-N 3.5Å; Y259-M263 HydrophobicContact CD1-CG 4.3Å; Y259-M263 HydrophobicContact CD2-CG 3.72Å; Y259-M263 HydrophobicContact CE1-CG 4.04Å; Y259-M263 HydrophobicContact CE2-CG 3.42Å; Y259-M263 VanDerWaalsContact CE2-CG 3.42Å; Y259-M263 HydrophobicContact CE2-SD 4.01Å; Y259-M263 HydrophobicContact CG-CG 4.15Å; Y259-M263 VanDerWaalsContact O-CB 3.3Å; Y259-M263 WeakPolarHBondContact O-CB 3.44Å; Y259-M263 VanDerWaalsContact O-CG 3.27Å; Y259-M263 WeakPolarHBondContact O-CG 3.42Å; Y259-M263 PolarHBondContact O-N 3.21Å; Y259-H308 AromaticContact CD1-CD2 3.86Å; Y259-H308 AromaticContact CD1-CE1 3.84Å; Y259-H308 AromaticContact CD1-ND1 3.99Å; Y259-H308 AromaticContact CD1-NE2 3.77Å; Y259-H308 AromaticContact CE1-CD2 3.74Å; Y259-H308 AromaticContact CE1-NE2 3.94Å; Y259-H308 AromaticContact CG-CE1 3.8Å; Y259-H308 AromaticContact CG-NE2 3.83Å
260	L	69.4	Low	63.2	Low	38 Å²	38	74 Å²	74	20%	0.199	38%	0.384	C	S	.	.	H	α-helix	trans	-63.5	-40.6	177.2	-67.3	172.2	0	0	0	112	T256 F262 S264 W273 F287	T256-L260 HydrophobicContact CG2-CD1 4.1Å; T256-L260 HydrophobicContact CG2-CG 4.41Å; T256-L260 VanDerWaalsContact O-CG 3.28Å; T256-L260 WeakPolarHBondContact O-CG 3.5Å; T256-L260 PolarHBondContact O-N 3.08Å; L260-F262 VanDerWaalsContact C-N 3.34Å; L260-F262 PolarHBondContact O-N 3.02Å; L260-S264 PolarHBondContact O-N 3.36Å; L260-W273 HydrophobicContact CB-CH2 3.72Å; L260-W273 HydrophobicContact CB-CZ2 3.86Å; L260-W273 HydrophobicContact CB-CZ3 4.35Å; L260-W273 HydrophobicContact CD1-CH2 4.33Å; L260-W273 HydrophobicContact CD1-CZ3 4.44Å; L260-F287 HydrophobicContact CD1-CE1 3.93Å; L260-F287 HydrophobicContact CD1-CZ 3.93Å; L260-F287 HydrophobicContact CD2-CE1 4.2Å; L260-F287 HydrophobicContact CD2-CZ 3.86Å; L260-F287 HydrophobicContact CG-CZ 4.48Å
261	T	68.1	Low	61.2	Low	26 Å²	26	75.3 Å²	75.3	16%	0.16	39%	0.391	C	S	.	.	H	α-helix	trans	-63.1	-40.3	175.9	-52.9	0	0	0	0	111.7	L257 R258 Y259	L257-T261 WeakPolarHBondContact O-CB 3.36Å; L257-T261 PolarHBondContact O-N 3.06Å; L257-T261 PolarHBondContact O-OG1 2.95Å; R258-T261 PolarHBondContact O-N 3.13Å; Y259-T261 VanDerWaalsContact C-N 3.34Å; Y259-T261 PolarHBondContact O-N 3.47Å
262	F	61.4	Low	59.4	Low	166 Å²	166	79.6 Å²	79.6	73%	0.728	41%	0.411	S	S	*	.	H	α-helix	trans	-74.6	-46.6	179.9	-171.3	-95.3	0	0	0	112.6	R258 Y259 L260 S264 G265	R258-F262 WeakPolarHBondContact O-CB 3.48Å; R258-F262 PolarHBondContact O-N 2.94Å; Y259-F262 PolarHBondContact O-N 3.5Å; L260-F262 VanDerWaalsContact C-N 3.34Å; L260-F262 PolarHBondContact O-N 3.02Å; F262-S264 PolarHBondContact O-N 2.8Å; F262-G265 PolarHBondContact O-N 3.42Å
263	M	55	Low	58	Low	114 Å²	114	80.2 Å²	80.2	56%	0.562	41%	0.413	S	S	*	.	H	α-helix	trans	-71.3	-12.4	-178.9	-67.7	-61.5	-65.7	0	0	113.9	Y259 G265	Y259-M263 HydrophobicContact CD1-CG 4.3Å; Y259-M263 HydrophobicContact CD2-CG 3.72Å; Y259-M263 HydrophobicContact CE1-CG 4.04Å; Y259-M263 HydrophobicContact CE2-CG 3.42Å; Y259-M263 VanDerWaalsContact CE2-CG 3.42Å; Y259-M263 HydrophobicContact CE2-SD 4.01Å; Y259-M263 HydrophobicContact CG-CG 4.15Å; Y259-M263 VanDerWaalsContact O-CB 3.3Å; Y259-M263 WeakPolarHBondContact O-CB 3.44Å; Y259-M263 VanDerWaalsContact O-CG 3.27Å; Y259-M263 WeakPolarHBondContact O-CG 3.42Å; Y259-M263 PolarHBondContact O-N 3.21Å; M263-G265 PolarHBondContact O-N 3.19Å
264	S	55.6	Low	56.4	Low	27 Å²	27	88.6 Å²	88.6	19%	0.189	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-9.1	165.2	-176.3	0	0	0	0	113.3	L260 F262 Q272 W273	L260-S264 PolarHBondContact O-N 3.36Å; F262-S264 PolarHBondContact O-N 2.8Å; S264-Q272 PolarHBondContact OG-O 3.2Å; S264-W273 VanDerWaalsContact CB-CD1 3.49Å
265	G	44.3	Very low	54.7	Low	40 Å²	40	92.8 Å²	92.8	41%	0.412	46%	0.463	S	S	.	.			trans	-102.4	55.9	-167.2	0	0	0	0	0	116.5	F262 M263 V267	F262-G265 PolarHBondContact O-N 3.42Å; M263-G265 PolarHBondContact O-N 3.19Å; G265-V267 PolarHBondContact O-N 3.4Å
266	E	37.8	Very low	53	Low	192 Å²	192	91.1 Å²	91.1	90%	0.897	46%	0.462	S	S	*	.	S	Bend	trans	-70.7	99.7	156.6	-82.4	-165.2	138.5	0	0	109.5
267	V	36.3	Very low	51.3	Low	141 Å²	141	97.2 Å²	97.2	86%	0.855	49%	0.489	S	S	*	.	S	Bend	trans	63.5	77.4	171.3	-163.8	0	0	0	0	115.6	G265 R269	G265-V267 PolarHBondContact O-N 3.4Å; V267-R269 PolarHBondContact O-N 2.82Å
268	G	40.7	Very low	49.2	Very low	80 Å²	80	101.5 Å²	101.5	83%	0.825	52%	0.516	S	S	*	.	S	Bend	trans	79.2	5.8	142.5	0	0	0	0	0	118.5
269	R	41.6	Very low	47.4	Very low	193 Å²	193	104.9 Å²	104.9	73%	0.728	54%	0.535	S	S	*	.			trans	-137.7	113.7	168.4	-66.4	-168.8	-176.7	-151.4	0.9	111.9	V267 T271	V267-R269 PolarHBondContact O-N 2.82Å; R269-T271 HydrophobicContact CB-CG2 4.02Å; R269-T271 PolarHBondContact O-N 3.15Å
270	I	48.2	Very low	45.8	Very low	95 Å²	95	108.2 Å²	108.2	49%	0.487	55%	0.554	S	S	.	*			trans	-79.8	59.6	171.2	-44.4	174.9	0	0	0	108.9	V223	V223-I270 HydrophobicContact CG2-CG2 4.34Å
271	T	45.1	Very low	44.1	Very low	81 Å²	81	115.4 Å²	115.4	50%	0.497	58%	0.584	S	S	.	*			trans	-109.7	-17.7	-172.8	47.8	0	0	0	0	114.4	R269	R269-T271 HydrophobicContact CB-CG2 4.02Å; R269-T271 PolarHBondContact O-N 3.15Å
272	Q	44.2	Very low	42.5	Very low	110 Å²	110	123.9 Å²	123.9	51%	0.514	62%	0.618	S	S	.	*			trans	-141	103.2	-177.8	-96.4	179.6	1	0	0	113	D222 S264 K274	D222-Q272 WeakPolarHBondContact OD1-CG 3.37Å; D222-Q272 PolarHBondContact OD1-NE2 2.94Å; S264-Q272 PolarHBondContact OG-O 3.2Å; Q272-K274 PolarHBondContact O-N 3.14Å
273	W	51.2	Low	41.4	Very low	17 Å²	17	120.2 Å²	120.2	6%	0.064	61%	0.611	C	S	.	*			trans	-77.4	104.9	156.3	-81.1	26.5	0	0	0	107.5	F205 V214 V216 G221 V223 L257 L260 S264 Y275	F205-W273 AromaticContact CD2-CZ3 3.84Å; F205-W273 HydrophobicContact CD2-CZ3 3.84Å; F205-W273 HydrophobicContact CE2-CE3 4.43Å; F205-W273 HydrophobicContact CE2-CZ3 4.02Å; F205-W273 HydrophobicContact CG-CZ3 4.37Å; V214-W273 HydrophobicContact CB-CH2 4.33Å; V214-W273 HydrophobicContact CB-CZ2 4.42Å; V214-W273 HydrophobicContact CG1-CH2 3.91Å; V214-W273 HydrophobicContact CG1-CZ2 3.72Å; V214-W273 HydrophobicContact CG2-CZ2 4.37Å; V216-W273 HydrophobicContact CG1-CD2 4.24Å; V216-W273 HydrophobicContact CG1-CE3 4.12Å; V216-W273 HydrophobicContact CG1-CG 4.42Å; G221-W273 WeakPolarHBondContact O-CB 3.4Å; G221-W273 PolarHBondContact O-N 2.7Å; G221-W273 VanDerWaalsContact O-O 3.13Å; V223-W273 HydrophobicContact CG2-CB 4.37Å; V223-W273 HydrophobicContact CG2-CD2 4.38Å; V223-W273 HydrophobicContact CG2-CG 3.77Å; L257-W273 HydrophobicContact CD1-CH2 4.01Å; L260-W273 HydrophobicContact CB-CH2 3.72Å; L260-W273 HydrophobicContact CB-CZ2 3.86Å; L260-W273 HydrophobicContact CB-CZ3 4.35Å; L260-W273 HydrophobicContact CD1-CH2 4.33Å; L260-W273 HydrophobicContact CD1-CZ3 4.44Å; S264-W273 VanDerWaalsContact CB-CD1 3.49Å; W273-Y275 PolarHBondContact O-N 2.83Å
274	K	41.8	Very low	40.7	Very low	182 Å²	182	124.4 Å²	124.4	79%	0.791	63%	0.626	S	S	*	*			trans	-73.5	64.1	170.3	-75	-177.3	177.5	171.3	0	110.9	Q272 P276	Q272-K274 PolarHBondContact O-N 3.14Å; K274-P276 WeakPolarHBondContact O-CD 3.48Å
275	Y	40.4	Very low	40.3	Very low	101 Å²	101	129 Å²	129	40%	0.396	65%	0.649	S	S	.	*			trans	-83.9	109.8	173.6	-161.9	-87.3	0	0	0	108.8	W273 F277 F287	W273-Y275 PolarHBondContact O-N 2.83Å; Y275-F277 PolarHBondContact O-N 3.34Å; Y275-F287 HydrophobicContact CE2-CE2 4.05Å
276	P	36.3	Very low	40.9	Very low	78 Å²	78	134.3 Å²	134.3	51%	0.506	66%	0.66	S	S	.	*			trans	-76.4	119.4	-175.5	30.1	-32.8	0	0	0	110.3	K274 P278	K274-P276 WeakPolarHBondContact O-CD 3.48Å; P276-P278 WeakPolarHBondContact O-CD 3.5Å; P276-P278 VanDerWaalsContact O-CG 3.29Å; P276-P278 WeakPolarHBondContact O-CG 3.49Å
277	F	37.1	Very low	42	Very low	129 Å²	129	128.5 Å²	128.5	57%	0.566	63%	0.632	S	S	*	*			trans	-71	104.5	156.4	-73.5	-80.7	0	0	0	108.1	S218 Y275 K279	S218-F277 VanDerWaalsContact O-CE2 3.26Å; S218-F277 WeakPolarHBondContact O-CE2 3.49Å; S218-F277 WeakPolarHBondContact O-CZ 3.48Å; Y275-F277 PolarHBondContact O-N 3.34Å; F277-K279 PolarHBondContact O-N 2.96Å
278	P	34.2	Very low	43.1	Very low	89 Å²	89	126.3 Å²	126.3	58%	0.578	61%	0.614	S	S	*	*			trans	-83.4	98.2	-162.1	-9.4	28.1	0	0	0	111.6	P276 E280	P276-P278 WeakPolarHBondContact O-CD 3.5Å; P276-P278 VanDerWaalsContact O-CG 3.29Å; P276-P278 WeakPolarHBondContact O-CG 3.49Å; P278-E280 PolarHBondContact O-N 3.18Å
279	K	36.8	Very low	44.2	Very low	208 Å²	208	126.9 Å²	126.9	90%	0.904	61%	0.61	S	S	*	*	S	Bend	trans	-69.4	81.3	146.4	-74.4	-172.2	177	-178.4	0	108.2	F277	F277-K279 PolarHBondContact O-N 2.96Å
280	E	35.8	Very low	45.3	Very low	165 Å²	165	119.9 Å²	119.9	77%	0.771	59%	0.589	S	S	*	*	S	Bend	trans	42.7	96	169.2	-61.1	-169.7	160.3	0	0	118.2	P278	P278-E280 PolarHBondContact O-N 3.18Å
281	K	33.3	Very low	46.3	Very low	190 Å²	190	117.8 Å²	117.8	83%	0.826	58%	0.579	S	S	*	*	S	Bend		177.5	110	119.7	-93.8	149.7	-168.9	170.7	0	112.3
282	K	36.3	Very low	47.7	Very low	203 Å²	203	116.4 Å²	116.4	88%	0.883	57%	0.565	S	S	*	*			trans	18.5	88	163.7	-66	-176.3	178.2	178.4	0	117
283	P	37.4	Very low	49.1	Very low	89 Å²	89	114.2 Å²	114.2	58%	0.578	56%	0.559	S	S	*	*			trans	-63.1	151.4	162.1	28.9	-34.6	0	0	0	111.1
284	K	39.8	Very low	50.1	Low	203 Å²	203	113.7 Å²	113.7	88%	0.883	56%	0.559	S	S	*	*	S	Bend	trans	-94.2	-7.6	-174.1	-96.1	-176.3	175.7	178.5	0	115.8
285	N	47.4	Very low	51.5	Low	124 Å²	124	108.3 Å²	108.3	66%	0.663	54%	0.535	S	S	*	.			trans	-100.9	123.1	177.1	-58.6	2.7	0	0	0	107.5
286	K	56.3	Low	52.9	Low	151 Å²	151	107.3 Å²	107.3	66%	0.657	53%	0.531	S	S	*	.			trans	-113.4	92.9	-169.3	-168.7	-177.3	-178.5	-172.6	0	109.8	M288 D309	K286-M288 PolarHBondContact O-N 3.26Å; K286-D309 PolarHBondContact N-OD2 3.27Å
287	F	62.5	Low	54.2	Low	70 Å²	70	107.6 Å²	107.6	31%	0.307	54%	0.535	S	S	.	.			trans	-57.3	134.9	169.2	-64.8	-72.7	0	0	0	110.4	T256 L260 Y275 V307 H308	T256-F287 HydrophobicContact CG2-CD1 4.42Å; T256-F287 HydrophobicContact CG2-CE1 4.05Å; L260-F287 HydrophobicContact CD1-CE1 3.93Å; L260-F287 HydrophobicContact CD1-CZ 3.93Å; L260-F287 HydrophobicContact CD2-CE1 4.2Å; L260-F287 HydrophobicContact CD2-CZ 3.86Å; L260-F287 HydrophobicContact CG-CZ 4.48Å; Y275-F287 HydrophobicContact CE2-CE2 4.05Å; F287-V307 CarbonylContact C-O 3.51Å; F287-V307 VanDerWaalsContact CA-O 3.26Å; F287-V307 WeakPolarHBondContact CA-O 3.16Å; F287-H308 HydrophobicContact CD1-CB 4.14Å; F287-H308 HydrophobicContact CE1-CB 4.03Å
288	M	58.7	Low	55	Low	95 Å²	95	105.1 Å²	105.1	47%	0.468	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	135.7	176.2	-64.5	176	53.7	0	0	109.2	K286 V307	K286-M288 PolarHBondContact O-N 3.26Å; M288-V307 HydrophobicContact CB-CG2 3.93Å; M288-V307 PolarHBondContact N-O 3.27Å; M288-V307 WeakPolarHBondContact O-CG2 3.39Å; M288-V307 PolarHBondContact O-N 2.84Å
289	A	63.5	Low	56.4	Low	91 Å²	91	101.4 Å²	101.4	75%	0.752	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	130.9	169.3	0	0	0	0	0	109.7	L306	A289-L306 HydrophobicContact CB-CD2 4.31Å
290	T	65.9	Low	58.1	Low	46 Å²	46	94.9 Å²	94.9	28%	0.282	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	179.7	178.1	-165.5	0	0	0	0	110.2	S305 V307	T290-S305 PolarHBondContact N-O 3.07Å; T290-S305 PolarHBondContact O-N 2.7Å; T290-V307 HydrophobicContact CG2-CG1 3.81Å; T290-V307 HydrophobicContact CG2-CG2 4.13Å
291	L	67.9	Low	60.2	Low	52 Å²	52	87.3 Å²	87.3	27%	0.272	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	118.1	176.9	-174.9	62.1	0	0	0	108.5	Y90 L100 A302	Y90-L291 HydrophobicContact CD1-CD1 4.44Å; Y90-L291 HydrophobicContact CD1-CD2 3.64Å; Y90-L291 HydrophobicContact CE1-CD1 3.76Å; Y90-L291 HydrophobicContact CE1-CD2 3.66Å; Y90-L291 HydrophobicContact CE1-CG 4.4Å; Y90-L291 HydrophobicContact CE2-CD1 4.22Å; Y90-L291 HydrophobicContact CG-CD2 4.33Å; L100-L291 HydrophobicContact CD2-CD2 3.61Å; L100-L291 HydrophobicContact CD2-CG 4.45Å; L100-L291 HydrophobicContact CG-CD2 4.03Å; L291-A302 HydrophobicContact CD1-CB 4.22Å; L291-A302 HydrophobicContact CD2-CB 4.4Å; L291-A302 HydrophobicContact CG-CB 4.35Å
292	Y	74.4	Confident	62.3	Low	52 Å²	52	78.3 Å²	78.3	20%	0.204	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	129.5	172.6	176	-92	0	0	0	108.9	N208 Y301 A302 S303	N208-Y292 HydrophobicContact CB-CD1 3.56Å; N208-Y292 HydrophobicContact CB-CD2 4.04Å; N208-Y292 HydrophobicContact CB-CE1 4.05Å; N208-Y292 HydrophobicContact CB-CE2 4.5Å; N208-Y292 HydrophobicContact CB-CG 3.55Å; N208-Y292 WeakPolarHBondContact O-CE1 3.32Å; Y292-Y301 HydrophobicContact CD1-CE2 4.18Å; Y292-Y301 HydrophobicContact CE1-CE2 4.01Å; Y292-Y301 AromaticContact CE1-CZ 3.95Å; Y292-A302 CarbonylContact O-C 3.37Å; Y292-A302 VanDerWaalsContact O-CA 3.32Å; Y292-A302 WeakPolarHBondContact O-CA 3.42Å; Y292-S303 WeakPolarHBondContact CB-O 3.46Å; Y292-S303 PolarHBondContact N-O 3.17Å; Y292-S303 PolarHBondContact O-N 2.87Å
293	V	74.9	Confident	64.4	Low	63 Å²	63	68.8 Å²	68.8	38%	0.382	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	121.7	170.6	177.7	0	0	0	0	107.8	L81 L100 Y301 A302	L81-V293 HydrophobicContact CD1-CG1 3.92Å; L81-V293 HydrophobicContact CD1-CG2 4.29Å; L100-V293 HydrophobicContact CD2-CG2 3.48Å; L100-V293 VanDerWaalsContact CD2-CG2 3.48Å; V293-Y301 WeakPolarHBondContact CA-O 3.47Å; V293-A302 HydrophobicContact CG2-CB 4.28Å
294	G	70.8	Confident	66.4	Low	6 Å²	6	67.4 Å²	67.4	6%	0.062	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	164.5	-177.9	0	0	0	0	0	112.4	L300 Y301	G294-L300 WeakPolarHBondContact O-CA 3.42Å; G294-Y301 PolarHBondContact N-O 3.23Å; G294-Y301 WeakPolarHBondContact O-CD1 3.29Å; G294-Y301 PolarHBondContact O-N 2.82Å
295	K	71.6	Confident	68.2	Low	69 Å²	69	58 Å²	58	30%	0.3	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	137.8	164.6	-166.5	-169.8	178.5	-154	0	108.5	S297 S299 L300 E371 T372	K295-S297 WeakPolarHBondContact CE-O 3.41Å; K295-S297 PolarHBondContact NZ-O 3.25Å; K295-S299 CarbonylContact C-O 3.57Å; K295-S299 WeakPolarHBondContact CA-O 3.34Å; K295-S299 WeakPolarHBondContact CG-O 3.31Å; K295-L300 HydrophobicContact CB-CD2 3.81Å; K295-L300 HydrophobicContact CG-CD2 3.91Å; K295-E371 WeakPolarHBondContact CD-O 3.41Å; K295-T372 HydrophobicContact CD-CG2 4.18Å
296	Y	68.9	Low	69.5	Low	80 Å²	80	54.7 Å²	54.7	31%	0.314	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	122.8	168.7	-177.3	-92.7	0	0	0	109.7	L45 D46 T298 S299	L45-Y296 VanDerWaalsContact CD2-CB 3.49Å; L45-Y296 HydrophobicContact CD2-CD1 4.37Å; L45-Y296 HydrophobicContact CD2-CD2 4.21Å; L45-Y296 HydrophobicContact CD2-CG 3.73Å; L45-Y296 HydrophobicContact CG-CD1 4.09Å; L45-Y296 HydrophobicContact CG-CD2 4.45Å; L45-Y296 HydrophobicContact CG-CG 3.9Å; D46-Y296 HydrophobicContact CB-CE1 3.93Å; D46-Y296 HydrophobicContact CB-CE2 4.18Å; D46-Y296 VanDerWaalsContact CB-CZ 3.47Å; D46-Y296 WeakPolarHBondContact CB-OH 3.2Å; Y296-T298 PolarHBondContact O-N 3.28Å; Y296-S299 PolarHBondContact N-O 3.03Å; Y296-S299 PolarHBondContact O-N 3.5Å
297	S	65.6	Low	69.9	Low	85 Å²	85	47.7 Å²	47.7	59%	0.594	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	-101.1	-172.5	-177.8	0	0	0	0	111.9	K295	K295-S297 WeakPolarHBondContact CE-O 3.41Å; K295-S297 PolarHBondContact NZ-O 3.25Å
298	T	53.2	Low	70.1	Confident	76 Å²	76	45.8 Å²	45.8	47%	0.466	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-14.5	-178.5	41.6	0	0	0	0	114.5	T73 Y296	T73-T298 VanDerWaalsContact CG2-CB 3.49Å; T73-T298 HydrophobicContact CG2-CG2 3.54Å; Y296-T298 PolarHBondContact O-N 3.28Å
299	S	62.5	Low	69.9	Low	12 Å²	12	46.2 Å²	46.2	8%	0.084	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	150.8	-169.3	-59	0	0	0	0	112.5	V71 K295 Y296	V71-S299 PolarHBondContact N-OG 2.88Å; V71-S299 PolarHBondContact O-OG 3.08Å; K295-S299 CarbonylContact C-O 3.57Å; K295-S299 WeakPolarHBondContact CA-O 3.34Å; K295-S299 WeakPolarHBondContact CG-O 3.31Å; Y296-S299 PolarHBondContact N-O 3.03Å; Y296-S299 PolarHBondContact O-N 3.5Å
300	L	73.4	Confident	69.4	Low	71 Å²	71	44.7 Å²	44.7	37%	0.372	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	147.3	169.6	-63.9	170	0	0	0	110.4	L81 G294 K295	L81-L300 HydrophobicContact CD2-CB 3.37Å; L81-L300 HydrophobicContact CD2-CD1 4.13Å; L81-L300 HydrophobicContact CD2-CG 4.4Å; G294-L300 WeakPolarHBondContact O-CA 3.42Å; K295-L300 HydrophobicContact CB-CD2 3.81Å; K295-L300 HydrophobicContact CG-CD2 3.91Å
301	Y	79.4	Confident	68.8	Low	6 Å²	6	44.2 Å²	44.2	2%	0.024	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	158.7	178.9	68.2	-84.3	0	0	0	111.4	L45 P82 P84 N208 P232 Y292 V293 G294	L45-Y301 HydrophobicContact CD2-CD1 3.9Å; L45-Y301 HydrophobicContact CD2-CE1 3.63Å; L45-Y301 HydrophobicContact CD2-CE2 4.27Å; L45-Y301 HydrophobicContact CD2-CG 4.32Å; P82-Y301 VanDerWaalsContact O-CA 3.31Å; P82-Y301 WeakPolarHBondContact O-CA 3.3Å; P82-Y301 WeakPolarHBondContact O-CB 3.43Å; P84-Y301 HydrophobicContact CG-CD2 4.04Å; N208-Y301 PolarHBondContact O-OH 2.85Å; P232-Y301 WeakPolarHBondContact CG-OH 3.4Å; Y292-Y301 HydrophobicContact CD1-CE2 4.18Å; Y292-Y301 HydrophobicContact CE1-CE2 4.01Å; Y292-Y301 AromaticContact CE1-CZ 3.95Å; V293-Y301 WeakPolarHBondContact CA-O 3.47Å; G294-Y301 PolarHBondContact N-O 3.23Å; G294-Y301 WeakPolarHBondContact O-CD1 3.29Å; G294-Y301 PolarHBondContact O-N 2.82Å
302	A	77.6	Confident	67.8	Low	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	131.5	178.1	0	0	0	0	0	110.7	L81 P82 D83 Y90 L291 Y292 V293	L81-A302 HydrophobicContact CB-CB 3.86Å; L81-A302 HydrophobicContact CD1-CB 4.22Å; P82-A302 PolarHBondContact O-N 2.91Å; D83-A302 WeakPolarHBondContact CA-O 3.48Å; D83-A302 WeakPolarHBondContact CB-O 3.4Å; D83-A302 VanDerWaalsContact CG-O 3.32Å; Y90-A302 HydrophobicContact CD2-CB 3.6Å; Y90-A302 HydrophobicContact CE2-CB 3.98Å; Y90-A302 WeakPolarHBondContact CE2-O 3.27Å; Y90-A302 HydrophobicContact CG-CB 4.08Å; L291-A302 HydrophobicContact CD1-CB 4.22Å; L291-A302 HydrophobicContact CD2-CB 4.4Å; L291-A302 HydrophobicContact CG-CB 4.35Å; Y292-A302 CarbonylContact O-C 3.37Å; Y292-A302 VanDerWaalsContact O-CA 3.32Å; Y292-A302 WeakPolarHBondContact O-CA 3.42Å; V293-A302 HydrophobicContact CG2-CB 4.28Å
303	S	79.8	Confident	66.6	Low	4 Å²	4	45.6 Å²	45.6	3%	0.028	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	129.1	-167.6	175.6	0	0	0	0	111	N85 N208 N251 Y292	N85-S303 PolarHBondContact ND2-OG 3.17Å; N85-S303 VanDerWaalsContact ND2-OG 3.1Å; N208-S303 PolarHBondContact ND2-OG 2.92Å; N251-S303 PolarHBondContact ND2-OG 3.05Å; Y292-S303 WeakPolarHBondContact CB-O 3.46Å; Y292-S303 PolarHBondContact N-O 3.17Å; Y292-S303 PolarHBondContact O-N 2.87Å
304	P	79.2	Confident	65.1	Low	59 Å²	59	44.1 Å²	44.1	38%	0.383	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.6	144.1	176.9	-29.4	34.5	0	0	0	112.4	D83 N208 N251	D83-P304 WeakPolarHBondContact OD2-CD 3.35Å; N208-P304 PolarHBondContact ND2-O 3.47Å; N251-P304 WeakPolarHBondContact CB-O 3.34Å
305	S	78.3	Confident	63.6	Low	6 Å²	6	46.5 Å²	46.5	4%	0.042	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	144.3	-174.4	-166.9	0	0	0	0	112	N208 A253 T290	N208-S305 WeakPolarHBondContact OD1-CB 3.33Å; N208-S305 PolarHBondContact OD1-OG 3.21Å; A253-S305 PolarHBondContact N-OG 2.77Å; T290-S305 PolarHBondContact N-O 3.07Å; T290-S305 PolarHBondContact O-N 2.7Å
306	L	74.4	Confident	61.9	Low	54 Å²	54	55.5 Å²	55.5	28%	0.283	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	133.1	167.5	-62.4	-178.3	0	0	0	111.3	T250 N251 V252 A253 A289	T250-L306 HydrophobicContact CG2-CD1 3.61Å; T250-L306 HydrophobicContact CG2-CG 4.4Å; N251-L306 PolarHBondContact O-N 3.21Å; V252-L306 WeakPolarHBondContact CG1-O 3.38Å; V252-L306 HydrophobicContact CG2-CB 4.47Å; A253-L306 PolarHBondContact N-O 3.09Å; A289-L306 HydrophobicContact CB-CD2 4.31Å
307	V	65.4	Low	60.3	Low	5 Å²	5	55.8 Å²	55.8	3%	0.03	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	151.3	171.5	-67.8	0	0	0	0	111.3	A253 T256 F287 M288 T290 V311 V313	A253-V307 HydrophobicContact CB-CG1 3.56Å; T256-V307 WeakPolarHBondContact OG1-CA 3.49Å; F287-V307 CarbonylContact C-O 3.51Å; F287-V307 VanDerWaalsContact CA-O 3.26Å; F287-V307 WeakPolarHBondContact CA-O 3.16Å; M288-V307 HydrophobicContact CB-CG2 3.93Å; M288-V307 PolarHBondContact N-O 3.27Å; M288-V307 WeakPolarHBondContact O-CG2 3.39Å; M288-V307 PolarHBondContact O-N 2.84Å; T290-V307 HydrophobicContact CG2-CG1 3.81Å; T290-V307 HydrophobicContact CG2-CG2 4.13Å; V307-V311 HydrophobicContact CB-CB 4.01Å; V307-V311 HydrophobicContact CB-CG1 4.49Å; V307-V311 HydrophobicContact CB-CG2 4.1Å; V307-V311 HydrophobicContact CG1-CB 4.16Å; V307-V311 HydrophobicContact CG1-CG1 4.09Å; V307-V311 HydrophobicContact CG1-CG2 4.29Å; V307-V313 HydrophobicContact CG2-CG2 3.93Å
308	H	65.6	Low	58.8	Low	30 Å²	30	54.7 Å²	54.7	14%	0.139	33%	0.328	C	S	.	.			trans	-88.6	162.6	169.6	71.8	-76	0	0	0	111.5	T256 Y259 F287 G310 V311	T256-H308 HydrophobicContact CG2-CB 4.07Å; T256-H308 PolarHBondContact OG1-N 2.88Å; T256-H308 PolarHBondContact OG1-ND1 2.75Å; Y259-H308 AromaticContact CD1-CD2 3.86Å; Y259-H308 AromaticContact CD1-CE1 3.84Å; Y259-H308 AromaticContact CD1-ND1 3.99Å; Y259-H308 AromaticContact CD1-NE2 3.77Å; Y259-H308 AromaticContact CE1-CD2 3.74Å; Y259-H308 AromaticContact CE1-NE2 3.94Å; Y259-H308 AromaticContact CG-CE1 3.8Å; Y259-H308 AromaticContact CG-NE2 3.83Å; F287-H308 HydrophobicContact CD1-CB 4.14Å; F287-H308 HydrophobicContact CE1-CB 4.03Å; H308-G310 PolarHBondContact CD2-N 3.04Å; H308-G310 VanDerWaalsContact CD2-N 3.31Å; H308-G310 PolarHBondContact O-N 3.05Å; H308-V311 VanDerWaalsContact CE1-CG2 3.49Å; H308-V311 WeakPolarHBondContact CE1-CG2 3.39Å; H308-V311 WeakPolarHBondContact ND1-CG2 3.39Å; H308-V311 PolarHBondContact O-N 3.26Å
309	D	55.9	Low	58	Low	103 Å²	103	56.2 Å²	56.2	55%	0.551	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-9.6	-178.2	-63	-81	0	0	0	115.6	K286	K286-D309 PolarHBondContact N-OD2 3.27Å
310	G	52	Low	56.5	Low	59 Å²	59	60.5 Å²	60.5	61%	0.608	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-5.7	178.4	0	0	0	0	0	115.4	H308	H308-G310 PolarHBondContact CD2-N 3.04Å; H308-G310 VanDerWaalsContact CD2-N 3.31Å; H308-G310 PolarHBondContact O-N 3.05Å
311	V	52.9	Low	54.4	Low	37 Å²	37	62 Å²	62	22%	0.224	37%	0.369	C	S	.	.	S	Bend	trans	-90.2	129.9	175	-172.5	0	0	0	0	110.1	T256 V307 H308	T256-V311 VanDerWaalsContact OG1-CG2 3.24Å; T256-V311 WeakPolarHBondContact OG1-CG2 3.23Å; V307-V311 HydrophobicContact CB-CB 4.01Å; V307-V311 HydrophobicContact CB-CG1 4.49Å; V307-V311 HydrophobicContact CB-CG2 4.1Å; V307-V311 HydrophobicContact CG1-CB 4.16Å; V307-V311 HydrophobicContact CG1-CG1 4.09Å; V307-V311 HydrophobicContact CG1-CG2 4.29Å; H308-V311 VanDerWaalsContact CE1-CG2 3.49Å; H308-V311 WeakPolarHBondContact CE1-CG2 3.39Å; H308-V311 WeakPolarHBondContact ND1-CG2 3.39Å; H308-V311 PolarHBondContact O-N 3.26Å
312	T	48.4	Very low	52	Low	78 Å²	78	68.3 Å²	68.3	48%	0.479	40%	0.402	S	S	.	.			trans	-69.4	130.5	172.2	-41.2	0	0	0	0	110.4	L365	T312-L365 VanDerWaalsContact CG2-C 3.45Å
313	V	47.8	Very low	49.8	Very low	55 Å²	55	76.8 Å²	76.8	33%	0.333	45%	0.447	S	S	.	.			trans	-126.4	139.8	178.3	-175.4	0	0	0	0	109	V307	V307-V313 HydrophobicContact CG2-CG2 3.93Å
314	V	44	Very low	47.5	Very low	31 Å²	31	84.5 Å²	84.5	19%	0.188	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-72	136.8	-178.2	168.6	0	0	0	0	111.5	F320 L366 I367	V314-F320 HydrophobicContact CG1-CZ 4.03Å; V314-F320 HydrophobicContact CG2-CE1 4.26Å; V314-F320 HydrophobicContact CG2-CZ 3.85Å; V314-L366 VanDerWaalsContact CG2-O 3.27Å; V314-L366 WeakPolarHBondContact CG2-O 3.33Å; V314-I367 HydrophobicContact CB-CD1 4.15Å; V314-I367 HydrophobicContact CB-CG1 4.22Å; V314-I367 HydrophobicContact CG1-CD1 4.27Å; V314-I367 HydrophobicContact CG2-CB 4.16Å; V314-I367 HydrophobicContact CG2-CD1 4.12Å; V314-I367 HydrophobicContact CG2-CG1 3.78Å
315	P	40	Very low	45.3	Very low	56 Å²	56	84.9 Å²	84.9	36%	0.364	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-61.3	148	177.1	-22.7	33.5	0	0	0	113.2	G317	P315-G317 PolarHBondContact O-N 3.13Å
316	R	34.7	Very low	42.9	Very low	258 Å²	258	90.7 Å²	90.7	97%	0.974	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	126.2	169.3	-70.5	-179.1	174	-179.5	-3.5	109.5
317	G	36.4	Very low	40.8	Very low	86 Å²	86	95.4 Å²	95.4	89%	0.887	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	90.6	7.6	173.6	0	0	0	0	0	116.1	P315	P315-G317 PolarHBondContact O-N 3.13Å
318	S	34.8	Very low	39.1	Very low	63 Å²	63	101.1 Å²	101.1	44%	0.441	60%	0.6	S	S	.	*			trans	-90.6	112	174.4	-61.4	0	0	0	0	112.1
319	T	35.1	Very low	37.5	Very low	108 Å²	108	108.1 Å²	108.1	66%	0.663	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-66.7	142.2	152.7	48.5	0	0	0	0	109
320	F	31.5	Very low	36.2	Very low	101 Å²	101	112.7 Å²	112.7	44%	0.443	65%	0.651	S	S	.	*	P	Polyproline II helix	trans	-69.4	133.6	-178.8	-76.9	-83.5	0	0	0	112.1	V314 L365 I367	V314-F320 HydrophobicContact CG1-CZ 4.03Å; V314-F320 HydrophobicContact CG2-CE1 4.26Å; V314-F320 HydrophobicContact CG2-CZ 3.85Å; F320-L365 HydrophobicContact CD1-CD1 4.47Å; F320-L365 HydrophobicContact CD1-CD2 4.22Å; F320-L365 HydrophobicContact CE1-CD1 4.14Å; F320-L365 HydrophobicContact CE1-CD2 4.13Å; F320-L365 HydrophobicContact CE1-CG 4.15Å; F320-I367 HydrophobicContact CE2-CB 4.36Å; F320-I367 HydrophobicContact CE2-CD1 4.03Å; F320-I367 HydrophobicContact CZ-CB 3.78Å; F320-I367 HydrophobicContact CZ-CD1 3.94Å; F320-I367 HydrophobicContact CZ-CG1 4.25Å
321	P	28.6	Very low	35.1	Very low	102 Å²	102	115.8 Å²	115.8	66%	0.662	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-65.2	144.4	154.1	31.3	-32.4	0	0	0	108.6
322	L	28.9	Very low	34	Very low	139 Å²	139	122.4 Å²	122.4	73%	0.728	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-62.6	146.7	-179.7	-69.6	164.8	0	0	0	111	E324	L322-E324 HydrophobicContact CB-CB 4.37Å; L322-E324 HydrophobicContact CB-CG 4.35Å; L322-E324 PolarHBondContact O-N 2.62Å; L322-E324 VanDerWaalsContact O-N 3.16Å
323	L	32.4	Very low	33.1	Very low	178 Å²	178	126.6 Å²	126.6	93%	0.932	70%	0.701	S	S	*	*			trans	-85.7	34.1	173	-139	164.6	0	0	0	110.8
324	E	31.5	Very low	32.1	Very low	166 Å²	166	129.9 Å²	129.9	78%	0.776	72%	0.717	S	S	*	*			trans	-85.3	116.1	172.5	-76.5	-177.6	166.5	0	0	109.7	L322	L322-E324 HydrophobicContact CB-CB 4.37Å; L322-E324 HydrophobicContact CB-CG 4.35Å; L322-E324 PolarHBondContact O-N 2.62Å; L322-E324 VanDerWaalsContact O-N 3.16Å
325	G	31.7	Very low	31.4	Very low	67 Å²	67	136.1 Å²	136.1	69%	0.691	74%	0.741	S	S	*	*			trans	-158.4	137.7	153	0	0	0	0	0	108.3
326	P	29.2	Very low	30.7	Very low	129 Å²	129	142.5 Å²	142.5	84%	0.838	77%	0.766	S	S	*	*	S	Bend	cis	-105.3	-174.7	3.4	40.7	-32.4	0	0	0	113.4
327	D	30.8	Very low	30.6	Very low	153 Å²	153	136 Å²	136	82%	0.818	76%	0.759	S	S	*	*			trans	-54.6	140.5	160.6	-107.9	-52.9	0	0	0	111.4	Q329	D327-Q329 PolarHBondContact O-N 3.11Å
328	S	29.8	Very low	30	Very low	124 Å²	124	138.9 Å²	138.9	87%	0.867	76%	0.759	S	S	*	*	S	Bend	trans	-86	51.3	-175.3	50.3	0	0	0	0	113.8
329	Q	30.3	Very low	29.8	Very low	178 Å²	178	143.3 Å²	143.3	83%	0.832	78%	0.776	S	S	*	*			trans	-121.9	68.7	166.1	-71.7	-162.4	3.1	0	0	112.2	D327	D327-Q329 PolarHBondContact O-N 3.11Å
330	E	28.4	Very low	29.3	Very low	198 Å²	198	144.1 Å²	144.1	93%	0.925	78%	0.781	S	S	*	*			trans	-166.8	131.9	137.7	-109.2	162.9	-153.3	0	0	110.1
331	T	30.6	Very low	29	Very low	124 Å²	124	145.3 Å²	145.3	76%	0.761	80%	0.799	S	S	*	*			trans	-95.6	139	173.3	45.1	0	0	0	0	109.7
332	E	28.1	Very low	28.8	Very low	177 Å²	177	145.7 Å²	145.7	83%	0.827	80%	0.804	S	S	*	*				-178.5	160.2	108.9	-97.7	178.7	-171.3	0	0	114.9
333	E	29.7	Very low	29	Very low	165 Å²	165	146 Å²	146	77%	0.771	81%	0.812	S	S	*	*			trans	-8.1	137.9	168.9	-46.8	-167.4	144.9	0	0	123.6
334	D	28.2	Very low	28.6	Very low	125 Å²	125	142.1 Å²	142.1	67%	0.668	80%	0.8	S	S	*	*				90.9	136	127.6	-107.8	-5.1	0	0	0	125.7
335	K	28.2	Very low	28.3	Very low	162 Å²	162	140.9 Å²	140.9	70%	0.704	80%	0.803	S	S	*	*			trans	78.2	107.8	146.2	-72	175.1	-178.3	101.7	0	123.7
336	E	25.3	Very low	28	Very low	190 Å²	190	147.3 Å²	147.3	89%	0.888	81%	0.812	S	S	*	*			trans	72.4	152.3	130.4	-92.7	-177.5	141.8	0	0	122.8
337	C	32.3	Very low	27.8	Very low	122 Å²	122	150.9 Å²	150.9	82%	0.824	82%	0.815	S	S	*	*			trans	-95.6	140.3	-166	-53.8	0	0	0	0	114
338	V	24.1	Very low	27.6	Very low	145 Å²	145	151.4 Å²	151.4	88%	0.879	82%	0.818	S	S	*	*			trans	-141.5	143.1	144.5	178.2	0	0	0	0	110.2
339	I	31.1	Very low	27.6	Very low	156 Å²	156	150.9 Å²	150.9	80%	0.8	82%	0.821	S	S	*	*			trans	-88.2	117.9	-179.4	-60.6	160.7	0	0	0	110.9
340	T	23.8	Very low	27.6	Very low	125 Å²	125	145.8 Å²	145.8	77%	0.767	82%	0.816	S	S	*	*			trans	-175.3	136.8	141.3	11.1	0	0	0	0	112.3	S342	T340-S342 PolarHBondContact O-N 3.02Å
341	P	25.8	Very low	27.9	Very low	127 Å²	127	144.8 Å²	144.8	83%	0.825	82%	0.816	S	S	*	*			trans	-83.7	111.9	172.7	31.9	-31.5	0	0	0	111.2
342	S	24.1	Very low	28	Very low	109 Å²	109	150.4 Å²	150.4	76%	0.762	82%	0.823	S	S	*	*			trans	-102.4	117.1	174.7	-171.9	0	0	0	0	111.3	T340 S344	T340-S342 PolarHBondContact O-N 3.02Å; S342-S344 PolarHBondContact O-N 3.37Å
343	T	33.8	Very low	28	Very low	145 Å²	145	151.1 Å²	151.1	89%	0.89	83%	0.827	S	S	*	*			trans	-85.2	93.2	-178.4	42.2	0	0	0	0	112.2
344	S	23.8	Very low	28	Very low	98 Å²	98	153.8 Å²	153.8	69%	0.685	83%	0.83	S	S	*	*			trans	-150.4	116.1	166	66.1	0	0	0	0	114.4	S342	S342-S344 PolarHBondContact O-N 3.37Å
345	V	25.5	Very low	28.1	Very low	139 Å²	139	154.3 Å²	154.3	84%	0.842	83%	0.833	S	S	*	*			trans	-126.7	127.2	158.8	179.2	0	0	0	0	106.9
346	K	24.3	Very low	28.2	Very low	202 Å²	202	156.9 Å²	156.9	88%	0.878	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-88.2	127.8	-179.2	-70.3	177.3	179.4	172.6	0	110.2
347	F	25.6	Very low	28.4	Very low	204 Å²	204	154.3 Å²	154.3	90%	0.895	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-74.9	138.5	167.8	-89.2	-98.6	0	0	0	110.9
348	N	26.2	Very low	28.3	Very low	165 Å²	165	156 Å²	156	88%	0.882	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-76.9	137.7	169.2	-105.2	-19.2	0	0	0	111.1	G350	N348-G350 PolarHBondContact O-N 2.87Å
349	A	30.3	Very low	28.6	Very low	112 Å²	112	158.4 Å²	158.4	93%	0.926	83%	0.829	S	S	*	*	S	Bend	trans	-90.8	81.6	-170.9	0	0	0	0	0	112.5
350	G	30.6	Very low	28.4	Very low	71 Å²	71	158.4 Å²	158.4	73%	0.732	83%	0.827	S	S	*	*			trans	-127	-13.5	175.8	0	0	0	0	0	116.4	N348	N348-G350 PolarHBondContact O-N 2.87Å
351	L	35.1	Very low	28.5	Very low	178 Å²	178	163.4 Å²	163.4	93%	0.932	83%	0.832	S	S	*	*			trans	-116.2	57.7	-171.3	-83.5	161.3	0	0	0	112.5
352	R	32.1	Very low	28.6	Very low	242 Å²	242	164 Å²	164	91%	0.913	83%	0.828	S	S	*	*			trans	-142.2	55.7	179.4	-93.8	-162.2	175.8	-169.6	1.5	114.6
353	E	29	Very low	28.8	Very low	192 Å²	192	168.5 Å²	168.5	90%	0.897	83%	0.83	S	S	*	*			trans	-133.5	136.9	153.6	-138.6	110.9	-124.6	0	0	111.8
354	R	29.5	Very low	28.6	Very low	220 Å²	220	168.8 Å²	168.8	83%	0.83	83%	0.825	S	S	*	*			trans	-69	151.6	-171.3	-68.9	160	170.2	142.2	-7.2	111
355	N	29.9	Very low	28.6	Very low	137 Å²	137	168 Å²	168	73%	0.733	81%	0.813	S	S	*	*			cis	-155.6	166.3	25.4	-80.9	-61.4	0	0	0	110.5
356	R	29.7	Very low	28.8	Very low	215 Å²	215	166.6 Å²	166.6	81%	0.811	80%	0.8	S	S	*	*			cis	-174.1	149.6	-35	-150.8	-176.6	-176.5	-175.5	0.1	109.3
357	I	30.7	Very low	29	Very low	137 Å²	137	162.3 Å²	162.3	70%	0.703	79%	0.785	S	S	*	*			trans	90.7	135.6	163.1	-55.2	167.9	0	0	0	116.9
358	N	28.5	Very low	29.3	Very low	156 Å²	156	155.1 Å²	155.1	83%	0.834	77%	0.769	S	S	*	*	S	Bend	trans	78.5	3.8	164.1	-73.2	1.1	0	0	0	123.2
359	F	30.5	Very low	29.5	Very low	197 Å²	197	154.5 Å²	154.5	86%	0.864	76%	0.76	S	S	*	*	S	Bend	trans	-114.2	158.7	155.5	-114.8	-109.3	0	0	0	111.4
360	M	28.1	Very low	29.6	Very low	156 Å²	156	155.2 Å²	155.2	77%	0.768	74%	0.744	S	S	*	*			trans	65.3	80.7	-179.8	-55	-59.5	-82.5	0	0	116.5
361	R	25.4	Very low	29.3	Very low	230 Å²	230	158.5 Å²	158.5	87%	0.868	74%	0.741	S	S	*	*			trans	-140.5	143.2	149.3	-121.7	179.9	-179.3	-171.1	-4.6	110.3
362	N	27.5	Very low	29	Very low	140 Å²	140	155 Å²	155	75%	0.749	73%	0.726	S	S	*	*			trans	79.9	54.9	171	-49.2	-0.9	0	0	0	117.5
363	Y	29.7	Very low	28.7	Very low	202 Å²	202	147.8 Å²	147.8	79%	0.792	71%	0.711	S	S	*	*			trans	-123.4	104.4	151.6	-71.8	-78.8	0	0	0	109.6
364	L	28.1	Very low	28.8	Very low	151 Å²	151	144.2 Å²	144.2	79%	0.791	71%	0.705	S	S	*	*			trans	-171.7	158.6	162.3	-106.2	151.6	0	0	0	109.3
365	L	24.1	Very low	29.1	Very low	83 Å²	83	142 Å²	142	44%	0.435	70%	0.704	S	S	.	*			trans	-122.7	142.1	-150.8	-154.7	86.4	0	0	0	113.3	T312 F320	T312-L365 VanDerWaalsContact CG2-C 3.45Å; F320-L365 HydrophobicContact CD1-CD1 4.47Å; F320-L365 HydrophobicContact CD1-CD2 4.22Å; F320-L365 HydrophobicContact CE1-CD1 4.14Å; F320-L365 HydrophobicContact CE1-CD2 4.13Å; F320-L365 HydrophobicContact CE1-CG 4.15Å
366	L	29.4	Very low	28.9	Very low	108 Å²	108	140 Å²	140	57%	0.565	71%	0.706	S	S	*	*				-177.4	141.8	124.5	-147.2	78.8	0	0	0	113.4	V314	V314-L366 VanDerWaalsContact CG2-O 3.27Å; V314-L366 WeakPolarHBondContact CG2-O 3.33Å
367	I	28.5	Very low	28.9	Very low	112 Å²	112	137.4 Å²	137.4	57%	0.574	70%	0.703	S	S	*	*			trans	-108.2	139.1	153.5	-102.2	164.3	0	0	0	108.4	V314 F320	V314-I367 HydrophobicContact CB-CD1 4.15Å; V314-I367 HydrophobicContact CB-CG1 4.22Å; V314-I367 HydrophobicContact CG1-CD1 4.27Å; V314-I367 HydrophobicContact CG2-CB 4.16Å; V314-I367 HydrophobicContact CG2-CD1 4.12Å; V314-I367 HydrophobicContact CG2-CG1 3.78Å; F320-I367 HydrophobicContact CE2-CB 4.36Å; F320-I367 HydrophobicContact CE2-CD1 4.03Å; F320-I367 HydrophobicContact CZ-CB 3.78Å; F320-I367 HydrophobicContact CZ-CD1 3.94Å; F320-I367 HydrophobicContact CZ-CG1 4.25Å
368	G	31.6	Very low	28.7	Very low	53 Å²	53	137.5 Å²	137.5	55%	0.546	71%	0.71	S	S	.	*			trans	76.6	107.6	145.4	0	0	0	0	0	120
369	H	31.3	Very low	28.7	Very low	152 Å²	152	138.3 Å²	138.3	70%	0.704	71%	0.706	S	S	*	*			trans	-152.8	154	142.9	-120.1	46.4	0	0	0	108.4
370	H	32.5	Very low	28.8	Very low	127 Å²	127	136.6 Å²	136.6	59%	0.588	70%	0.704	S	S	*	*	S	Bend	cis	-135.3	166.3	2.9	-159.2	42.5	0	0	0	105.6
371	E	24.5	Very low	28.9	Very low	141 Å²	141	137.3 Å²	137.3	66%	0.659	71%	0.711	S	S	*	*			cis	-133	162.4	15.6	-71.9	164.8	-153.2	0	0	112.2	K295	K295-E371 WeakPolarHBondContact CD-O 3.41Å
372	T	29.4	Very low	29.2	Very low	103 Å²	103	133.8 Å²	133.8	63%	0.632	70%	0.704	S	S	*	*			trans	-135.4	134.3	152.7	41.9	0	0	0	0	109.2	K295	K295-T372 HydrophobicContact CD-CG2 4.18Å
373	P	25.2	Very low	29.1	Very low	92 Å²	92	133.6 Å²	133.6	60%	0.597	71%	0.708	S	S	*	*			trans	-65	155.5	179	29.1	-35.6	0	0	0	111.3
374	P	30.1	Very low	28.9	Very low	116 Å²	116	133.3 Å²	133.3	75%	0.753	71%	0.711	S	S	*	*	S	Bend	trans	-61.5	157.2	170.5	28.8	-35.1	0	0	0	111
375	E	36	Very low	28.9	Very low	175 Å²	175	131.2 Å²	131.2	82%	0.818	71%	0.706	S	S	*	*			trans	68.7	70.2	174	-60.7	176.3	-152.5	0	0	116.4
376	A	26.2	Very low	29.3	Very low	94 Å²	94	135.8 Å²	135.8	78%	0.777	73%	0.725	S	S	*	*			trans	-124.4	105.4	148.2	0	0	0	0	0	108.5	T378	A376-T378 PolarHBondContact O-N 3.4Å
377	H	28.9	Very low	29.9	Very low	160 Å²	160	137.1 Å²	137.1	74%	0.741	73%	0.733	S	S	*	*			trans	-68.3	129.3	-167.2	-71.6	-62.1	0	0	0	114.3	K379	H377-K379 PolarHBondContact O-N 3.48Å
378	T	27.3	Very low	29.8	Very low	140 Å²	140	141.1 Å²	141.1	86%	0.859	75%	0.747	S	S	*	*			trans	-74.4	36.2	174.1	44.6	0	0	0	0	114.1	A376	A376-T378 PolarHBondContact O-N 3.4Å
379	K	28.4	Very low	30	Very low	173 Å²	173	143 Å²	143	75%	0.752	75%	0.75	S	S	*	*			trans	-111.1	30.9	-173	-79.5	-160.9	167.4	-168.7	0	115.6	H377	H377-K379 PolarHBondContact O-N 3.48Å
380	I	32.3	Very low	30.4	Very low	160 Å²	160	147.5 Å²	147.5	82%	0.821	76%	0.76	S	S	*	*	S	Bend	trans	-107.5	-5.8	176.4	-85.8	174.5	0	0	0	113.4
381	L	30.2	Very low	30.4	Very low	172 Å²	172	148.4 Å²	148.4	90%	0.901	77%	0.77	S	S	*	*	S	Bend	trans	-111	12.2	-176.3	-68.4	176	0	0	0	114.9
382	E	31.3	Very low	31	Very low	156 Å²	156	150.8 Å²	150.8	73%	0.729	78%	0.781	S	S	*	*	S	Bend	trans	-116.2	111.9	171	-67.4	-170	136.9	0	0	111.4
383	T	26.5	Very low	31.3	Very low	135 Å²	135	149 Å²	149	83%	0.828	78%	0.782	S	S	*	*			trans	62.7	134	-177.7	65.2	0	0	0	0	117.2	P385	T383-P385 WeakPolarHBondContact O-CD 3.46Å
384	F	25.7	Very low	32	Very low	197 Å²	197	150.5 Å²	150.5	86%	0.864	79%	0.786	S	S	*	*			trans	-73	125.7	169.5	-111.6	-96.8	0	0	0	109.9	E386	F384-E386 PolarHBondContact O-N 3.27Å
385	P	27.8	Very low	32.7	Very low	106 Å²	106	147.4 Å²	147.4	69%	0.688	77%	0.765	S	S	*	*			trans	-73.5	116	161.6	-9.8	26.7	0	0	0	108.6	T383 N387	T383-P385 WeakPolarHBondContact O-CD 3.46Å; P385-N387 PolarHBondContact O-N 2.95Å
386	E	33.3	Very low	33	Very low	179 Å²	179	141.9 Å²	141.9	84%	0.836	74%	0.74	S	S	*	*	S	Bend	trans	-67.9	105.5	169.4	-70.7	-163.6	149.3	0	0	109.4	F384	F384-E386 PolarHBondContact O-N 3.27Å
387	N	40.4	Very low	33.5	Very low	136 Å²	136	141.8 Å²	141.8	73%	0.727	73%	0.731	S	S	*	*			trans	74.2	119.3	-175	-43	-86.5	0	0	0	115.1	P385	P385-N387 PolarHBondContact O-N 2.95Å
388	F	27.1	Very low	33.6	Very low	196 Å²	196	139.5 Å²	139.5	86%	0.86	73%	0.731	S	S	*	*				-173.1	178.4	126.2	-105.8	-60.5	0	0	0	111.3
389	P	35.2	Very low	33.9	Very low	94 Å²	94	138.7 Å²	138.7	61%	0.61	73%	0.726	S	S	*	*				-100.4	169.9	-121.8	42	-37.7	0	0	0	116.7	N391	P389-N391 PolarHBondContact O-N 3.42Å
390	R	40.4	Very low	34.1	Very low	245 Å²	245	136.4 Å²	136.4	93%	0.925	73%	0.727	S	S	*	*			trans	-54.1	131.2	163.6	-68	176	173.5	158.3	-1.2	111.2
391	N	32.6	Very low	34.1	Very low	147 Å²	147	136.3 Å²	136.3	79%	0.786	73%	0.728	S	S	*	*			trans	-140.9	136	170.9	-101.3	-27.1	0	0	0	111.4	P389 G393	P389-N391 PolarHBondContact O-N 3.42Å; N391-G393 VanDerWaalsContact C-N 3.29Å; N391-G393 PolarHBondContact O-N 3.39Å
392	Q	37	Very low	34.1	Very low	190 Å²	190	137.3 Å²	137.3	89%	0.888	73%	0.725	S	S	*	*			trans	-88.7	19	-171.9	-64.3	177.4	-44.9	0	0	114
393	G	35.6	Very low	34	Very low	65 Å²	65	138.2 Å²	138.2	67%	0.67	73%	0.726	S	S	*	*			trans	-78.7	-20.3	-166.5	0	0	0	0	0	116.7	N391 V395	N391-G393 VanDerWaalsContact C-N 3.29Å; N391-G393 PolarHBondContact O-N 3.39Å; G393-V395 PolarHBondContact O-N 2.82Å
394	N	40.4	Very low	34	Very low	124 Å²	124	135.6 Å²	135.6	66%	0.663	73%	0.726	S	S	*	*	S	Bend	trans	-85	26.8	-170.7	-63.9	-12.4	0	0	0	113.6
395	V	44.9	Very low	34.1	Very low	52 Å²	52	134.2 Å²	134.2	32%	0.315	72%	0.722	S	S	.	*	S	Bend	trans	-131.9	124.6	-168.3	169.1	0	0	0	0	108.6	L180 G393 P397	L180-V395 HydrophobicContact CB-CG1 4.36Å; L180-V395 HydrophobicContact CB-CG2 3.84Å; L180-V395 HydrophobicContact CD2-CG1 3.59Å; L180-V395 HydrophobicContact CD2-CG2 4.4Å; G393-V395 PolarHBondContact O-N 2.82Å; V395-P397 VanDerWaalsContact O-CD 3.24Å; V395-P397 WeakPolarHBondContact O-CD 3.08Å; V395-P397 VanDerWaalsContact O-N 3.11Å
396	I	41.8	Very low	34.1	Very low	59 Å²	59	138.3 Å²	138.3	30%	0.303	73%	0.732	S	S	.	*			trans	-62.1	114.5	166.6	-57.7	177.3	0	0	0	106.4	P72 N183	P72-I396 HydrophobicContact CG-CD1 4.19Å; P72-I396 HydrophobicContact CG-CG1 4.37Å; N183-I396 HydrophobicContact CB-CB 4.27Å; N183-I396 PolarHBondContact ND2-O 2.89Å
397	P	35.9	Very low	33.7	Very low	91 Å²	91	139.1 Å²	139.1	59%	0.591	73%	0.733	S	S	*	*			trans	-66	152.6	-177.2	28.4	-34.7	0	0	0	110.1	V395 T399	V395-P397 VanDerWaalsContact O-CD 3.24Å; V395-P397 WeakPolarHBondContact O-CD 3.08Å; V395-P397 VanDerWaalsContact O-N 3.11Å; P397-T399 PolarHBondContact O-N 2.7Å
398	P	31.9	Very low	33	Very low	112 Å²	112	139.2 Å²	139.2	73%	0.727	74%	0.738	S	S	*	*			trans	-56.9	134.5	172.5	26.2	-34.2	0	0	0	109.3	T400	P398-T400 PolarHBondContact O-N 3.16Å
399	T	33.9	Very low	32.9	Very low	124 Å²	124	136.5 Å²	136.5	76%	0.761	73%	0.733	S	S	*	*			trans	-66.1	96.4	-177.1	34.2	0	0	0	0	110.9	P397	P397-T399 PolarHBondContact O-N 2.7Å
400	T	32.2	Very low	32.3	Very low	125 Å²	125	139.5 Å²	139.5	77%	0.767	74%	0.743	S	S	*	*			trans	-60.6	132.5	164.6	50.9	0	0	0	0	109	P398 K402	P398-T400 PolarHBondContact O-N 3.16Å; T400-K402 PolarHBondContact O-N 3.45Å
401	D	32.6	Very low	31.7	Very low	158 Å²	158	132.9 Å²	132.9	85%	0.845	74%	0.735	S	S	*	*			trans	-51.3	122.4	-176.3	-66.1	-65.1	0	0	0	112	K403	D401-K403 PolarHBondContact O-N 2.8Å
402	K	29.8	Very low	31.3	Very low	192 Å²	192	129.2 Å²	129.2	84%	0.835	73%	0.732	S	S	*	*			trans	-69.5	80.9	172.1	-73.1	178.2	-179.1	166.5	0	109.4	T400 G404	T400-K402 PolarHBondContact O-N 3.45Å; K402-G404 PolarHBondContact O-N 2.79Å
403	K	29.2	Very low	30.9	Very low	176 Å²	176	128.6 Å²	128.6	77%	0.765	73%	0.731	S	S	*	*			trans	-58.5	117.8	151.2	-83.8	-170.7	170.3	-170.3	0	107.5	D401 E405	D401-K403 PolarHBondContact O-N 2.8Å; K403-E405 PolarHBondContact O-N 2.94Å
404	G	27.1	Very low	30.4	Very low	80 Å²	80	131.8 Å²	131.8	83%	0.825	73%	0.733	S	S	*	*			trans	-74.3	116.3	165.7	0	0	0	0	0	108.9	K402	K402-G404 PolarHBondContact O-N 2.79Å
405	E	26.6	Very low	29.7	Very low	167 Å²	167	131.5 Å²	131.5	78%	0.78	73%	0.731	S	S	*	*			trans	-118.6	124.1	162.9	-72.5	-178	172.1	0	0	107.4	K403	K403-E405 PolarHBondContact O-N 2.94Å
406	E	27.5	Very low	28.7	Very low	193 Å²	193	138.3 Å²	138.3	90%	0.902	75%	0.751	S	S	*	*			trans	-71.2	142	-178.9	-67.8	179	100.8	0	0	110.8	V408	E406-V408 PolarHBondContact O-N 2.94Å
407	K	24.9	Very low	28	Very low	196 Å²	196	144 Å²	144	85%	0.852	78%	0.777	S	S	*	*			trans	-72.9	114	164.6	-85.2	-169.9	173.8	-174.1	0	109.8
408	V	25.5	Very low	28.4	Very low	138 Å²	138	144.6 Å²	144.6	84%	0.836	78%	0.78	S	S	*	*			trans	-106.9	129.9	144	-178.3	0	0	0	0	106.9	E406	E406-V408 PolarHBondContact O-N 2.94Å
409	N	25.3	Very low	28.1	Very low	139 Å²	139	144.1 Å²	144.1	74%	0.743	78%	0.78	S	S	*	*			trans	-73.6	149	177.6	-53.9	-50.9	0	0	0	109.8
410	D	24.2	Very low	27.6	Very low	156 Å²	156	143.9 Å²	143.9	83%	0.834	78%	0.778	S	S	*	*			trans	-139.9	150.6	143.4	-156.8	3	0	0	0	110.8
411	S	27.8	Very low	27.1	Very low	107 Å²	107	142.5 Å²	142.5	75%	0.748	77%	0.774	S	S	*	*			trans	-115.5	108.9	178.3	53.6	0	0	0	0	108.1
412	G	24.3	Very low	26.9	Very low	70 Å²	70	141.3 Å²	141.3	72%	0.722	77%	0.766	S	S	*	*			trans	-72	162	-168	0	0	0	0	0	115.3
413	M	26.6	Very low	26.6	Very low	176 Å²	176	140.5 Å²	140.5	87%	0.867	77%	0.765	S	S	*	*			trans	-154.5	164.9	145.8	-144.8	68.7	-172.5	0	0	110.6
414	D	26.5	Very low	26.5	Very low	132 Å²	132	140.5 Å²	140.5	71%	0.706	77%	0.768	S	S	*	*			trans	-57.9	159.3	-163.8	-58.5	-71.9	0	0	0	120.5
415	D	26.2	Very low	26.9	Very low	119 Å²	119	142.9 Å²	142.9	64%	0.636	77%	0.769	S	S	*	*				107.9	133.8	125.1	-120.7	-9.9	0	0	0	123.1
416	R	23.8	Very low	26.8	Very low	194 Å²	194	137.9 Å²	137.9	73%	0.732	76%	0.762	S	S	*	*			trans	65.7	101.5	154.7	-73.5	162	-137.1	-142.2	3.9	123.7
417	Q	25.7	Very low	26.8	Very low	180 Å²	180	135.3 Å²	135.3	84%	0.841	76%	0.76	S	S	*	*				52.1	158	99.6	-76.9	-165.5	-8.6	0	0	122.4
418	P	45.2	Very low	26.8	Very low	102 Å²	102	130.7 Å²	130.7	66%	0.662	75%	0.752	S	S	*	*			cis	-143.6	-160.1	-26.4	40.2	-20.5	0	0	0	114.2
419	S	24.3	Very low	26.8	Very low	102 Å²	102	129.4 Å²	129.4	71%	0.713	75%	0.75	S	S	*	*			trans	78.1	141.1	162	71.7	0	0	0	0	118.2
420	T	24.1	Very low	26.8	Very low	119 Å²	119	134.5 Å²	134.5	73%	0.73	76%	0.758	S	S	*	*			cis	-161.6	136.8	-15.6	22	0	0	0	0	106.2
421	S	23	Very low	26.9	Very low	96 Å²	96	134 Å²	134	67%	0.671	76%	0.761	S	S	*	*				63.4	131.9	65.9	101.3	0	0	0	0	112.8
422	I	27.7	Very low	26.7	Very low	134 Å²	134	133.3 Å²	133.3	69%	0.687	76%	0.762	S	S	*	*			cis	-158.9	150.2	25.6	-95	-155.7	0	0	0	112.8
423	Q	23.8	Very low	26.8	Very low	174 Å²	174	141.2 Å²	141.2	81%	0.813	77%	0.77	S	S	*	*			trans	42.3	133	150.3	-64	164.7	-20.7	0	0	126.4
424	E	27	Very low	27.7	Very low	176 Å²	176	137.3 Å²	137.3	82%	0.822	76%	0.758	S	S	*	*			trans	-31.6	166.4	135.8	-118.9	-175.8	-114	0	0	117.8
425	P	34.8	Very low	27.7	Very low	130 Å²	130	139.2 Å²	139.2	84%	0.844	76%	0.763	S	S	*	*				-148.4	-178.1	68.5	39.7	-19.4	0	0	0	116.7
426	G	25.4	Very low	28	Very low	62 Å²	62	137.8 Å²	137.8	64%	0.639	77%	0.767	S	S	*	*			trans	-150.3	179.1	175.3	0	0	0	0	0	115.6
427	T	26.2	Very low	29.2	Very low	140 Å²	140	133.9 Å²	133.9	86%	0.859	77%	0.767	S	S	*	*			trans	-160.7	139.3	177.3	17.7	0	0	0	0	116.4
428	S	25.9	Very low	29.8	Very low	99 Å²	99	131.7 Å²	131.7	69%	0.692	77%	0.766	S	S	*	*			trans	38.6	102.7	145.2	64.8	0	0	0	0	124.6
429	S	24.8	Very low	29.2	Very low	111 Å²	111	133.9 Å²	133.9	78%	0.776	77%	0.772	S	S	*	*				56.3	114.8	119.6	70.6	0	0	0	0	125.7
430	R	26.6	Very low	30.3	Very low	245 Å²	245	133.1 Å²	133.1	93%	0.925	77%	0.766	S	S	*	*				83.8	102.6	125.4	-119.5	-175.8	-174.7	-175.7	1.2	123.6
431	T	25	Very low	31.1	Very low	146 Å²	146	134.8 Å²	134.8	90%	0.896	77%	0.768	S	S	*	*			trans	-172.5	158.7	142.2	22.7	0	0	0	0	108.8
432	A	22.9	Very low	32.1	Very low	93 Å²	93	138.5 Å²	138.5	77%	0.769	78%	0.779	S	S	*	*			cis	-150.7	-128	-12.4	0	0	0	0	0	110.6
433	R	27.3	Very low	33	Very low	236 Å²	236	140.4 Å²	140.4	89%	0.891	78%	0.783	S	S	*	*			trans	-162.2	175.6	179.3	-105.1	-170.2	-177.9	-177.8	0.3	109.8
434	P	45.5	Very low	34.2	Very low	94 Å²	94	136.1 Å²	136.1	61%	0.61	77%	0.765	S	S	*	*			cis	-121.6	-139.9	10.2	29.5	-4.2	0	0	0	111.4
435	E	27.3	Very low	35.2	Very low	172 Å²	172	134.4 Å²	134.4	80%	0.804	76%	0.759	S	S	*	*			cis	-166.4	153.6	-0.7	-147.2	122.5	-105.2	0	0	108.8
436	A	31.7	Very low	36	Very low	89 Å²	89	131.4 Å²	131.4	74%	0.736	75%	0.745	S	S	*	*			cis	-154.8	-53	-38.2	0	0	0	0	0	115.2
437	P	49.5	Very low	37.5	Very low	112 Å²	112	132 Å²	132	73%	0.727	74%	0.736	S	S	*	*			trans	-120.5	176.5	-159.8	41	-26.5	0	0	0	114.1
438	V	37.2	Very low	39.1	Very low	134 Å²	134	130 Å²	130	81%	0.812	72%	0.719	S	S	*	*			cis	-130	-166.2	-0.1	-127.2	0	0	0	0	108.1
439	D	33.8	Very low	40.7	Very low	148 Å²	148	129.9 Å²	129.9	79%	0.791	71%	0.71	S	S	*	*			cis	-147.9	177.4	11.7	-152.7	-12.1	0	0	0	111.5
440	S	46.2	Very low	42.3	Very low	86 Å²	86	131.9 Å²	131.9	60%	0.601	71%	0.705	S	S	*	*			trans	-158.3	-157.9	-167.2	-166	0	0	0	0	115.6
441	M	41.1	Very low	44	Very low	153 Å²	153	123.8 Å²	123.8	75%	0.754	69%	0.686	S	S	*	*			trans	91.8	14.4	159.3	-54.7	-93.3	70.3	0	0	120.8
442	L	44.8	Very low	45.8	Very low	174 Å²	174	120.6 Å²	120.6	91%	0.911	67%	0.666	S	S	*	*	S	Bend	trans	-127.2	-4.9	168.9	-122.2	92.2	0	0	0	117.3
443	K	46.9	Very low	47.9	Very low	175 Å²	175	123.7 Å²	123.7	76%	0.761	66%	0.662	S	S	*	*	S	Bend	trans	-96.4	-28.4	-169.3	-155.1	169.7	-176.9	178.9	0	115	T447	K443-T447 PolarHBondContact O-OG1 2.86Å
444	D	49.3	Very low	49.8	Very low	83 Å²	83	118 Å²	118	44%	0.444	65%	0.649	S	S	.	*	H	α-helix	trans	-82.5	-23.9	-162.4	-60.4	-50.6	0	0	0	115.9	A446 T447 I448	D444-A446 PolarHBondContact O-N 3.39Å; D444-T447 WeakPolarHBondContact CA-OG1 3.42Å; D444-T447 PolarHBondContact O-OG1 2.92Å; D444-I448 VanDerWaalsContact O-CG1 3.29Å; D444-I448 WeakPolarHBondContact O-CG1 3.37Å; D444-I448 PolarHBondContact O-N 3.42Å; D444-I448 VanDerWaalsContact O-N 3.09Å
445	M	48	Very low	50.8	Low	140 Å²	140	119 Å²	119	69%	0.69	65%	0.649	S	S	*	*	H	α-helix	trans	-68.5	-34.9	-179.7	-72.8	-67.4	151.4	0	0	112.6	I449	M445-I449 WeakPolarHBondContact O-CD1 3.49Å; M445-I449 VanDerWaalsContact O-CG1 3.3Å; M445-I449 WeakPolarHBondContact O-CG1 3.43Å; M445-I449 PolarHBondContact O-N 2.81Å
446	A	50.5	Low	52.7	Low	67 Å²	67	113.7 Å²	113.7	55%	0.554	63%	0.634	S	S	*	*	H	α-helix	trans	-69.9	-42.2	177.9	0	0	0	0	0	112	D444 F450	D444-A446 PolarHBondContact O-N 3.39Å; A446-F450 PolarHBondContact O-N 3.3Å
447	T	57.6	Low	54.3	Low	75 Å²	75	111.5 Å²	111.5	46%	0.46	62%	0.621	S	S	.	*	H	α-helix	trans	-65.5	-45	177.8	19.7	0	0	0	0	112.2	K443 D444 I449 F450 S451	K443-T447 PolarHBondContact O-OG1 2.86Å; D444-T447 WeakPolarHBondContact CA-OG1 3.42Å; D444-T447 PolarHBondContact O-OG1 2.92Å; T447-I449 VanDerWaalsContact C-N 3.32Å; T447-I449 PolarHBondContact O-N 3.22Å; T447-F450 PolarHBondContact O-N 3.06Å; T447-S451 WeakPolarHBondContact O-CB 3.26Å; T447-S451 PolarHBondContact O-N 3.43Å; T447-S451 PolarHBondContact O-OG 3.16Å; T447-S451 VanDerWaalsContact O-OG 3.12Å
448	I	59.3	Low	55.2	Low	98 Å²	98	114.8 Å²	114.8	50%	0.503	62%	0.619	S	S	.	*	H	α-helix	trans	-62	-40.3	179.8	-67.9	167.4	0	0	0	111.2	D444 T452	D444-I448 VanDerWaalsContact O-CG1 3.29Å; D444-I448 WeakPolarHBondContact O-CG1 3.37Å; D444-I448 PolarHBondContact O-N 3.42Å; D444-I448 VanDerWaalsContact O-N 3.09Å; I448-T452 WeakPolarHBondContact O-CG2 3.25Å; I448-T452 PolarHBondContact O-N 3.34Å; I448-T452 PolarHBondContact O-OG1 3.4Å
449	I	60.3	Low	56.6	Low	96 Å²	96	112 Å²	112	49%	0.492	60%	0.602	S	S	.	*	H	α-helix	trans	-67.5	-45	176.5	-65.7	169.7	0	0	0	110.8	M445 T447 S451 T452 F453	M445-I449 WeakPolarHBondContact O-CD1 3.49Å; M445-I449 VanDerWaalsContact O-CG1 3.3Å; M445-I449 WeakPolarHBondContact O-CG1 3.43Å; M445-I449 PolarHBondContact O-N 2.81Å; T447-I449 VanDerWaalsContact C-N 3.32Å; T447-I449 PolarHBondContact O-N 3.22Å; I449-S451 PolarHBondContact O-N 3.01Å; I449-T452 PolarHBondContact O-N 2.91Å; I449-T452 PolarHBondContact O-OG1 2.94Å; I449-F453 HydrophobicContact CG2-CD2 3.95Å; I449-F453 HydrophobicContact CG2-CE2 4.13Å; I449-F453 WeakPolarHBondContact O-CD2 3.41Å; I449-F453 PolarHBondContact O-N 3.38Å; I449-F453 VanDerWaalsContact O-N 3.12Å
450	F	58	Low	57.9	Low	154 Å²	154	107 Å²	107	68%	0.675	58%	0.581	S	S	*	*	H	α-helix	trans	-61.9	-43.6	176.8	-112.7	-92.1	0	0	0	112.7	A446 T447 L454	A446-F450 PolarHBondContact O-N 3.3Å; T447-F450 PolarHBondContact O-N 3.06Å; F450-L454 HydrophobicContact CD1-CD1 4.35Å; F450-L454 WeakPolarHBondContact O-CB 3.2Å; F450-L454 PolarHBondContact O-N 2.9Å
451	S	61.3	Low	58.6	Low	74 Å²	74	108.2 Å²	108.2	52%	0.517	58%	0.576	S	S	.	*	H	α-helix	trans	-64.8	-38.1	179	-67	0	0	0	0	112.9	T447 I449 L455	T447-S451 WeakPolarHBondContact O-CB 3.26Å; T447-S451 PolarHBondContact O-N 3.43Å; T447-S451 PolarHBondContact O-OG 3.16Å; T447-S451 VanDerWaalsContact O-OG 3.12Å; I449-S451 PolarHBondContact O-N 3.01Å; S451-L455 VanDerWaalsContact O-CB 3.28Å; S451-L455 WeakPolarHBondContact O-CB 3.48Å; S451-L455 PolarHBondContact O-N 3.28Å
452	T	63	Low	59.7	Low	79 Å²	79	104.5 Å²	104.5	49%	0.485	56%	0.561	S	S	.	*	H	α-helix	trans	-72.3	-39	178.6	47.8	0	0	0	0	112.5	I448 I449 L455 A456	I448-T452 WeakPolarHBondContact O-CG2 3.25Å; I448-T452 PolarHBondContact O-N 3.34Å; I448-T452 PolarHBondContact O-OG1 3.4Å; I449-T452 PolarHBondContact O-N 2.91Å; I449-T452 PolarHBondContact O-OG1 2.94Å; T452-L455 PolarHBondContact O-N 3.5Å; T452-A456 WeakPolarHBondContact O-CB 3.33Å; T452-A456 PolarHBondContact O-N 3.06Å
453	F	67.1	Low	60.6	Low	158 Å²	158	100.8 Å²	100.8	69%	0.693	54%	0.541	S	S	*	.	H	α-helix	trans	-66.6	-40.8	172.1	-89.1	-78.7	0	0	0	112.8	I449 G457	I449-F453 HydrophobicContact CG2-CD2 3.95Å; I449-F453 HydrophobicContact CG2-CE2 4.13Å; I449-F453 WeakPolarHBondContact O-CD2 3.41Å; I449-F453 PolarHBondContact O-N 3.38Å; I449-F453 VanDerWaalsContact O-N 3.12Å; F453-G457 PolarHBondContact O-N 3.28Å
454	L	68	Low	61	Low	117 Å²	117	97.5 Å²	97.5	61%	0.613	53%	0.531	S	S	*	.	H	α-helix	trans	-61	-47.3	173.4	-88.3	161.8	0	0	0	111.5	F450 G457 W458	F450-L454 HydrophobicContact CD1-CD1 4.35Å; F450-L454 WeakPolarHBondContact O-CB 3.2Å; F450-L454 PolarHBondContact O-N 2.9Å; L454-G457 PolarHBondContact O-N 3.44Å; L454-W458 WeakPolarHBondContact O-CB 3.42Å; L454-W458 PolarHBondContact O-N 3.41Å
455	L	66.3	Low	61.2	Low	116 Å²	116	99.6 Å²	99.6	61%	0.607	53%	0.533	S	S	*	.	H	α-helix	trans	-63	-44	179.3	-171.5	69.2	0	0	0	111.9	S451 T452 W458 V459	S451-L455 VanDerWaalsContact O-CB 3.28Å; S451-L455 WeakPolarHBondContact O-CB 3.48Å; S451-L455 PolarHBondContact O-N 3.28Å; T452-L455 PolarHBondContact O-N 3.5Å; L455-W458 PolarHBondContact O-N 3.38Å; L455-V459 WeakPolarHBondContact O-CG2 3.46Å; L455-V459 PolarHBondContact O-N 3.44Å
456	A	66.1	Low	61.4	Low	59 Å²	59	96.3 Å²	96.3	49%	0.488	52%	0.522	S	S	.	.	H	α-helix	trans	-63.2	-41.9	176.4	0	0	0	0	0	112.1	T452 A460	T452-A456 WeakPolarHBondContact O-CB 3.33Å; T452-A456 PolarHBondContact O-N 3.06Å; A456-A460 VanDerWaalsContact O-CB 3.32Å; A456-A460 WeakPolarHBondContact O-CB 3.29Å; A456-A460 PolarHBondContact O-N 3.41Å
457	G	66.7	Low	61.1	Low	44 Å²	44	100.3 Å²	100.3	45%	0.454	53%	0.527	S	S	.	.	H	α-helix	trans	-63	-41	174	0	0	0	0	0	112.8	F453 L454 A460 F461	F453-G457 PolarHBondContact O-N 3.28Å; L454-G457 PolarHBondContact O-N 3.44Å; G457-A460 PolarHBondContact O-N 3.18Å; G457-F461 WeakPolarHBondContact O-CB 3.46Å; G457-F461 PolarHBondContact O-N 3.35Å
458	W	67.5	Low	61	Low	181 Å²	181	99.3 Å²	99.3	69%	0.686	52%	0.523	S	S	*	.	H	α-helix	trans	-68.2	-41.6	178.1	-136.7	84.2	0	0	0	112.2	L454 L455 F461 V462	L454-W458 WeakPolarHBondContact O-CB 3.42Å; L454-W458 PolarHBondContact O-N 3.41Å; L455-W458 PolarHBondContact O-N 3.38Å; W458-F461 PolarHBondContact O-N 3.44Å; W458-V462 HydrophobicContact CD2-CG2 4.43Å; W458-V462 HydrophobicContact CE3-CG2 3.62Å; W458-V462 HydrophobicContact CH2-CG2 4.44Å; W458-V462 HydrophobicContact CZ3-CG2 3.64Å; W458-V462 WeakPolarHBondContact O-CG2 3.48Å; W458-V462 PolarHBondContact O-N 2.97Å
459	V	66.3	Low	60.6	Low	75 Å²	75	96.7 Å²	96.7	46%	0.455	51%	0.512	S	S	.	.	H	α-helix	trans	-65.6	-42.1	174.4	170.7	0	0	0	0	111.2	L455 F461 V462 I463	L455-V459 WeakPolarHBondContact O-CG2 3.46Å; L455-V459 PolarHBondContact O-N 3.44Å; V459-F461 VanDerWaalsContact C-N 3.34Å; V459-F461 PolarHBondContact O-N 3.08Å; V459-V462 PolarHBondContact O-N 2.98Å; V459-I463 HydrophobicContact CG1-CD1 3.72Å; V459-I463 WeakPolarHBondContact O-CB 3.31Å; V459-I463 VanDerWaalsContact O-CG1 3.3Å; V459-I463 WeakPolarHBondContact O-CG1 3.49Å; V459-I463 PolarHBondContact O-N 2.9Å
460	A	61.3	Low	60.2	Low	43 Å²	43	97.7 Å²	97.7	36%	0.355	51%	0.514	S	S	.	.	H	α-helix	trans	-61.6	-42.5	173.6	0	0	0	0	0	111.6	A456 G457 I463 I464	A456-A460 VanDerWaalsContact O-CB 3.32Å; A456-A460 WeakPolarHBondContact O-CB 3.29Å; A456-A460 PolarHBondContact O-N 3.41Å; G457-A460 PolarHBondContact O-N 3.18Å; A460-I463 PolarHBondContact O-N 3Å; A460-I464 HydrophobicContact CB-CD1 4.43Å; A460-I464 VanDerWaalsContact O-CB 3.26Å; A460-I464 WeakPolarHBondContact O-CB 3.44Å; A460-I464 VanDerWaalsContact O-CG1 3.24Å; A460-I464 WeakPolarHBondContact O-CG1 3.31Å; A460-I464 PolarHBondContact O-N 3.47Å
461	F	60.6	Low	59.9	Low	112 Å²	112	96.9 Å²	96.9	49%	0.491	51%	0.511	S	S	.	.	H	α-helix	trans	-60.5	-50.8	174.4	-174.7	-99.5	0	0	0	111.4	G457 W458 V459 I463 I464 Y465	G457-F461 WeakPolarHBondContact O-CB 3.46Å; G457-F461 PolarHBondContact O-N 3.35Å; W458-F461 PolarHBondContact O-N 3.44Å; V459-F461 VanDerWaalsContact C-N 3.34Å; V459-F461 PolarHBondContact O-N 3.08Å; F461-I463 PolarHBondContact O-N 2.79Å; F461-I464 PolarHBondContact O-N 2.83Å; F461-Y465 HydrophobicContact CD2-CD2 4.5Å; F461-Y465 HydrophobicContact CE1-CD1 4.29Å; F461-Y465 HydrophobicContact CE1-CD2 4.32Å; F461-Y465 HydrophobicContact CE1-CG 4.03Å; F461-Y465 AromaticContact CE2-CD2 3.6Å; F461-Y465 HydrophobicContact CE2-CD2 3.6Å; F461-Y465 HydrophobicContact CE2-CE2 4.26Å; F461-Y465 AromaticContact CE2-CG 3.97Å; F461-Y465 HydrophobicContact CE2-CG 3.97Å; F461-Y465 HydrophobicContact CZ-CD1 4.18Å; F461-Y465 AromaticContact CZ-CD2 3.49Å; F461-Y465 HydrophobicContact CZ-CD2 3.49Å; F461-Y465 VanDerWaalsContact CZ-CD2 3.49Å; F461-Y465 AromaticContact CZ-CE2 3.89Å; F461-Y465 HydrophobicContact CZ-CE2 3.89Å; F461-Y465 AromaticContact CZ-CG 3.65Å; F461-Y465 HydrophobicContact CZ-CG 3.65Å; F461-Y465 WeakPolarHBondContact O-CA 3.12Å; F461-Y465 WeakPolarHBondContact O-CB 3.43Å; F461-Y465 PolarHBondContact O-N 2.87Å
462	V	65.9	Low	59.3	Low	75 Å²	75	99.2 Å²	99.2	46%	0.455	51%	0.513	S	S	.	.	H	α-helix	trans	-62.3	-27	178.8	170.7	0	0	0	0	113.1	W458 V459 P466	W458-V462 HydrophobicContact CD2-CG2 4.43Å; W458-V462 HydrophobicContact CE3-CG2 3.62Å; W458-V462 HydrophobicContact CH2-CG2 4.44Å; W458-V462 HydrophobicContact CZ3-CG2 3.64Å; W458-V462 WeakPolarHBondContact O-CG2 3.48Å; W458-V462 PolarHBondContact O-N 2.97Å; V459-V462 PolarHBondContact O-N 2.98Å; V462-P466 WeakPolarHBondContact O-CD 3.26Å; V462-P466 WeakPolarHBondContact O-CG 3.49Å
463	I	62.9	Low	58.5	Low	96 Å²	96	100.4 Å²	100.4	49%	0.492	51%	0.513	S	S	.	.	H	α-helix	trans	-86.5	-34.6	177.2	-68.1	170.1	0	0	0	112.7	V459 A460 F461	V459-I463 HydrophobicContact CG1-CD1 3.72Å; V459-I463 WeakPolarHBondContact O-CB 3.31Å; V459-I463 VanDerWaalsContact O-CG1 3.3Å; V459-I463 WeakPolarHBondContact O-CG1 3.49Å; V459-I463 PolarHBondContact O-N 2.9Å; A460-I463 PolarHBondContact O-N 3Å; F461-I463 PolarHBondContact O-N 2.79Å
464	I	55.3	Low	57.7	Low	105 Å²	105	98.2 Å²	98.2	54%	0.538	51%	0.505	S	S	.	.	H	α-helix	trans	-94.4	-40.5	-172.9	-62.4	169.4	0	0	0	111.7	A460 F461 K467 S468	A460-I464 HydrophobicContact CB-CD1 4.43Å; A460-I464 VanDerWaalsContact O-CB 3.26Å; A460-I464 WeakPolarHBondContact O-CB 3.44Å; A460-I464 VanDerWaalsContact O-CG1 3.24Å; A460-I464 WeakPolarHBondContact O-CG1 3.31Å; A460-I464 PolarHBondContact O-N 3.47Å; F461-I464 PolarHBondContact O-N 2.83Å; I464-K467 CarbonylContact O-C 3.6Å; I464-K467 WeakPolarHBondContact O-CA 3.47Å; I464-K467 WeakPolarHBondContact O-CB 3.46Å; I464-K467 PolarHBondContact O-N 3.21Å; I464-S468 PolarHBondContact O-N 3.04Å; I464-S468 PolarHBondContact O-OG 3.31Å
465	Y	52.8	Low	57.2	Low	127 Å²	127	96.8 Å²	96.8	50%	0.498	50%	0.498	S	S	.	.	H	α-helix	trans	-58.5	-45.2	-177.3	-177.5	-99.4	0	0	0	113	F461 K467 S468 V469	F461-Y465 HydrophobicContact CD2-CD2 4.5Å; F461-Y465 HydrophobicContact CE1-CD1 4.29Å; F461-Y465 HydrophobicContact CE1-CD2 4.32Å; F461-Y465 HydrophobicContact CE1-CG 4.03Å; F461-Y465 AromaticContact CE2-CD2 3.6Å; F461-Y465 HydrophobicContact CE2-CD2 3.6Å; F461-Y465 HydrophobicContact CE2-CE2 4.26Å; F461-Y465 AromaticContact CE2-CG 3.97Å; F461-Y465 HydrophobicContact CE2-CG 3.97Å; F461-Y465 HydrophobicContact CZ-CD1 4.18Å; F461-Y465 AromaticContact CZ-CD2 3.49Å; F461-Y465 HydrophobicContact CZ-CD2 3.49Å; F461-Y465 VanDerWaalsContact CZ-CD2 3.49Å; F461-Y465 AromaticContact CZ-CE2 3.89Å; F461-Y465 HydrophobicContact CZ-CE2 3.89Å; F461-Y465 AromaticContact CZ-CG 3.65Å; F461-Y465 HydrophobicContact CZ-CG 3.65Å; F461-Y465 WeakPolarHBondContact O-CA 3.12Å; F461-Y465 WeakPolarHBondContact O-CB 3.43Å; F461-Y465 PolarHBondContact O-N 2.87Å; Y465-K467 VanDerWaalsContact C-N 3.28Å; Y465-K467 PolarHBondContact O-N 3.48Å; Y465-S468 PolarHBondContact O-N 3.16Å; Y465-S468 PolarHBondContact O-OG 3.47Å; Y465-S468 VanDerWaalsContact O-OG 3.09Å; Y465-V469 HydrophobicContact CD1-CG2 4.23Å; Y465-V469 HydrophobicContact CD2-CG2 4.26Å; Y465-V469 HydrophobicContact CE1-CG2 3.96Å; Y465-V469 HydrophobicContact CE2-CG2 4Å; Y465-V469 HydrophobicContact CG-CG2 4.38Å; Y465-V469 WeakPolarHBondContact O-CB 3.24Å; Y465-V469 VanDerWaalsContact O-CG2 3.28Å; Y465-V469 WeakPolarHBondContact O-CG2 3.5Å; Y465-V469 PolarHBondContact O-N 3.14Å
466	P	52	Low	56.2	Low	71 Å²	71	97 Å²	97	46%	0.461	50%	0.496	S	S	.	.	H	α-helix	trans	-60.3	-39.4	173.5	-23.2	35.2	0	0	0	111.7	V462 H470	V462-P466 WeakPolarHBondContact O-CD 3.26Å; V462-P466 WeakPolarHBondContact O-CG 3.49Å; P466-H470 VanDerWaalsContact O-CB 3.26Å; P466-H470 WeakPolarHBondContact O-CB 3.49Å; P466-H470 PolarHBondContact O-N 2.86Å
467	K	46	Very low	55.2	Low	151 Å²	151	99.2 Å²	99.2	66%	0.657	50%	0.496	S	S	*	.	H	α-helix	trans	-70.8	-37.8	-179.5	-68.8	-177.7	176.7	-178.8	0	113	I464 Y465 K471	I464-K467 CarbonylContact O-C 3.6Å; I464-K467 WeakPolarHBondContact O-CA 3.47Å; I464-K467 WeakPolarHBondContact O-CB 3.46Å; I464-K467 PolarHBondContact O-N 3.21Å; Y465-K467 VanDerWaalsContact C-N 3.28Å; Y465-K467 PolarHBondContact O-N 3.48Å; K467-K471 VanDerWaalsContact O-CB 3.3Å; K467-K471 WeakPolarHBondContact O-CB 3.21Å; K467-K471 PolarHBondContact O-N 3.08Å
468	S	53.6	Low	54.6	Low	54 Å²	54	103.4 Å²	103.4	38%	0.378	50%	0.503	S	S	.	.	H	α-helix	trans	-70.3	-42.5	174.3	58.9	0	0	0	0	111.3	I464 Y465 K471 Q472	I464-S468 PolarHBondContact O-N 3.04Å; I464-S468 PolarHBondContact O-OG 3.31Å; Y465-S468 PolarHBondContact O-N 3.16Å; Y465-S468 PolarHBondContact O-OG 3.47Å; Y465-S468 VanDerWaalsContact O-OG 3.09Å; S468-K471 PolarHBondContact O-N 3.05Å; S468-Q472 VanDerWaalsContact O-CB 3.25Å; S468-Q472 WeakPolarHBondContact O-CB 3.32Å; S468-Q472 PolarHBondContact O-N 2.86Å
469	V	52.3	Low	53.8	Low	44 Å²	44	100.4 Å²	100.4	27%	0.267	50%	0.497	S	S	.	.	H	α-helix	trans	-63.3	-44.9	175.7	172.3	0	0	0	0	110.7	Y465 K471 Q472 Q473	Y465-V469 HydrophobicContact CD1-CG2 4.23Å; Y465-V469 HydrophobicContact CD2-CG2 4.26Å; Y465-V469 HydrophobicContact CE1-CG2 3.96Å; Y465-V469 HydrophobicContact CE2-CG2 4Å; Y465-V469 HydrophobicContact CG-CG2 4.38Å; Y465-V469 WeakPolarHBondContact O-CB 3.24Å; Y465-V469 VanDerWaalsContact O-CG2 3.28Å; Y465-V469 WeakPolarHBondContact O-CG2 3.5Å; Y465-V469 PolarHBondContact O-N 3.14Å; V469-K471 PolarHBondContact O-N 3.4Å; V469-Q472 PolarHBondContact O-N 2.99Å; V469-Q473 HydrophobicContact CG1-CG 4.27Å; V469-Q473 WeakPolarHBondContact O-CB 3.45Å; V469-Q473 VanDerWaalsContact O-CG 3.29Å; V469-Q473 WeakPolarHBondContact O-CG 3.45Å; V469-Q473 PolarHBondContact O-N 2.89Å
470	H	50.7	Low	52.7	Low	116 Å²	116	101.3 Å²	101.3	54%	0.537	50%	0.495	S	S	.	.	H	α-helix	trans	-64.3	-40.9	177.4	-137.1	57.1	0	0	0	112	P466 Q473 Q474	P466-H470 VanDerWaalsContact O-CB 3.26Å; P466-H470 WeakPolarHBondContact O-CB 3.49Å; P466-H470 PolarHBondContact O-N 2.86Å; H470-Q473 PolarHBondContact O-N 2.79Å; H470-Q474 WeakPolarHBondContact O-CB 3.49Å; H470-Q474 VanDerWaalsContact O-CG 3.28Å; H470-Q474 WeakPolarHBondContact O-CG 3.45Å; H470-Q474 PolarHBondContact O-N 3.45Å
471	K	52.3	Low	51.8	Low	137 Å²	137	101.9 Å²	101.9	60%	0.596	49%	0.49	S	S	*	.	H	α-helix	trans	-65.8	-37.8	175.3	-173.3	172.2	-178	176.6	0	112.2	K467 S468 V469 Q474 L475	K467-K471 VanDerWaalsContact O-CB 3.3Å; K467-K471 WeakPolarHBondContact O-CB 3.21Å; K467-K471 PolarHBondContact O-N 3.08Å; S468-K471 PolarHBondContact O-N 3.05Å; V469-K471 PolarHBondContact O-N 3.4Å; K471-Q474 PolarHBondContact O-N 3.21Å; K471-L475 HydrophobicContact CG-CD1 4.42Å; K471-L475 WeakPolarHBondContact O-CG 3.29Å; K471-L475 PolarHBondContact O-N 2.93Å
472	Q	49.6	Very low	51.3	Low	123 Å²	123	103.5 Å²	103.5	58%	0.575	49%	0.493	S	S	*	.	H	α-helix	trans	-72.1	-38.4	177.8	-169	166.4	-5.4	0	0	111.6	S468 V469 L475 Q476	S468-Q472 VanDerWaalsContact O-CB 3.25Å; S468-Q472 WeakPolarHBondContact O-CB 3.32Å; S468-Q472 PolarHBondContact O-N 2.86Å; V469-Q472 PolarHBondContact O-N 2.99Å; Q472-L475 PolarHBondContact O-N 3.48Å; Q472-Q476 WeakPolarHBondContact O-CG 3.46Å; Q472-Q476 PolarHBondContact O-N 2.88Å
473	Q	45.7	Very low	50.2	Low	104 Å²	104	103 Å²	103	49%	0.486	49%	0.486	S	S	.	.	H	α-helix	trans	-64.3	-41.3	169.9	-75.1	175.1	-30.2	0	0	112	V469 H470 Q476 H477	V469-Q473 HydrophobicContact CG1-CG 4.27Å; V469-Q473 WeakPolarHBondContact O-CB 3.45Å; V469-Q473 VanDerWaalsContact O-CG 3.29Å; V469-Q473 WeakPolarHBondContact O-CG 3.45Å; V469-Q473 PolarHBondContact O-N 2.89Å; H470-Q473 PolarHBondContact O-N 2.79Å; Q473-Q476 PolarHBondContact O-N 3.44Å; Q473-H477 WeakPolarHBondContact O-CB 3.45Å; Q473-H477 PolarHBondContact O-N 3.32Å
474	Q	50.7	Low	49	Very low	113 Å²	113	103.4 Å²	103.4	53%	0.528	49%	0.487	S	S	.	.	H	α-helix	trans	-62.1	-42.7	174.8	-80.3	176.5	-27	0	0	112	H470 K471 H477 Q478	H470-Q474 WeakPolarHBondContact O-CB 3.49Å; H470-Q474 VanDerWaalsContact O-CG 3.28Å; H470-Q474 WeakPolarHBondContact O-CG 3.45Å; H470-Q474 PolarHBondContact O-N 3.45Å; K471-Q474 PolarHBondContact O-N 3.21Å; Q474-H477 PolarHBondContact O-N 3.1Å; Q474-Q478 PolarHBondContact O-N 3.16Å
475	L	57.3	Low	48.5	Very low	87 Å²	87	102.3 Å²	102.3	46%	0.455	48%	0.48	S	S	.	.	H	α-helix	trans	-64.5	-47.9	175.4	-72.9	167.1	0	0	0	111.6	K471 Q472 H477 Q478 E479	K471-L475 HydrophobicContact CG-CD1 4.42Å; K471-L475 WeakPolarHBondContact O-CG 3.29Å; K471-L475 PolarHBondContact O-N 2.93Å; Q472-L475 PolarHBondContact O-N 3.48Å; L475-H477 PolarHBondContact O-N 3Å; L475-Q478 PolarHBondContact O-N 2.85Å; L475-E479 WeakPolarHBondContact O-CG 3.08Å; L475-E479 PolarHBondContact O-N 2.91Å
476	Q	45.4	Very low	48.4	Very low	119 Å²	119	100.5 Å²	100.5	56%	0.556	48%	0.476	S	S	*	.	H	α-helix	trans	-59.8	-35.4	174	-73.5	-176.5	-57.2	0	0	112.3	Q472 Q473 F480	Q472-Q476 WeakPolarHBondContact O-CG 3.46Å; Q472-Q476 PolarHBondContact O-N 2.88Å; Q473-Q476 PolarHBondContact O-N 3.44Å; Q476-F480 WeakPolarHBondContact O-CB 3.27Å; Q476-F480 PolarHBondContact O-N 2.95Å
477	H	45.7	Very low	48	Very low	107 Å²	107	104.2 Å²	104.2	50%	0.495	48%	0.481	S	S	.	.	H	α-helix	trans	-73	-35.7	177.6	-161.9	70	0	0	0	112.2	Q473 Q474 L475 Q481	Q473-H477 WeakPolarHBondContact O-CB 3.45Å; Q473-H477 PolarHBondContact O-N 3.32Å; Q474-H477 PolarHBondContact O-N 3.1Å; L475-H477 PolarHBondContact O-N 3Å; H477-Q481 PolarHBondContact CD2-NE2 2.92Å; H477-Q481 PolarHBondContact NE2-NE2 2.85Å; H477-Q481 WeakPolarHBondContact O-CB 3.22Å; H477-Q481 VanDerWaalsContact O-CG 3.27Å; H477-Q481 WeakPolarHBondContact O-CG 3.33Å; H477-Q481 PolarHBondContact O-N 3.36Å
478	Q	53	Low	47.8	Very low	131 Å²	131	101.3 Å²	101.3	61%	0.612	47%	0.472	S	S	*	.	H	α-helix	trans	-67.1	-43.7	170.8	-77.8	-171.6	-62.4	0	0	112.1	Q474 L475 Q481 R482	Q474-Q478 PolarHBondContact O-N 3.16Å; L475-Q478 PolarHBondContact O-N 2.85Å; Q478-Q481 PolarHBondContact O-N 2.99Å; Q478-R482 WeakPolarHBondContact O-CB 3.02Å; Q478-R482 PolarHBondContact O-N 3.41Å
479	E	51	Low	47.3	Very low	119 Å²	119	105.4 Å²	105.4	56%	0.556	49%	0.485	S	S	*	.	H	α-helix	trans	-62.8	-43.3	176.6	-72	176	164.3	0	0	111.3	L475 R482 Q483	L475-E479 WeakPolarHBondContact O-CG 3.08Å; L475-E479 PolarHBondContact O-N 2.91Å; E479-R482 PolarHBondContact O-N 2.78Å; E479-Q483 PolarHBondContact O-N 3.45Å
480	F	42.4	Very low	46.8	Very low	94 Å²	94	108.3 Å²	108.3	41%	0.412	50%	0.498	S	S	.	.	H	α-helix	trans	-61.1	-47.8	173.2	-177	-102.7	0	0	0	112.5	L193 Q476 R482 Q483 M484	L193-F480 HydrophobicContact CD1-CD2 3.73Å; L193-F480 HydrophobicContact CD1-CE2 4.09Å; L193-F480 HydrophobicContact CD2-CE2 4.34Å; Q476-F480 WeakPolarHBondContact O-CB 3.27Å; Q476-F480 PolarHBondContact O-N 2.95Å; F480-R482 PolarHBondContact O-N 3.39Å; F480-Q483 PolarHBondContact O-N 3.24Å; F480-M484 WeakPolarHBondContact O-CB 3.18Å; F480-M484 PolarHBondContact O-N 2.76Å
481	Q	43.1	Very low	46.2	Very low	54 Å²	54	108 Å²	108	25%	0.252	50%	0.5	S	S	.	.	H	α-helix	trans	-62.2	-41.4	177.6	-77.8	-173.5	19.6	0	0	111.7	H477 Q478 M484 E485	H477-Q481 PolarHBondContact CD2-NE2 2.92Å; H477-Q481 PolarHBondContact NE2-NE2 2.85Å; H477-Q481 WeakPolarHBondContact O-CB 3.22Å; H477-Q481 VanDerWaalsContact O-CG 3.27Å; H477-Q481 WeakPolarHBondContact O-CG 3.33Å; H477-Q481 PolarHBondContact O-N 3.36Å; Q478-Q481 PolarHBondContact O-N 2.99Å; Q481-M484 CarbonylContact O-C 3.43Å; Q481-M484 WeakPolarHBondContact O-CA 3.06Å; Q481-M484 WeakPolarHBondContact O-CB 3.31Å; Q481-M484 PolarHBondContact O-N 3.22Å; Q481-M484 VanDerWaalsContact O-N 3.09Å; Q481-E485 WeakPolarHBondContact O-CG 3.31Å; Q481-E485 PolarHBondContact O-N 3.04Å
482	R	49	Very low	45.5	Very low	147 Å²	147	108.2 Å²	108.2	56%	0.555	50%	0.503	S	S	*	.	H	α-helix	trans	-62.6	-44.3	177	-169.2	-172.9	67.4	142.9	6.2	112.1	Q478 E479 F480 M484 E485 E486	Q478-R482 WeakPolarHBondContact O-CB 3.02Å; Q478-R482 PolarHBondContact O-N 3.41Å; E479-R482 PolarHBondContact O-N 2.78Å; F480-R482 PolarHBondContact O-N 3.39Å; R482-M484 PolarHBondContact O-N 2.88Å; R482-E485 PolarHBondContact O-N 2.65Å; R482-E486 IonicContact CZ-OE1 2.71Å; R482-E486 IonicContact NE-OE1 3.82Å; R482-E486 WeakPolarHBondContact O-CG 3.31Å; R482-E486 PolarHBondContact O-N 3.04Å
483	Q	43.1	Very low	45	Very low	65 Å²	65	113 Å²	113	30%	0.304	52%	0.516	S	S	.	.	H	α-helix	trans	-62.4	-32.8	173.2	-73.9	-172.9	-31.7	0	0	112.3	E479 F480 R487	E479-Q483 PolarHBondContact O-N 3.45Å; F480-Q483 PolarHBondContact O-N 3.24Å; Q483-R487 WeakPolarHBondContact O-CG 3.32Å; Q483-R487 PolarHBondContact O-N 3.2Å
484	M	37.9	Very low	44.5	Very low	104 Å²	104	115.1 Å²	115.1	51%	0.512	53%	0.526	S	S	.	.	H	α-helix	trans	-70.9	-37	174.8	-151.6	-178.2	83.7	0	0	111.9	F480 Q481 R482 L488	F480-M484 WeakPolarHBondContact O-CB 3.18Å; F480-M484 PolarHBondContact O-N 2.76Å; Q481-M484 CarbonylContact O-C 3.43Å; Q481-M484 WeakPolarHBondContact O-CA 3.06Å; Q481-M484 WeakPolarHBondContact O-CB 3.31Å; Q481-M484 PolarHBondContact O-N 3.22Å; Q481-M484 VanDerWaalsContact O-N 3.09Å; R482-M484 PolarHBondContact O-N 2.88Å; M484-L488 WeakPolarHBondContact O-CB 3.27Å; M484-L488 PolarHBondContact O-N 3Å
485	E	44.9	Very low	43.6	Very low	82 Å²	82	116.3 Å²	116.3	38%	0.383	53%	0.532	S	S	.	.	H	α-helix	trans	-68.1	-46.3	174.6	-72	-178.2	145	0	0	112.3	Q481 R482 R487 L488 E489 K773	Q481-E485 WeakPolarHBondContact O-CG 3.31Å; Q481-E485 PolarHBondContact O-N 3.04Å; R482-E485 PolarHBondContact O-N 2.65Å; E485-R487 PolarHBondContact O-N 3.06Å; E485-L488 WeakPolarHBondContact O-CA 3.19Å; E485-L488 PolarHBondContact O-N 3.18Å; E485-E489 PolarHBondContact O-N 3.29Å; E485-K773 IonicContact OE1-NZ 3.25Å; E485-K773 PolarHBondContact OE1-NZ 2.97Å
486	E	50.2	Low	42.3	Very low	88 Å²	88	118.3 Å²	118.3	41%	0.411	55%	0.549	S	S	.	.	H	α-helix	trans	-57.5	-39.3	174.8	-72.3	166.5	167	0	0	111	R482 L490	R482-E486 IonicContact CZ-OE1 2.71Å; R482-E486 IonicContact NE-OE1 3.82Å; R482-E486 WeakPolarHBondContact O-CG 3.31Å; R482-E486 PolarHBondContact O-N 3.04Å; E486-L490 WeakPolarHBondContact O-CD1 3.43Å; E486-L490 VanDerWaalsContact O-CG 3.27Å; E486-L490 WeakPolarHBondContact O-CG 3.22Å; E486-L490 PolarHBondContact O-N 3.03Å
487	R	44.7	Very low	41.5	Very low	150 Å²	150	121.3 Å²	121.3	57%	0.566	56%	0.561	S	S	*	*	H	α-helix	trans	-70.6	-34.3	171.7	-75.3	-172.6	172.4	-148.5	-4	113.7	Q483 E485 L490 L491	Q483-R487 WeakPolarHBondContact O-CG 3.32Å; Q483-R487 PolarHBondContact O-N 3.2Å; E485-R487 PolarHBondContact O-N 3.06Å; R487-L490 PolarHBondContact O-N 3.24Å; R487-L491 VanDerWaalsContact O-CG 3.3Å; R487-L491 WeakPolarHBondContact O-CG 3.5Å; R487-L491 PolarHBondContact O-N 3.16Å
488	L	41.2	Very low	40.6	Very low	90 Å²	90	121.4 Å²	121.4	47%	0.471	57%	0.574	S	S	.	*	H	α-helix	trans	-70.4	-39.3	178.4	-153.9	78.6	0	0	0	111.8	M484 E485 L491 Q492	M484-L488 WeakPolarHBondContact O-CB 3.27Å; M484-L488 PolarHBondContact O-N 3Å; E485-L488 WeakPolarHBondContact O-CA 3.19Å; E485-L488 PolarHBondContact O-N 3.18Å; L488-L491 PolarHBondContact O-N 3.18Å; L488-Q492 WeakPolarHBondContact O-CG 3.25Å; L488-Q492 PolarHBondContact O-N 3.27Å
489	E	43	Very low	39.6	Very low	140 Å²	140	120 Å²	120	65%	0.654	58%	0.576	S	S	*	*	H	α-helix	trans	-63.7	-42.9	172.5	-70.9	-161.9	153.3	0	0	111.5	E485 L491 Q492 R493	E485-E489 PolarHBondContact O-N 3.29Å; E489-L491 VanDerWaalsContact C-N 3.26Å; E489-L491 PolarHBondContact O-N 3.07Å; E489-Q492 PolarHBondContact O-N 2.67Å; E489-R493 VanDerWaalsContact O-CB 3.25Å; E489-R493 WeakPolarHBondContact O-CB 3.1Å; E489-R493 PolarHBondContact O-N 2.67Å
490	L	42.6	Very low	38.6	Very low	105 Å²	105	118.9 Å²	118.9	55%	0.55	59%	0.587	S	S	.	*	H	α-helix	trans	-61	-33.8	174.5	-75.5	169.8	0	0	0	112.7	E486 R487 Q494	E486-L490 WeakPolarHBondContact O-CD1 3.43Å; E486-L490 VanDerWaalsContact O-CG 3.27Å; E486-L490 WeakPolarHBondContact O-CG 3.22Å; E486-L490 PolarHBondContact O-N 3.03Å; R487-L490 PolarHBondContact O-N 3.24Å; L490-Q494 WeakPolarHBondContact O-CG 3.36Å; L490-Q494 PolarHBondContact O-NE2 3.08Å
491	L	37.1	Very low	37.8	Very low	110 Å²	110	121.8 Å²	121.8	58%	0.576	61%	0.607	S	S	*	*	H	α-helix	trans	-76.2	-42.2	175	-74.3	166.6	0	0	0	112.6	R487 L488 E489 R493 Q494	R487-L491 VanDerWaalsContact O-CG 3.3Å; R487-L491 WeakPolarHBondContact O-CG 3.5Å; R487-L491 PolarHBondContact O-N 3.16Å; L488-L491 PolarHBondContact O-N 3.18Å; E489-L491 VanDerWaalsContact C-N 3.26Å; E489-L491 PolarHBondContact O-N 3.07Å; L491-R493 VanDerWaalsContact C-N 3.3Å; L491-R493 PolarHBondContact O-N 3.39Å; L491-Q494 PolarHBondContact O-N 3.08Å; L491-Q494 VanDerWaalsContact O-N 3.12Å
492	Q	37.7	Very low	37.2	Very low	140 Å²	140	125.3 Å²	125.3	65%	0.654	63%	0.632	S	S	*	*	H	α-helix	trans	-62.5	-38.7	175.1	-76.7	-174.1	-25.4	0	0	111.6	L488 E489 Q494 Q495	L488-Q492 WeakPolarHBondContact O-CG 3.25Å; L488-Q492 PolarHBondContact O-N 3.27Å; E489-Q492 PolarHBondContact O-N 2.67Å; Q492-Q494 PolarHBondContact O-N 2.79Å; Q492-Q494 VanDerWaalsContact O-N 3.13Å; Q492-Q495 PolarHBondContact O-N 3.29Å
493	R	39.3	Very low	36.2	Very low	224 Å²	224	121.8 Å²	121.8	85%	0.845	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-6.2	176	-162.3	170.3	-175.6	169.6	2.3	114.1	E489 L491	E489-R493 VanDerWaalsContact O-CB 3.25Å; E489-R493 WeakPolarHBondContact O-CB 3.1Å; E489-R493 PolarHBondContact O-N 2.67Å; L491-R493 VanDerWaalsContact C-N 3.3Å; L491-R493 PolarHBondContact O-N 3.39Å
494	Q	36	Very low	35.5	Very low	149 Å²	149	126.6 Å²	126.6	70%	0.696	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	0.9	175.9	-71.9	179.1	30.9	0	0	114.2	L490 L491 Q492 P496	L490-Q494 WeakPolarHBondContact O-CG 3.36Å; L490-Q494 PolarHBondContact O-NE2 3.08Å; L491-Q494 PolarHBondContact O-N 3.08Å; L491-Q494 VanDerWaalsContact O-N 3.12Å; Q492-Q494 PolarHBondContact O-N 2.79Å; Q492-Q494 VanDerWaalsContact O-N 3.13Å; Q494-P496 WeakPolarHBondContact O-CD 3.15Å
495	Q	30.2	Very low	35.1	Very low	138 Å²	138	126.2 Å²	126.2	65%	0.645	68%	0.682	S	S	*	*	S	Bend	trans	-83.1	120.2	170.6	-69.5	-158	-1.5	0	0	111.7	Q492 F497	Q492-Q495 PolarHBondContact O-N 3.29Å; Q495-F497 PolarHBondContact O-N 2.83Å; Q495-F497 VanDerWaalsContact O-N 3.07Å
496	P	31.3	Very low	35.3	Very low	128 Å²	128	128 Å²	128	83%	0.831	70%	0.701	S	S	*	*			trans	-82.9	86	-177.9	33.4	-34.9	0	0	0	111.8	Q494 S498	Q494-P496 WeakPolarHBondContact O-CD 3.15Å; P496-S498 PolarHBondContact O-N 3.1Å
497	F	28.5	Very low	34.2	Very low	182 Å²	182	132.2 Å²	132.2	80%	0.798	73%	0.726	S	S	*	*			trans	-73.2	111.8	158.9	-82	-88.3	0	0	0	109.3	Q495 P499	Q495-F497 PolarHBondContact O-N 2.83Å; Q495-F497 VanDerWaalsContact O-N 3.07Å; F497-P499 WeakPolarHBondContact O-CD 3.45Å
498	S	25.9	Very low	33.4	Very low	110 Å²	110	128.2 Å²	128.2	77%	0.769	73%	0.732	S	S	*	*			trans	-86.5	119.4	165.9	-168.7	0	0	0	0	108.9	P496	P496-S498 PolarHBondContact O-N 3.1Å
499	P	32.7	Very low	32.9	Very low	101 Å²	101	131.6 Å²	131.6	66%	0.656	75%	0.75	S	S	*	*			trans	-62.6	151.4	156.5	30.1	-32.8	0	0	0	108.8	F497	F497-P499 WeakPolarHBondContact O-CD 3.45Å
500	A	28.9	Very low	32.1	Very low	96 Å²	96	133.9 Å²	133.9	79%	0.793	76%	0.758	S	S	*	*			trans	-99.6	88.3	172.2	0	0	0	0	0	108.8	V502	A500-V502 PolarHBondContact O-N 3.42Å
501	D	27.5	Very low	31.5	Very low	154 Å²	154	134.9 Å²	134.9	82%	0.824	76%	0.764	S	S	*	*			trans	-63.9	116	168.7	-87.2	-44.1	0	0	0	109.8
502	V	30.5	Very low	31	Very low	128 Å²	128	136.4 Å²	136.4	78%	0.776	77%	0.772	S	S	*	*			trans	-116.4	71.6	163.3	-173.3	0	0	0	0	107.7	A500 L504	A500-V502 PolarHBondContact O-N 3.42Å; V502-L504 PolarHBondContact O-N 2.72Å
503	G	26.8	Very low	30.6	Very low	74 Å²	74	136.6 Å²	136.6	76%	0.763	78%	0.783	S	S	*	*			trans	-75.1	111.4	171.1	0	0	0	0	0	110.7
504	L	28.6	Very low	30	Very low	166 Å²	166	129.7 Å²	129.7	87%	0.869	77%	0.773	S	S	*	*			trans	-114.3	126.4	159.1	-80	170.3	0	0	0	108.6	V502	V502-L504 PolarHBondContact O-N 2.72Å
505	A	29.1	Very low	29.6	Very low	96 Å²	96	133.7 Å²	133.7	79%	0.793	78%	0.782	S	S	*	*			trans	-86.8	162.5	-178.6	0	0	0	0	0	111.2
506	P	49.9	Very low	29.3	Very low	119 Å²	119	132.7 Å²	132.7	77%	0.773	79%	0.786	S	S	*	*			trans	-96.1	149.7	-159.5	36.7	-35.6	0	0	0	115.3
507	D	27	Very low	29.1	Very low	176 Å²	176	137.5 Å²	137.5	94%	0.941	79%	0.787	S	S	*	*			trans	-168.3	146.9	151.2	-85.6	-38.1	0	0	0	105.4
508	G	28.7	Very low	29	Very low	67 Å²	67	133.3 Å²	133.3	69%	0.691	78%	0.78	S	S	*	*			cis	179.7	139.4	-9.9	0	0	0	0	0	110.1
509	D	28.8	Very low	29	Very low	160 Å²	160	134.7 Å²	134.7	86%	0.856	78%	0.779	S	S	*	*			trans	54.1	106.8	158.7	-72.3	-4.7	0	0	0	123.7
510	F	27.3	Very low	28.6	Very low	188 Å²	188	136.3 Å²	136.3	83%	0.825	79%	0.792	S	S	*	*				101.3	139.5	109.4	-147.4	-131.6	0	0	0	122.4
511	L	30.2	Very low	28.8	Very low	127 Å²	127	136.7 Å²	136.7	67%	0.665	79%	0.789	S	S	*	*			trans	75.9	109.7	166.3	-70.6	166.7	0	0	0	123.4
512	D	27	Very low	28.7	Very low	141 Å²	141	136.3 Å²	136.3	75%	0.754	79%	0.786	S	S	*	*				26.8	129.1	120.2	-88.6	-41.9	0	0	0	121.5
513	V	27.5	Very low	28.8	Very low	145 Å²	145	138.2 Å²	138.2	88%	0.879	79%	0.786	S	S	*	*				-169.2	149.8	92.8	149.4	0	0	0	0	109.2
514	A	27.6	Very low	28.9	Very low	78 Å²	78	139.3 Å²	139.3	65%	0.645	78%	0.783	S	S	*	*			trans	-114	149.7	-179	0	0	0	0	0	114.6
515	R	26.9	Very low	28.9	Very low	234 Å²	234	136.7 Å²	136.7	88%	0.883	78%	0.778	S	S	*	*			trans	103	149.9	153.4	-61.1	-179.5	169.8	167.9	-1.6	120.5
516	T	25.1	Very low	29.8	Very low	117 Å²	117	137.3 Å²	137.3	72%	0.718	77%	0.774	S	S	*	*			trans	83.9	112.9	146.5	26.7	0	0	0	0	121.9
517	R	26.1	Very low	28.8	Very low	228 Å²	228	138.9 Å²	138.9	86%	0.86	78%	0.776	S	S	*	*			trans	64	127.7	138.1	-71.8	177.4	175.8	173.9	-3.6	117.6
518	S	27.3	Very low	28.8	Very low	94 Å²	94	136.7 Å²	136.7	66%	0.657	77%	0.768	S	S	*	*				67.8	108.7	61.7	-161	0	0	0	0	111.6
519	D	25.6	Very low	28.9	Very low	139 Å²	139	139.7 Å²	139.7	74%	0.743	77%	0.774	S	S	*	*				-173.4	151.1	100.6	-80.1	-19.6	0	0	0	111.1
520	C	25.3	Very low	29.7	Very low	136 Å²	136	137 Å²	137	92%	0.919	77%	0.765	S	S	*	*			trans	-144.9	104.2	169.1	-90.8	0	0	0	0	109.1
521	S	31.4	Very low	29.7	Very low	104 Å²	104	136.7 Å²	136.7	73%	0.727	77%	0.766	S	S	*	*			trans	-162.1	133.9	165.5	60.8	0	0	0	0	111.1
522	D	27.1	Very low	29.5	Very low	145 Å²	145	134.3 Å²	134.3	78%	0.775	76%	0.764	S	S	*	*			trans	-148.7	120.9	142.4	-100.9	-32.4	0	0	0	109.6
523	H	30.9	Very low	29.6	Very low	168 Å²	168	132.8 Å²	132.8	78%	0.778	76%	0.764	S	S	*	*			trans	15	145.8	146.9	-52.6	-54.8	0	0	0	121.5
524	S	28.9	Very low	29.8	Very low	98 Å²	98	131.8 Å²	131.8	69%	0.685	75%	0.754	S	S	*	*			cis	-177.9	147.3	-7.7	50.7	0	0	0	0	111.8
525	S	28.8	Very low	30.1	Very low	111 Å²	111	135.5 Å²	135.5	78%	0.776	76%	0.758	S	S	*	*			trans	37.3	156.9	135.5	-57.7	0	0	0	0	123.5
526	P	49.3	Very low	30.4	Very low	109 Å²	109	128.9 Å²	128.9	71%	0.708	75%	0.748	S	S	*	*			cis	-146.6	176	-32.8	39.7	-21	0	0	0	116.4
527	N	27.5	Very low	30.5	Very low	152 Å²	152	129.7 Å²	129.7	81%	0.813	75%	0.748	S	S	*	*			trans	83.6	149.7	135.3	-101.8	-1.9	0	0	0	125.5
528	V	28.4	Very low	30.7	Very low	129 Å²	129	125.7 Å²	125.7	78%	0.782	74%	0.742	S	S	*	*			trans	82.9	106.7	152.2	173.1	0	0	0	0	120.1
529	T	29.4	Very low	30.7	Very low	130 Å²	130	125.5 Å²	125.5	80%	0.798	74%	0.741	S	S	*	*			trans	-78.2	166.2	155.3	40.9	0	0	0	0	110.6
530	P	46	Very low	30.8	Very low	104 Å²	104	125.1 Å²	125.1	68%	0.675	74%	0.744	S	S	*	*			cis	-154.1	-173.7	44.1	44.5	-22.1	0	0	0	118.7
531	H	26.7	Very low	31	Very low	182 Å²	182	123.5 Å²	123.5	84%	0.843	73%	0.734	S	S	*	*			trans	34.4	139.6	144.1	-70.4	-36	0	0	0	121.5
532	A	27.4	Very low	30.9	Very low	76 Å²	76	128 Å²	128	63%	0.628	74%	0.744	S	S	*	*			cis	-173.1	175.4	1.9	0	0	0	0	0	110.7
533	S	29.6	Very low	31	Very low	109 Å²	109	128.1 Å²	128.1	76%	0.762	75%	0.749	S	S	*	*			trans	71.6	155.8	158	87.6	0	0	0	0	116.4
534	N	31.6	Very low	30.8	Very low	124 Å²	124	123.7 Å²	123.7	66%	0.663	75%	0.749	S	S	*	*			cis	-165.4	169.2	-26.8	-119.3	19.9	0	0	0	108.5
535	H	33.3	Very low	30.6	Very low	156 Å²	156	124.1 Å²	124.1	72%	0.722	75%	0.752	S	S	*	*			trans	64	106.8	162.2	-59.9	-49.6	0	0	0	116
536	S	33	Very low	30.5	Very low	96 Å²	96	122.9 Å²	122.9	67%	0.671	74%	0.744	S	S	*	*				77.2	147.5	81.4	86.8	0	0	0	0	113.5
537	N	28	Very low	29.4	Very low	133 Å²	133	125.8 Å²	125.8	71%	0.711	75%	0.751	S	S	*	*			cis	-166.9	161.6	11.8	-135.9	-2.7	0	0	0	111
538	L	28.9	Very low	29.5	Very low	144 Å²	144	127.1 Å²	127.1	75%	0.754	75%	0.746	S	S	*	*			trans	62.6	160.5	159.6	-87.7	74	0	0	0	117.5
539	S	27.3	Very low	29.5	Very low	91 Å²	91	130.6 Å²	130.6	64%	0.636	75%	0.754	S	S	*	*			cis	-176.6	-178.3	-29.9	51.2	0	0	0	0	110.6
540	V	27.4	Very low	29.7	Very low	130 Å²	130	131.9 Å²	131.9	79%	0.788	75%	0.75	S	S	*	*			trans	87.7	109	165.5	-168.2	0	0	0	0	116.1
541	S	31.2	Very low	29.1	Very low	103 Å²	103	136.1 Å²	136.1	72%	0.72	76%	0.761	S	S	*	*			trans	-51.2	157.1	163.6	50.5	0	0	0	0	116.5
542	E	28.1	Very low	29.4	Very low	198 Å²	198	135.4 Å²	135.4	93%	0.925	76%	0.764	S	S	*	*			trans	-143.2	166.5	141.9	-143.7	165.1	-142.6	0	0	110.9
543	V	29.3	Very low	29.6	Very low	147 Å²	147	135.3 Å²	135.3	89%	0.891	77%	0.77	S	S	*	*			trans	-121.1	129.9	-169.3	174.3	0	0	0	0	110.1
544	G	26.9	Very low	30.1	Very low	76 Å²	76	139.4 Å²	139.4	78%	0.784	78%	0.777	S	S	*	*			trans	-162	77.9	-173	0	0	0	0	0	116.7
545	S	24.8	Very low	30.6	Very low	106 Å²	106	142.2 Å²	142.2	74%	0.741	79%	0.786	S	S	*	*			trans	24.1	116.7	153	-144.4	0	0	0	0	121.6
546	S	25.7	Very low	31.1	Very low	86 Å²	86	140.7 Å²	140.7	60%	0.601	78%	0.784	S	S	*	*			trans	46	124.5	130.9	66.8	0	0	0	0	121.7
547	I	27.2	Very low	32	Very low	169 Å²	169	142.4 Å²	142.4	87%	0.867	78%	0.779	S	S	*	*				-153.7	149.5	104	-100.4	156.9	0	0	0	108.7
548	Y	29.6	Very low	34.1	Very low	180 Å²	180	140.5 Å²	140.5	71%	0.706	78%	0.776	S	S	*	*			trans	-89.3	144.5	-177.5	-63.2	-98.1	0	0	0	111.8	H550	Y548-H550 AromaticContact CD1-CD2 3.74Å
549	E	28.5	Very low	36.8	Very low	203 Å²	203	136.6 Å²	136.6	95%	0.949	76%	0.758	S	S	*	*				-133.3	147	116.2	-69.1	-160.9	135.8	0	0	108.1
550	H	33.3	Very low	39.9	Very low	156 Å²	156	134.2 Å²	134.2	72%	0.722	74%	0.74	S	S	*	*			trans	-115.1	136.2	179.1	-99.5	-81	0	0	0	108.5	Y548	Y548-H550 AromaticContact CD1-CD2 3.74Å
551	E	33.5	Very low	43	Very low	193 Å²	193	136.4 Å²	136.4	90%	0.902	73%	0.734	S	S	*	*			trans	-127.5	139.1	143.5	-74	-163.1	142.4	0	0	109.5
552	D	32.8	Very low	46	Very low	168 Å²	168	132 Å²	132	90%	0.898	70%	0.703	S	S	*	*			trans	-32.2	131.7	-169.6	-58	-29	0	0	0	118.8
553	G	32.6	Very low	49.1	Very low	74 Å²	74	124.6 Å²	124.6	76%	0.763	68%	0.679	S	S	*	*			trans	-106.9	129	159.4	0	0	0	0	0	110.7
554	E	38.7	Very low	52.1	Low	195 Å²	195	121.4 Å²	121.4	91%	0.911	66%	0.657	S	S	*	*			trans	-66.7	133.2	168.3	-63.5	-171.3	120.5	0	0	110.2	D556	E554-D556 VanDerWaalsContact C-N 3.28Å; E554-D556 PolarHBondContact O-N 3.1Å
555	E	42.8	Very low	55.4	Low	182 Å²	182	117.8 Å²	117.8	85%	0.85	62%	0.62	S	S	*	*			trans	-72.3	85.2	169.4	-72.6	-167.1	147	0	0	110	F557	E555-F557 WeakPolarHBondContact O-CD2 3.42Å; E555-F557 PolarHBondContact O-N 3.38Å
556	D	44.1	Very low	58.8	Low	125 Å²	125	114.6 Å²	114.6	67%	0.668	60%	0.596	S	S	*	*			trans	-62.4	126.4	178.9	-174.3	20.5	0	0	0	111.2	E554 S558	E554-D556 VanDerWaalsContact C-N 3.28Å; E554-D556 PolarHBondContact O-N 3.1Å; D556-S558 VanDerWaalsContact C-N 3.27Å; D556-S558 PolarHBondContact O-N 3.29Å
557	F	51.8	Low	62.2	Low	132 Å²	132	110.8 Å²	110.8	58%	0.579	57%	0.569	S	S	*	*			trans	-79.3	84	177.8	-88.3	-115	0	0	0	108.6	E555 T559 K570	E555-F557 WeakPolarHBondContact O-CD2 3.42Å; E555-F557 PolarHBondContact O-N 3.38Å; F557-T559 PolarHBondContact O-N 3.21Å; F557-K570 HydrophobicContact CB-CD 4.39Å; F557-K570 VanDerWaalsContact CG-NZ 3.3Å
558	S	70.7	Confident	65.2	Low	92 Å²	92	106.2 Å²	106.2	64%	0.643	54%	0.543	S	S	*	.			trans	-36.5	129.3	-168.6	59.3	0	0	0	0	115	D556 V560	D556-S558 VanDerWaalsContact C-N 3.27Å; D556-S558 PolarHBondContact O-N 3.29Å; S558-V560 PolarHBondContact O-N 2.91Å
559	T	86.6	Confident	68.1	Low	62 Å²	62	100.3 Å²	100.3	38%	0.38	53%	0.527	S	S	.	.			trans	-55.6	122.7	175.4	-48.5	0	0	0	0	110.3	F557 R561 H568	F557-T559 PolarHBondContact O-N 3.21Å; T559-R561 PolarHBondContact O-N 2.49Å; T559-H568 PolarHBondContact OG1-CE1 3.47Å
560	V	92	Very high	71	Confident	42 Å²	42	97.5 Å²	97.5	26%	0.255	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	126.9	175.7	177	0	0	0	0	108.4	S558 V562 T566 F567 P569	S558-V560 PolarHBondContact O-N 2.91Å; V560-V562 HydrophobicContact CG1-CG2 4.17Å; V560-T566 CarbonylContact O-C 3.52Å; V560-T566 WeakPolarHBondContact O-CA 3.06Å; V560-F567 HydrophobicContact CB-CD1 4.2Å; V560-F567 HydrophobicContact CB-CE1 3.73Å; V560-F567 HydrophobicContact CB-CE2 4.22Å; V560-F567 HydrophobicContact CB-CZ 3.74Å; V560-F567 HydrophobicContact CG1-CD1 4.31Å; V560-F567 HydrophobicContact CG1-CE1 3.46Å; V560-F567 VanDerWaalsContact CG1-CE1 3.46Å; V560-F567 HydrophobicContact CG1-CZ 3.6Å; V560-F567 HydrophobicContact CG2-CZ 4.29Å; V560-F567 PolarHBondContact N-O 3.14Å; V560-F567 PolarHBondContact O-N 2.69Å; V560-P569 HydrophobicContact CG2-CG 3.55Å
561	R	93.5	Very high	73.7	Confident	176 Å²	176	94.1 Å²	94.1	66%	0.664	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.2	126	175.9	-179.4	173.6	-179.2	173.5	3.1	110.2	T559 G563 I565 T566	T559-R561 PolarHBondContact O-N 2.49Å; R561-G563 PolarHBondContact NE-O 2.72Å; R561-I565 WeakPolarHBondContact CA-O 3.23Å; R561-T566 HydrophobicContact CB-CG2 4.02Å; R561-T566 HydrophobicContact CG-CG2 3.84Å
562	V	93.6	Very high	76.6	Confident	11 Å²	11	87.9 Å²	87.9	7%	0.067	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	106.7	174.2	-172.1	0	0	0	0	107.5	V560 N564 I565 E628 D630 Y635	V560-V562 HydrophobicContact CG1-CG2 4.17Å; V562-N564 PolarHBondContact O-N 3.46Å; V562-I565 PolarHBondContact N-O 3.25Å; V562-I565 PolarHBondContact O-N 2.83Å; V562-E628 HydrophobicContact CG1-CB 4.06Å; V562-E628 WeakPolarHBondContact O-CG 3.2Å; V562-D630 HydrophobicContact CG1-CB 4.06Å; V562-Y635 HydrophobicContact CB-CD2 4.17Å; V562-Y635 HydrophobicContact CB-CE2 4.22Å; V562-Y635 HydrophobicContact CG1-CD2 3.99Å; V562-Y635 HydrophobicContact CG1-CE2 4.13Å; V562-Y635 HydrophobicContact CG2-CD2 4.13Å; V562-Y635 HydrophobicContact CG2-CE2 3.68Å
563	G	92.2	Very high	79.3	Confident	41 Å²	41	84.4 Å²	84.4	42%	0.423	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	-118.6	-169.9	0	0	0	0	0	112.2	R561 E628	R561-G563 PolarHBondContact NE-O 2.72Å; G563-E628 WeakPolarHBondContact CA-OE1 3.32Å
564	N	93.1	Very high	81.7	Confident	80 Å²	80	82 Å²	82	43%	0.428	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-6.4	175.7	-82.4	20.2	0	0	0	114.5	V562 F587 D588 E628	V562-N564 PolarHBondContact O-N 3.46Å; N564-F587 HydrophobicContact CB-CD2 3.77Å; N564-F587 HydrophobicContact CB-CE2 3.62Å; N564-D588 PolarHBondContact ND2-OD1 3.32Å; N564-E628 PolarHBondContact N-OE1 3.27Å
565	I	96.9	Very high	83.8	Confident	0 Å²	0	79.2 Å²	79.2	0%	0	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	133.6	174.1	-62.3	175.3	0	0	0	109.9	R561 V562 F567 F587 V594 C626 E628 A637	R561-I565 WeakPolarHBondContact CA-O 3.23Å; V562-I565 PolarHBondContact N-O 3.25Å; V562-I565 PolarHBondContact O-N 2.83Å; I565-F567 HydrophobicContact CG2-CD1 4.41Å; I565-F587 HydrophobicContact CG1-CD2 4.21Å; I565-V594 HydrophobicContact CG2-CB 4.43Å; I565-V594 HydrophobicContact CG2-CG1 3.81Å; I565-V594 HydrophobicContact CG2-CG2 3.68Å; I565-C626 VanDerWaalsContact CG1-SG 3.6Å; I565-E628 HydrophobicContact CD1-CB 3.92Å; I565-E628 HydrophobicContact CD1-CG 3.77Å; I565-E628 HydrophobicContact CG1-CB 4.43Å; I565-E628 HydrophobicContact CG1-CG 3.86Å; I565-A637 HydrophobicContact CD1-CB 4Å; I565-A637 HydrophobicContact CG1-CB 4.25Å
566	T	96.2	Very high	85.1	Confident	39 Å²	39	72.6 Å²	72.6	24%	0.239	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	142.2	168.9	57.2	0	0	0	0	111.5	V560 R561 G585 Q586	V560-T566 CarbonylContact O-C 3.52Å; V560-T566 WeakPolarHBondContact O-CA 3.06Å; R561-T566 HydrophobicContact CB-CG2 4.02Å; R561-T566 HydrophobicContact CG-CG2 3.84Å; T566-G585 CarbonylContact O-C 3.53Å; T566-G585 WeakPolarHBondContact O-CA 3.35Å; T566-Q586 PolarHBondContact N-O 3.1Å; T566-Q586 PolarHBondContact O-N 2.57Å
567	F	95.7	Very high	86.1	Confident	7 Å²	7	70.4 Å²	70.4	3%	0.031	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	159.3	173.7	69.1	-80	0	0	0	112.2	V560 I565 P569 Y583 V594 Y635	V560-F567 HydrophobicContact CB-CD1 4.2Å; V560-F567 HydrophobicContact CB-CE1 3.73Å; V560-F567 HydrophobicContact CB-CE2 4.22Å; V560-F567 HydrophobicContact CB-CZ 3.74Å; V560-F567 HydrophobicContact CG1-CD1 4.31Å; V560-F567 HydrophobicContact CG1-CE1 3.46Å; V560-F567 VanDerWaalsContact CG1-CE1 3.46Å; V560-F567 HydrophobicContact CG1-CZ 3.6Å; V560-F567 HydrophobicContact CG2-CZ 4.29Å; V560-F567 PolarHBondContact N-O 3.14Å; V560-F567 PolarHBondContact O-N 2.69Å; I565-F567 HydrophobicContact CG2-CD1 4.41Å; F567-P569 HydrophobicContact CE2-CG 4.34Å; F567-Y583 AromaticContact CD2-CD1 3.9Å; F567-Y583 HydrophobicContact CD2-CD1 3.9Å; F567-Y583 AromaticContact CD2-CD2 3.82Å; F567-Y583 HydrophobicContact CD2-CD2 3.82Å; F567-Y583 HydrophobicContact CD2-CE1 4.5Å; F567-Y583 HydrophobicContact CD2-CE2 4.43Å; F567-Y583 AromaticContact CD2-CG 3.52Å; F567-Y583 HydrophobicContact CD2-CG 3.52Å; F567-Y583 HydrophobicContact CE2-CD1 4Å; F567-Y583 AromaticContact CE2-CD2 3.65Å; F567-Y583 HydrophobicContact CE2-CD2 3.65Å; F567-Y583 HydrophobicContact CE2-CE1 4.16Å; F567-Y583 AromaticContact CE2-CE2 3.82Å; F567-Y583 HydrophobicContact CE2-CE2 3.82Å; F567-Y583 AromaticContact CE2-CG 3.75Å; F567-Y583 HydrophobicContact CE2-CG 3.75Å; F567-Y583 HydrophobicContact CG-CG 4.44Å; F567-Y583 HydrophobicContact CZ-CD2 4.37Å; F567-Y583 HydrophobicContact CZ-CE2 4.41Å; F567-V594 HydrophobicContact CB-CG2 4.38Å; F567-V594 HydrophobicContact CD1-CG1 4.16Å; F567-Y635 AromaticContact CE1-CD1 3.94Å; F567-Y635 HydrophobicContact CE1-CD1 3.94Å; F567-Y635 AromaticContact CE1-CE1 3.46Å; F567-Y635 HydrophobicContact CE1-CE1 3.46Å; F567-Y635 VanDerWaalsContact CE1-CE1 3.46Å; F567-Y635 HydrophobicContact CZ-CD1 4.42Å; F567-Y635 AromaticContact CZ-CE1 3.62Å; F567-Y635 HydrophobicContact CZ-CE1 3.62Å
568	H	91.7	Very high	86.9	Confident	72 Å²	72	69.7 Å²	69.7	33%	0.333	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	124.4	172	-65.4	-88.9	0	0	0	109.9	T559 K570 Q571	T559-H568 PolarHBondContact OG1-CE1 3.47Å; H568-K570 PolarHBondContact O-N 3.22Å; H568-Q571 HydrophobicContact CB-CG 4.14Å; H568-Q571 PolarHBondContact O-N 2.91Å
569	P	90	Very high	86.8	Confident	57 Å²	57	67.3 Å²	67.3	37%	0.37	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	-23.4	179.8	-29	36.7	0	0	0	115.1	V560 F567 Q571	V560-P569 HydrophobicContact CG2-CG 3.55Å; F567-P569 HydrophobicContact CE2-CG 4.34Å; P569-Q571 VanDerWaalsContact C-N 3.34Å
570	K	89.1	Confident	86.6	Confident	144 Å²	144	65.1 Å²	65.1	63%	0.626	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	-21.2	175	-66.3	177.9	179.1	171	0	113.5	F557 H568 V572	F557-K570 HydrophobicContact CB-CD 4.39Å; F557-K570 VanDerWaalsContact CG-NZ 3.3Å; H568-K570 PolarHBondContact O-N 3.22Å; K570-V572 PolarHBondContact O-N 2.93Å
571	Q	91.1	Very high	86.5	Confident	85 Å²	85	65.6 Å²	65.6	40%	0.397	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	59.9	-177.2	-61.7	-172.3	23.4	0	0	111.7	H568 P569 Y583 K584	H568-Q571 HydrophobicContact CB-CG 4.14Å; H568-Q571 PolarHBondContact O-N 2.91Å; P569-Q571 VanDerWaalsContact C-N 3.34Å; Q571-Y583 CarbonylContact O-C 3.57Å; Q571-Y583 WeakPolarHBondContact O-CA 3.3Å; Q571-K584 HydrophobicContact CB-CB 4.07Å; Q571-K584 PolarHBondContact O-N 3.39Å
572	V	93.1	Very high	86.5	Confident	62 Å²	62	58.9 Å²	58.9	38%	0.376	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	129.7	174.7	-176	0	0	0	0	109.9	K570 Y583	K570-V572 PolarHBondContact O-N 2.93Å; V572-Y583 HydrophobicContact CG2-CD1 3.95Å; V572-Y583 HydrophobicContact CG2-CE1 3.78Å
573	L	89.1	Confident	86.6	Confident	94 Å²	94	59 Å²	59	49%	0.492	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-31.4	173	-64.3	174.9	0	0	0	112	V582 K584 A593 L640	L573-V582 HydrophobicContact CB-CG1 4.28Å; L573-V582 HydrophobicContact CD1-CG1 4.37Å; L573-V582 PolarHBondContact N-O 3.06Å; L573-K584 HydrophobicContact CD1-CB 4.06Å; L573-K584 HydrophobicContact CD2-CB 4.15Å; L573-K584 HydrophobicContact CG-CB 4.08Å; L573-A593 HydrophobicContact CD1-CB 4.16Å; L573-L640 HydrophobicContact CD1-CD1 3.54Å
574	G	84.2	Confident	86.8	Confident	24 Å²	24	61.5 Å²	61.5	25%	0.247	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.9	174.1	-179.4	0	0	0	0	0	114.2	V582	G574-V582 PolarHBondContact N-O 2.95Å; G574-V582 PolarHBondContact O-N 2.79Å
575	H	82.1	Confident	87	Confident	137 Å²	137	58 Å²	58	63%	0.634	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.3	140.7	177.6	-60.5	85.2	0	0	0	109.1
576	G	69.9	Low	87	Confident	43 Å²	43	62.8 Å²	62.8	44%	0.443	35%	0.352	S	S	.	.			trans	-112.1	-174.2	175.2	0	0	0	0	0	112.1	T580	G576-T580 PolarHBondContact N-O 3.19Å
577	A	65.6	Low	87	Confident	78 Å²	78	62.4 Å²	62.4	65%	0.645	35%	0.347	S	S	*	.	S	Bend	trans	-64.6	162.7	171.1	0	0	0	0	0	111.9	G579 T580	A577-G579 PolarHBondContact O-N 2.87Å; A577-G579 VanDerWaalsContact O-N 3.16Å; A577-T580 VanDerWaalsContact O-CB 3.23Å; A577-T580 WeakPolarHBondContact O-CB 3.28Å; A577-T580 PolarHBondContact O-N 3.33Å; A577-T580 PolarHBondContact O-OG1 2.9Å
578	E	68	Low	86.8	Confident	118 Å²	118	66.8 Å²	66.8	55%	0.551	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	37.3	172.3	-52.1	-172.8	159.7	0	0	114	T580 L598 C601	E578-T580 PolarHBondContact O-N 3.27Å; E578-L598 WeakPolarHBondContact O-CD1 3.3Å; E578-C601 VanDerWaalsContact CB-SG 3.56Å; E578-C601 PolarHBondContact OE2-SG 3.43Å
579	G	70.2	Confident	86.7	Confident	41 Å²	41	70.7 Å²	70.7	42%	0.423	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	7.2	177.7	0	0	0	0	0	115.4	A577	A577-G579 PolarHBondContact O-N 2.87Å; A577-G579 VanDerWaalsContact O-N 3.16Å
580	T	81.9	Confident	86.9	Confident	16 Å²	16	72.8 Å²	72.8	10%	0.098	39%	0.394	C	S	.	.			trans	-59.6	134.8	176.1	-58.7	0	0	0	0	110.9	G576 A577 E578 K595 R596 I597	G576-T580 PolarHBondContact N-O 3.19Å; A577-T580 VanDerWaalsContact O-CB 3.23Å; A577-T580 WeakPolarHBondContact O-CB 3.28Å; A577-T580 PolarHBondContact O-N 3.33Å; A577-T580 PolarHBondContact O-OG1 2.9Å; E578-T580 PolarHBondContact O-N 3.27Å; T580-K595 HydrophobicContact CG2-CD 4.33Å; T580-K595 HydrophobicContact CG2-CG 3.66Å; T580-R596 WeakPolarHBondContact CA-O 3.46Å; T580-I597 HydrophobicContact CG2-CG1 4.29Å
581	M	89.8	Confident	87.2	Confident	53 Å²	53	69.6 Å²	69.6	26%	0.261	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	141.2	175.1	-72.6	179.1	173.8	0	0	110.5	Y583 R596	M581-Y583 HydrophobicContact CB-CE2 3.74Å; M581-Y583 PolarHBondContact SD-OH 2.6Å; M581-R596 PolarHBondContact N-O 2.73Å; M581-R596 VanDerWaalsContact N-O 3.09Å; M581-R596 PolarHBondContact O-N 2.74Å; M581-R596 PolarHBondContact SD-NH2 2.81Å
582	V	93.8	Very high	87.5	Confident	35 Å²	35	65.5 Å²	65.5	21%	0.212	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	124.5	176.9	-172.8	0	0	0	0	109	L573 G574 A593 V594 K595	L573-V582 HydrophobicContact CB-CG1 4.28Å; L573-V582 HydrophobicContact CD1-CG1 4.37Å; L573-V582 PolarHBondContact N-O 3.06Å; G574-V582 PolarHBondContact N-O 2.95Å; G574-V582 PolarHBondContact O-N 2.79Å; V582-A593 HydrophobicContact CG1-CB 4.01Å; V582-V594 WeakPolarHBondContact CA-O 3.41Å; V582-K595 HydrophobicContact CG2-CG 4.29Å
583	Y	95.9	Very high	87.7	Confident	12 Å²	12	63 Å²	63	5%	0.047	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	157.3	179.5	-54.2	-89.9	0	0	0	111.3	F567 Q571 V572 M581 A593 V594 R596	F567-Y583 AromaticContact CD2-CD1 3.9Å; F567-Y583 HydrophobicContact CD2-CD1 3.9Å; F567-Y583 AromaticContact CD2-CD2 3.82Å; F567-Y583 HydrophobicContact CD2-CD2 3.82Å; F567-Y583 HydrophobicContact CD2-CE1 4.5Å; F567-Y583 HydrophobicContact CD2-CE2 4.43Å; F567-Y583 AromaticContact CD2-CG 3.52Å; F567-Y583 HydrophobicContact CD2-CG 3.52Å; F567-Y583 HydrophobicContact CE2-CD1 4Å; F567-Y583 AromaticContact CE2-CD2 3.65Å; F567-Y583 HydrophobicContact CE2-CD2 3.65Å; F567-Y583 HydrophobicContact CE2-CE1 4.16Å; F567-Y583 AromaticContact CE2-CE2 3.82Å; F567-Y583 HydrophobicContact CE2-CE2 3.82Å; F567-Y583 AromaticContact CE2-CG 3.75Å; F567-Y583 HydrophobicContact CE2-CG 3.75Å; F567-Y583 HydrophobicContact CG-CG 4.44Å; F567-Y583 HydrophobicContact CZ-CD2 4.37Å; F567-Y583 HydrophobicContact CZ-CE2 4.41Å; Q571-Y583 CarbonylContact O-C 3.57Å; Q571-Y583 WeakPolarHBondContact O-CA 3.3Å; V572-Y583 HydrophobicContact CG2-CD1 3.95Å; V572-Y583 HydrophobicContact CG2-CE1 3.78Å; M581-Y583 HydrophobicContact CB-CE2 3.74Å; M581-Y583 PolarHBondContact SD-OH 2.6Å; Y583-A593 WeakPolarHBondContact O-CA 3.33Å; Y583-V594 PolarHBondContact N-O 2.75Å; Y583-V594 PolarHBondContact O-N 3.18Å; Y583-R596 HydrophobicContact CD2-CB 4.37Å; Y583-R596 HydrophobicContact CE2-CB 3.81Å
584	K	96.4	Very high	88.1	Confident	94 Å²	94	58.5 Å²	58.5	41%	0.409	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	129.2	162.8	-171.7	176.5	173.4	-174.2	0	108.9	Q571 L573 L640	Q571-K584 HydrophobicContact CB-CB 4.07Å; Q571-K584 PolarHBondContact O-N 3.39Å; L573-K584 HydrophobicContact CD1-CB 4.06Å; L573-K584 HydrophobicContact CD2-CB 4.15Å; L573-K584 HydrophobicContact CG-CB 4.08Å; K584-L640 HydrophobicContact CG-CD2 4.24Å
585	G	96.3	Very high	88.6	Confident	8 Å²	8	58.2 Å²	58.2	8%	0.082	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	-168.5	-178.3	0	0	0	0	0	113.2	T566 V592	T566-G585 CarbonylContact O-C 3.53Å; T566-G585 WeakPolarHBondContact O-CA 3.35Å; G585-V592 PolarHBondContact N-O 3.41Å; G585-V592 PolarHBondContact O-N 2.95Å
586	Q	96.6	Very high	89.1	Confident	100 Å²	100	53.9 Å²	53.9	47%	0.467	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	152.1	173.9	-58.6	-179.8	10.5	0	0	110.7	T566 R590	T566-Q586 PolarHBondContact N-O 3.1Å; T566-Q586 PolarHBondContact O-N 2.57Å; Q586-R590 CarbonylContact C-O 3.58Å; Q586-R590 WeakPolarHBondContact CA-O 3.18Å
587	F	96.4	Very high	90.1	Very high	31 Å²	31	52.1 Å²	52.1	14%	0.136	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	127.4	169.8	166.3	-103.5	0	0	0	107.3	N564 I565 N589 R590 V592 F625 C626 A637	N564-F587 HydrophobicContact CB-CD2 3.77Å; N564-F587 HydrophobicContact CB-CE2 3.62Å; I565-F587 HydrophobicContact CG1-CD2 4.21Å; F587-N589 VanDerWaalsContact C-N 3.26Å; F587-N589 PolarHBondContact O-N 3.16Å; F587-R590 PolarHBondContact N-O 2.78Å; F587-R590 WeakPolarHBondContact O-CA 3.42Å; F587-R590 VanDerWaalsContact O-CB 3.27Å; F587-R590 WeakPolarHBondContact O-CB 3.48Å; F587-R590 PolarHBondContact O-N 2.87Å; F587-V592 HydrophobicContact CB-CG1 4.12Å; F587-V592 HydrophobicContact CB-CG2 4.13Å; F587-F625 HydrophobicContact CD1-CB 3.71Å; F587-F625 HydrophobicContact CD1-CG 4.49Å; F587-F625 HydrophobicContact CE1-CB 3.84Å; F587-C626 HydrophobicContact CD2-CB 4.28Å; F587-C626 WeakPolarHBondContact CD2-SG 3.47Å; F587-C626 HydrophobicContact CE1-CB 4.18Å; F587-C626 HydrophobicContact CE2-CB 3.76Å; F587-C626 WeakPolarHBondContact CE2-SG 3.28Å; F587-C626 HydrophobicContact CZ-CB 3.71Å; F587-A637 HydrophobicContact CB-CB 4.26Å
588	D	92.2	Very high	91	Very high	99 Å²	99	50.6 Å²	50.6	53%	0.529	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.7	48.1	-175.6	-64.3	-5	0	0	0	113.2	N564 R590	N564-D588 PolarHBondContact ND2-OD1 3.32Å; D588-R590 PolarHBondContact O-N 2.84Å
589	N	89.4	Confident	91.6	Very high	153 Å²	153	47.9 Å²	47.9	82%	0.818	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	1.9	-174.3	-58	-30.1	0	0	0	116.3	F587	F587-N589 VanDerWaalsContact C-N 3.26Å; F587-N589 PolarHBondContact O-N 3.16Å
590	R	93.6	Very high	92	Very high	101 Å²	101	52.7 Å²	52.7	38%	0.381	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	136	173.7	-172.2	-179.6	-176.9	144.1	0.5	110.5	Q586 F587 D588 V592 F625	Q586-R590 CarbonylContact C-O 3.58Å; Q586-R590 WeakPolarHBondContact CA-O 3.18Å; F587-R590 PolarHBondContact N-O 2.78Å; F587-R590 WeakPolarHBondContact O-CA 3.42Å; F587-R590 VanDerWaalsContact O-CB 3.27Å; F587-R590 WeakPolarHBondContact O-CB 3.48Å; F587-R590 PolarHBondContact O-N 2.87Å; D588-R590 PolarHBondContact O-N 2.84Å; R590-V592 HydrophobicContact CG-CG1 4.43Å; R590-F625 VanDerWaalsContact NE-CZ 3.26Å
591	P	95.9	Very high	91.9	Very high	77 Å²	77	52.3 Å²	52.3	50%	0.5	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	131	169.3	29	-34	0	0	0	110.8	L640	P591-L640 HydrophobicContact CB-CD2 4.09Å
592	V	97.3	Very high	91.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	158.9	-174.6	-61.3	0	0	0	0	111.4	G585 F587 R590 V594 F625 A637 I638	G585-V592 PolarHBondContact N-O 3.41Å; G585-V592 PolarHBondContact O-N 2.95Å; F587-V592 HydrophobicContact CB-CG1 4.12Å; F587-V592 HydrophobicContact CB-CG2 4.13Å; R590-V592 HydrophobicContact CG-CG1 4.43Å; V592-V594 HydrophobicContact CG2-CG2 3.83Å; V592-F625 HydrophobicContact CB-CD2 4.39Å; V592-F625 HydrophobicContact CG1-CD2 3.47Å; V592-F625 VanDerWaalsContact CG1-CD2 3.47Å; V592-F625 HydrophobicContact CG1-CE2 3.67Å; V592-A637 HydrophobicContact CB-CB 4.34Å; V592-A637 HydrophobicContact CG1-CB 4.5Å; V592-A637 HydrophobicContact CG2-CB 4.13Å; V592-I638 WeakPolarHBondContact CA-O 3.5Å; V592-I638 WeakPolarHBondContact CB-O 3.43Å
593	A	97.6	Very high	90.8	Very high	8 Å²	8	52.8 Å²	52.8	7%	0.066	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	133.1	159.4	0	0	0	0	0	108.8	L573 V582 Y583 A637 I638 L640	L573-A593 HydrophobicContact CD1-CB 4.16Å; V582-A593 HydrophobicContact CG1-CB 4.01Å; Y583-A593 WeakPolarHBondContact O-CA 3.33Å; A593-A637 WeakPolarHBondContact O-CA 3.41Å; A593-I638 HydrophobicContact CB-CG1 3.95Å; A593-I638 PolarHBondContact N-O 2.9Å; A593-I638 PolarHBondContact O-N 3.48Å; A593-L640 HydrophobicContact CB-CD1 4.2Å
594	V	96.6	Very high	89.9	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	104.4	-177.9	-178.6	0	0	0	0	109	I565 F567 V582 Y583 V592 Y635 I636	I565-V594 HydrophobicContact CG2-CB 4.43Å; I565-V594 HydrophobicContact CG2-CG1 3.81Å; I565-V594 HydrophobicContact CG2-CG2 3.68Å; F567-V594 HydrophobicContact CB-CG2 4.38Å; F567-V594 HydrophobicContact CD1-CG1 4.16Å; V582-V594 WeakPolarHBondContact CA-O 3.41Å; Y583-V594 PolarHBondContact N-O 2.75Å; Y583-V594 PolarHBondContact O-N 3.18Å; V592-V594 HydrophobicContact CG2-CG2 3.83Å; V594-Y635 HydrophobicContact CG1-CD1 3.82Å; V594-I636 WeakPolarHBondContact CA-O 3.48Å
595	K	94.9	Very high	89.2	Confident	19 Å²	19	51.5 Å²	51.5	8%	0.083	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	109.5	175.8	-168.3	-178.3	-167.3	-174.5	0	108.8	T580 V582 I597 E608 Y635 I636 D707	T580-K595 HydrophobicContact CG2-CD 4.33Å; T580-K595 HydrophobicContact CG2-CG 3.66Å; V582-K595 HydrophobicContact CG2-CG 4.29Å; K595-I597 HydrophobicContact CD-CD1 4.22Å; K595-I597 HydrophobicContact CG-CD1 4.3Å; K595-I597 HydrophobicContact CG-CG1 4.17Å; K595-E608 IonicContact NZ-OE1 3.5Å; K595-E608 PolarHBondContact NZ-OE1 3.25Å; K595-E608 IonicContact NZ-OE2 3.95Å; K595-E608 PolarHBondContact NZ-OE2 3Å; K595-Y635 CarbonylContact O-C 3.46Å; K595-Y635 WeakPolarHBondContact O-CA 3.44Å; K595-I636 HydrophobicContact CB-CB 4.31Å; K595-I636 PolarHBondContact N-O 3.08Å; K595-I636 PolarHBondContact O-N 3.11Å; K595-D707 IonicContact NZ-OD1 3.14Å; K595-D707 PolarHBondContact NZ-OD1 3.39Å
596	R	93.8	Very high	88.7	Confident	46 Å²	46	55.1 Å²	55.1	17%	0.174	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	126.6	174.1	-174.7	-168.7	72.5	160.9	0.2	109.8	T580 M581 Y583 F633 Q634 Y635	T580-R596 WeakPolarHBondContact CA-O 3.46Å; M581-R596 PolarHBondContact N-O 2.73Å; M581-R596 VanDerWaalsContact N-O 3.09Å; M581-R596 PolarHBondContact O-N 2.74Å; M581-R596 PolarHBondContact SD-NH2 2.81Å; Y583-R596 HydrophobicContact CD2-CB 4.37Å; Y583-R596 HydrophobicContact CE2-CB 3.81Å; R596-F633 HydrophobicContact CG-CB 3.68Å; R596-F633 HydrophobicContact CG-CD1 3.98Å; R596-F633 HydrophobicContact CG-CD2 4.49Å; R596-F633 HydrophobicContact CG-CG 3.8Å; R596-Q634 WeakPolarHBondContact CA-O 3.43Å; R596-Y635 HydrophobicContact CB-CD1 4.09Å; R596-Y635 HydrophobicContact CB-CE1 3.95Å; R596-Y635 HydrophobicContact CG-CD1 4.12Å; R596-Y635 HydrophobicContact CG-CE1 3.61Å
597	I	88.8	Confident	88	Confident	6 Å²	6	54.6 Å²	54.6	3%	0.031	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	143.6	-172.9	-59	172.8	0	0	0	109.7	T580 K595 C601 A605 F633 Q634 I636	T580-I597 HydrophobicContact CG2-CG1 4.29Å; K595-I597 HydrophobicContact CD-CD1 4.22Å; K595-I597 HydrophobicContact CG-CD1 4.3Å; K595-I597 HydrophobicContact CG-CG1 4.17Å; I597-C601 HydrophobicContact CG2-CB 3.45Å; I597-C601 VanDerWaalsContact CG2-CB 3.45Å; I597-A605 HydrophobicContact CD1-CB 3.6Å; I597-A605 HydrophobicContact CG2-CB 4.21Å; I597-F633 WeakPolarHBondContact O-CA 3.42Å; I597-Q634 PolarHBondContact N-O 2.84Å; I597-Q634 PolarHBondContact O-N 2.87Å; I597-Q634 VanDerWaalsContact O-N 3.15Å; I597-I636 HydrophobicContact CD1-CD1 3.6Å; I597-I636 HydrophobicContact CD1-CG1 4.16Å
598	L	86.4	Confident	87.6	Confident	46 Å²	46	53.5 Å²	53.5	24%	0.241	27%	0.273	C	S	.	.			trans	-78.7	158.3	-179.1	-58.8	-171.3	0	0	0	113.1	E578 E600 C601 F602 F633	E578-L598 WeakPolarHBondContact O-CD1 3.3Å; L598-E600 VanDerWaalsContact C-N 3.29Å; L598-E600 WeakPolarHBondContact CB-OE2 3.03Å; L598-E600 PolarHBondContact O-N 3.02Å; L598-C601 WeakPolarHBondContact O-CB 3.5Å; L598-C601 PolarHBondContact O-N 3.22Å; L598-F602 WeakPolarHBondContact O-CD1 3.44Å; L598-F602 WeakPolarHBondContact O-CE1 3.41Å; L598-F602 PolarHBondContact O-N 3.02Å; L598-F633 HydrophobicContact CD2-CD1 3.89Å; L598-F633 HydrophobicContact CD2-CE1 3.63Å
599	P	79.7	Confident	87.5	Confident	60 Å²	60	49.1 Å²	49.1	39%	0.39	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-55.8	-37	-179.3	-27.9	37.3	0	0	0	115.7	C601 F602 Q632	P599-C601 PolarHBondContact O-N 3.02Å; P599-F602 VanDerWaalsContact CA-CZ 3.48Å; P599-F602 HydrophobicContact CB-CD2 4.4Å; P599-F602 HydrophobicContact CB-CE2 3.91Å; P599-F602 HydrophobicContact CB-CZ 4.02Å; P599-F602 HydrophobicContact CG-CE2 4.31Å; P599-F602 HydrophobicContact CG-CZ 4Å; P599-F602 WeakPolarHBondContact O-CG 3.46Å; P599-F602 PolarHBondContact O-N 3.12Å; P599-Q632 VanDerWaalsContact CD-O 3.26Å; P599-Q632 WeakPolarHBondContact CD-O 3.33Å; P599-Q632 WeakPolarHBondContact CG-O 3.28Å
600	E	78.8	Confident	87.5	Confident	143 Å²	143	46.9 Å²	46.9	67%	0.668	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-59.2	-28.7	177.2	-64.8	68.1	-151.4	0	0	111.5	L598	L598-E600 VanDerWaalsContact C-N 3.29Å; L598-E600 WeakPolarHBondContact CB-OE2 3.03Å; L598-E600 PolarHBondContact O-N 3.02Å
601	C	78.7	Confident	87.4	Confident	7 Å²	7	42.3 Å²	42.3	5%	0.047	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-101.8	-1.8	-170	-53.9	0	0	0	0	113.5	E578 I597 L598 P599 S603 F604 A605	E578-C601 VanDerWaalsContact CB-SG 3.56Å; E578-C601 PolarHBondContact OE2-SG 3.43Å; I597-C601 HydrophobicContact CG2-CB 3.45Å; I597-C601 VanDerWaalsContact CG2-CB 3.45Å; L598-C601 WeakPolarHBondContact O-CB 3.5Å; L598-C601 PolarHBondContact O-N 3.22Å; P599-C601 PolarHBondContact O-N 3.02Å; C601-S603 PolarHBondContact O-N 3.23Å; C601-S603 VanDerWaalsContact O-N 3.13Å; C601-F604 WeakPolarHBondContact O-CA 3.42Å; C601-F604 WeakPolarHBondContact O-CB 3.49Å; C601-F604 PolarHBondContact O-N 2.98Å; C601-A605 PolarHBondContact O-N 3.15Å; C601-A605 VanDerWaalsContact O-N 3.08Å
602	F	82.8	Confident	87.1	Confident	22 Å²	22	38.7 Å²	38.7	10%	0.096	19%	0.194	C	C	.	.	H	α-helix	trans	-55.1	-34.9	-177	-67.5	-15.8	0	0	0	113.2	L598 P599 F604 A605 D606 R629 Q634	L598-F602 WeakPolarHBondContact O-CD1 3.44Å; L598-F602 WeakPolarHBondContact O-CE1 3.41Å; L598-F602 PolarHBondContact O-N 3.02Å; P599-F602 VanDerWaalsContact CA-CZ 3.48Å; P599-F602 HydrophobicContact CB-CD2 4.4Å; P599-F602 HydrophobicContact CB-CE2 3.91Å; P599-F602 HydrophobicContact CB-CZ 4.02Å; P599-F602 HydrophobicContact CG-CE2 4.31Å; P599-F602 HydrophobicContact CG-CZ 4Å; P599-F602 WeakPolarHBondContact O-CG 3.46Å; P599-F602 PolarHBondContact O-N 3.12Å; F602-F604 PolarHBondContact O-N 3.23Å; F602-A605 WeakPolarHBondContact O-CB 3.41Å; F602-A605 PolarHBondContact O-N 3.06Å; F602-A605 VanDerWaalsContact O-N 3.11Å; F602-D606 PolarHBondContact O-N 3.12Å; F602-R629 VanDerWaalsContact CD2-NH1 3.35Å; F602-Q634 HydrophobicContact CD1-CB 3.56Å; F602-Q634 HydrophobicContact CE1-CB 3.37Å; F602-Q634 VanDerWaalsContact CE1-N 3.3Å; F602-Q634 HydrophobicContact CZ-CB 4.17Å
603	S	78	Confident	86.8	Confident	77 Å²	77	46 Å²	46	54%	0.538	22%	0.221	S	C	.	.	H	α-helix	trans	-68.8	-14.9	176.7	74.2	0	0	0	0	115	C601	C601-S603 PolarHBondContact O-N 3.23Å; C601-S603 VanDerWaalsContact O-N 3.13Å
604	F	77.9	Confident	86.4	Confident	77 Å²	77	48.6 Å²	48.6	34%	0.338	23%	0.232	S	C	.	.	H	α-helix	trans	-90.1	-40	166.9	-59.3	-79.1	0	0	0	111	C601 F602 D606 R607 E608	C601-F604 WeakPolarHBondContact O-CA 3.42Å; C601-F604 WeakPolarHBondContact O-CB 3.49Å; C601-F604 PolarHBondContact O-N 2.98Å; F602-F604 PolarHBondContact O-N 3.23Å; F604-D606 PolarHBondContact O-N 3.45Å; F604-R607 WeakPolarHBondContact O-CB 3.37Å; F604-R607 PolarHBondContact O-N 2.87Å; F604-E608 WeakPolarHBondContact O-CB 3.36Å; F604-E608 PolarHBondContact O-N 3.29Å
605	A	82.1	Confident	86	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.008	23%	0.233	C	C	.	.	H	α-helix	trans	-56.9	-48.3	175.7	0	0	0	0	0	112.3	I597 C601 F602 R607 E608 V609 Q634 I636	I597-A605 HydrophobicContact CD1-CB 3.6Å; I597-A605 HydrophobicContact CG2-CB 4.21Å; C601-A605 PolarHBondContact O-N 3.15Å; C601-A605 VanDerWaalsContact O-N 3.08Å; F602-A605 WeakPolarHBondContact O-CB 3.41Å; F602-A605 PolarHBondContact O-N 3.06Å; F602-A605 VanDerWaalsContact O-N 3.11Å; A605-R607 PolarHBondContact O-N 2.7Å; A605-E608 PolarHBondContact O-N 3.17Å; A605-V609 WeakPolarHBondContact O-CG2 3.43Å; A605-V609 PolarHBondContact O-N 3.01Å; A605-Q634 HydrophobicContact CB-CG 4.4Å; A605-I636 HydrophobicContact CB-CD1 4.44Å
606	D	84.1	Confident	85.5	Confident	84 Å²	84	49 Å²	49	45%	0.449	24%	0.236	S	C	.	.	H	α-helix	trans	-63.4	-32.2	179.3	-68	-24.4	0	0	0	112.1	F602 F604 Q610 Q634	F602-D606 PolarHBondContact O-N 3.12Å; F604-D606 PolarHBondContact O-N 3.45Å; D606-Q610 PolarHBondContact O-N 3.16Å; D606-Q634 PolarHBondContact OD1-NE2 3.15Å
607	R	83.3	Confident	85.3	Confident	90 Å²	90	55.6 Å²	55.6	34%	0.34	27%	0.268	S	S	.	.	H	α-helix	trans	-72.6	-44.1	173.7	-173.7	-174.5	-56.6	143.1	15	111.8	F604 A605 V609 Q610 L611	F604-R607 WeakPolarHBondContact O-CB 3.37Å; F604-R607 PolarHBondContact O-N 2.87Å; A605-R607 PolarHBondContact O-N 2.7Å; R607-V609 VanDerWaalsContact C-N 3.34Å; R607-Q610 PolarHBondContact O-N 3.04Å; R607-L611 HydrophobicContact CG-CD1 4.01Å; R607-L611 HydrophobicContact CG-CG 4.35Å; R607-L611 VanDerWaalsContact O-CG 3.3Å; R607-L611 WeakPolarHBondContact O-CG 3.47Å; R607-L611 PolarHBondContact O-N 3.33Å
608	E	88.1	Confident	85.7	Confident	8 Å²	8	56.9 Å²	56.9	4%	0.037	27%	0.274	C	S	.	.	H	α-helix	trans	-57.5	-48	174.3	163.8	157.5	-134	0	0	110.6	K595 F604 A605 Q610 L611 L612 I636 F708	K595-E608 IonicContact NZ-OE1 3.5Å; K595-E608 PolarHBondContact NZ-OE1 3.25Å; K595-E608 IonicContact NZ-OE2 3.95Å; K595-E608 PolarHBondContact NZ-OE2 3Å; F604-E608 WeakPolarHBondContact O-CB 3.36Å; F604-E608 PolarHBondContact O-N 3.29Å; A605-E608 PolarHBondContact O-N 3.17Å; E608-Q610 PolarHBondContact O-N 3.04Å; E608-L611 PolarHBondContact O-N 3.03Å; E608-L612 HydrophobicContact CG-CD1 3.74Å; E608-L612 HydrophobicContact CG-CG 4.43Å; E608-L612 WeakPolarHBondContact O-CB 3.41Å; E608-L612 VanDerWaalsContact O-CG 3.27Å; E608-L612 WeakPolarHBondContact O-CG 3.45Å; E608-L612 PolarHBondContact O-N 3.47Å; E608-I636 HydrophobicContact CG-CD1 4.06Å; E608-F708 HydrophobicContact CB-CB 4.26Å; E608-F708 HydrophobicContact CG-CB 3.96Å; E608-F708 PolarHBondContact OE1-N 2.79Å
609	V	89.6	Confident	86.1	Confident	7 Å²	7	58.3 Å²	58.3	4%	0.042	29%	0.286	C	S	.	.	H	α-helix	trans	-59.3	-42.6	174.7	171	0	0	0	0	111.9	A605 R607 R613 Y624 T627 I636	A605-V609 WeakPolarHBondContact O-CG2 3.43Å; A605-V609 PolarHBondContact O-N 3.01Å; R607-V609 VanDerWaalsContact C-N 3.34Å; V609-R613 WeakPolarHBondContact O-CB 3.25Å; V609-R613 WeakPolarHBondContact O-CD 3.48Å; V609-R613 VanDerWaalsContact O-CG 3.22Å; V609-R613 WeakPolarHBondContact O-CG 3.42Å; V609-R613 PolarHBondContact O-N 3.34Å; V609-R613 VanDerWaalsContact O-N 3.16Å; V609-Y624 HydrophobicContact CB-CE2 4.45Å; V609-Y624 HydrophobicContact CG1-CE2 3.94Å; V609-Y624 WeakPolarHBondContact CG1-OH 3.42Å; V609-Y624 HydrophobicContact CG2-CE2 4.03Å; V609-T627 HydrophobicContact CG1-CG2 4.07Å; V609-T627 HydrophobicContact CG2-CG2 4.08Å; V609-I636 HydrophobicContact CG2-CD1 3.74Å; V609-I636 HydrophobicContact CG2-CG1 4.02Å; V609-I636 HydrophobicContact CG2-CG2 4.32Å
610	Q	90.3	Very high	87	Confident	106 Å²	106	56 Å²	56	50%	0.495	27%	0.271	S	S	.	.	H	α-helix	trans	-62.2	-49.2	175.5	-177.5	-178.9	-7.9	0	0	111.7	D606 R607 E608 R613 E614	D606-Q610 PolarHBondContact O-N 3.16Å; R607-Q610 PolarHBondContact O-N 3.04Å; E608-Q610 PolarHBondContact O-N 3.04Å; Q610-R613 PolarHBondContact O-N 3.26Å; Q610-E614 PolarHBondContact NE2-OE1 3.03Å; Q610-E614 WeakPolarHBondContact O-CG 3.47Å; Q610-E614 PolarHBondContact O-N 2.95Å
611	L	91	Very high	87.9	Confident	5 Å²	5	49.3 Å²	49.3	3%	0.026	24%	0.239	C	C	.	.	H	α-helix	trans	-70.4	-33.8	-174.3	-63.6	176.6	0	0	0	112.4	R607 E608 E614 S615 I680 F708 C711 K713	R607-L611 HydrophobicContact CG-CD1 4.01Å; R607-L611 HydrophobicContact CG-CG 4.35Å; R607-L611 VanDerWaalsContact O-CG 3.3Å; R607-L611 WeakPolarHBondContact O-CG 3.47Å; R607-L611 PolarHBondContact O-N 3.33Å; E608-L611 PolarHBondContact O-N 3.03Å; L611-E614 PolarHBondContact O-N 2.92Å; L611-S615 PolarHBondContact O-N 3.36Å; L611-S615 PolarHBondContact O-OG 3.01Å; L611-I680 HydrophobicContact CD2-CD1 4.18Å; L611-I680 HydrophobicContact CD2-CG1 4.32Å; L611-F708 HydrophobicContact CB-CD1 3.85Å; L611-C711 HydrophobicContact CD1-CB 3.55Å; L611-K713 HydrophobicContact CD2-CB 3.72Å; L611-K713 HydrophobicContact CD2-CD 4.15Å
612	L	90.1	Very high	88.7	Confident	1 Å²	1	49 Å²	49	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-61.4	-52.8	171.3	-73.5	168.8	0	0	0	110.8	E608 E614 S615 D616 I622 Y624 I638 F708	E608-L612 HydrophobicContact CG-CD1 3.74Å; E608-L612 HydrophobicContact CG-CG 4.43Å; E608-L612 WeakPolarHBondContact O-CB 3.41Å; E608-L612 VanDerWaalsContact O-CG 3.27Å; E608-L612 WeakPolarHBondContact O-CG 3.45Å; E608-L612 PolarHBondContact O-N 3.47Å; L612-E614 PolarHBondContact O-N 3.28Å; L612-S615 PolarHBondContact O-N 2.78Å; L612-D616 VanDerWaalsContact O-CB 3.27Å; L612-D616 WeakPolarHBondContact O-CB 3.46Å; L612-D616 PolarHBondContact O-N 2.74Å; L612-I622 HydrophobicContact CD2-CG2 3.68Å; L612-Y624 HydrophobicContact CB-CG 4.35Å; L612-Y624 HydrophobicContact CD1-CD2 4.29Å; L612-I638 HydrophobicContact CD1-CG2 4.45Å; L612-F708 HydrophobicContact CD2-CB 4.48Å; L612-F708 HydrophobicContact CD2-CD1 4.33Å; L612-F708 HydrophobicContact CD2-CD2 3.57Å; L612-F708 HydrophobicContact CD2-CE1 4.47Å; L612-F708 HydrophobicContact CD2-CE2 3.75Å; L612-F708 HydrophobicContact CD2-CG 3.89Å; L612-F708 HydrophobicContact CD2-CZ 4.2Å; L612-F708 HydrophobicContact CG-CB 4.28Å; L612-F708 HydrophobicContact CG-CD2 4.28Å; L612-F708 HydrophobicContact CG-CG 4.13Å
613	R	90	Very high	89.2	Confident	152 Å²	152	53.9 Å²	53.9	57%	0.574	26%	0.255	S	S	*	.	H	α-helix	trans	-59.2	-15.6	177.2	-71	171.9	180	-170.6	0.4	114.9	V609 Q610 Y624	V609-R613 WeakPolarHBondContact O-CB 3.25Å; V609-R613 WeakPolarHBondContact O-CD 3.48Å; V609-R613 VanDerWaalsContact O-CG 3.22Å; V609-R613 WeakPolarHBondContact O-CG 3.42Å; V609-R613 PolarHBondContact O-N 3.34Å; V609-R613 VanDerWaalsContact O-N 3.16Å; Q610-R613 PolarHBondContact O-N 3.26Å; R613-Y624 HydrophobicContact CG-CD1 3.77Å; R613-Y624 HydrophobicContact CG-CE1 3.62Å; R613-Y624 PolarHBondContact NE-OH 3.32Å; R613-Y624 PolarHBondContact NH2-OH 3.07Å
614	E	89.1	Confident	90	Very high	63 Å²	63	51 Å²	51	29%	0.294	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-8.4	176.3	-71.1	176.5	167.4	0	0	113.3	Q610 L611 L612 L678 K713	Q610-E614 PolarHBondContact NE2-OE1 3.03Å; Q610-E614 WeakPolarHBondContact O-CG 3.47Å; Q610-E614 PolarHBondContact O-N 2.95Å; L611-E614 PolarHBondContact O-N 2.92Å; L612-E614 PolarHBondContact O-N 3.28Å; E614-L678 WeakPolarHBondContact O-CD1 3.22Å; E614-K713 IonicContact OE1-NZ 2.83Å; E614-K713 PolarHBondContact OE1-NZ 2.82Å; E614-K713 VanDerWaalsContact OE2-CD 3.28Å; E614-K713 WeakPolarHBondContact OE2-CD 3.33Å; E614-K713 WeakPolarHBondContact OE2-CE 3.16Å; E614-K713 IonicContact OE2-NZ 2.62Å; E614-K713 PolarHBondContact OE2-NZ 2.85Å
615	S	89.4	Confident	90.8	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.007	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144.6	-2.4	-168.5	63	0	0	0	0	116.8	L611 L612 E617 V621 H674 L678 F708	L611-S615 PolarHBondContact O-N 3.36Å; L611-S615 PolarHBondContact O-OG 3.01Å; L612-S615 PolarHBondContact O-N 2.78Å; S615-E617 VanDerWaalsContact C-N 3.31Å; S615-E617 PolarHBondContact O-N 3.44Å; S615-V621 WeakPolarHBondContact O-CB 3.49Å; S615-H674 PolarHBondContact O-NE2 3.1Å; S615-L678 VanDerWaalsContact CB-CD1 3.45Å; S615-F708 WeakPolarHBondContact OG-CE1 3.4Å
616	D	84	Confident	91.3	Very high	28 Å²	28	49.9 Å²	49.9	15%	0.15	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	1.6	-173.2	83.8	-46	0	0	0	115.3	L612 H618 R623 Y624	L612-D616 VanDerWaalsContact O-CB 3.27Å; L612-D616 WeakPolarHBondContact O-CB 3.46Å; L612-D616 PolarHBondContact O-N 2.74Å; D616-H618 VanDerWaalsContact C-N 3.29Å; D616-R623 WeakPolarHBondContact OD2-CG 3.47Å; D616-Y624 PolarHBondContact OD2-N 3.41Å
617	E	89.6	Confident	91.9	Very high	184 Å²	184	47.7 Å²	47.7	86%	0.86	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-26.9	169.1	-62.5	-169.1	148.1	0	0	112.7	S615	S615-E617 VanDerWaalsContact C-N 3.31Å; S615-E617 PolarHBondContact O-N 3.44Å
618	H	96.1	Very high	92.4	Very high	33 Å²	33	46.1 Å²	46.1	15%	0.153	22%	0.215	C	C	.	.	S	Bend	trans	-78.6	130.9	-176	-178.2	-88.5	0	0	0	111.7	D616 N620 V621 S670 G671 H674	D616-H618 VanDerWaalsContact C-N 3.29Å; H618-N620 PolarHBondContact CE1-OD1 2.85Å; H618-N620 PolarHBondContact ND1-N 3.47Å; H618-N620 VanDerWaalsContact ND1-N 3.18Å; H618-N620 PolarHBondContact O-N 3.29Å; H618-V621 HydrophobicContact CB-CG2 4.24Å; H618-V621 PolarHBondContact O-N 2.98Å; H618-S670 VanDerWaalsContact CE1-C 3.4Å; H618-S670 PolarHBondContact CE1-O 2.61Å; H618-S670 PolarHBondContact CE1-OG 3.16Å; H618-S670 PolarHBondContact NE2-OG 2.76Å; H618-G671 PolarHBondContact CE1-N 3.38Å; H618-H674 HydrophobicContact CB-CB 4.17Å; H618-H674 WeakPolarHBondContact CB-CD2 3.27Å; H618-H674 AromaticContact CD2-CG 3.86Å; H618-H674 AromaticContact CG-CD2 3.91Å; H618-H674 AromaticContact CG-CG 3.68Å
619	P	96.3	Very high	92.6	Very high	75 Å²	75	52.7 Å²	52.7	49%	0.487	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-16	-170.5	24.4	-36.1	0	0	0	115.3	R702	P619-R702 WeakPolarHBondContact O-CD 3.3Å; P619-R702 PolarHBondContact O-NE 2.9Å
620	N	98.1	Very high	92.7	Very high	13 Å²	13	55 Å²	55	7%	0.07	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	21.8	175.5	-46.8	111.6	0	0	0	113.8	H618 Q667 A703 M704 I705	H618-N620 PolarHBondContact CE1-OD1 2.85Å; H618-N620 PolarHBondContact ND1-N 3.47Å; H618-N620 VanDerWaalsContact ND1-N 3.18Å; H618-N620 PolarHBondContact O-N 3.29Å; N620-Q667 WeakPolarHBondContact CB-O 3.36Å; N620-Q667 VanDerWaalsContact CG-O 3.31Å; N620-Q667 WeakPolarHBondContact ND2-CB 3.42Å; N620-A703 WeakPolarHBondContact CA-O 3.46Å; N620-A703 WeakPolarHBondContact CB-O 3.48Å; N620-A703 PolarHBondContact ND2-O 3.37Å; N620-M704 WeakPolarHBondContact O-CA 3.29Å; N620-I705 PolarHBondContact O-N 2.84Å
621	V	97.3	Very high	92.5	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.006	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-111.2	148	162.2	175	0	0	0	0	107.8	S615 H618 R623 L675 F708	S615-V621 WeakPolarHBondContact O-CB 3.49Å; H618-V621 HydrophobicContact CB-CG2 4.24Å; H618-V621 PolarHBondContact O-N 2.98Å; V621-R623 PolarHBondContact O-N 3.37Å; V621-L675 HydrophobicContact CG2-CD2 4.17Å; V621-L675 HydrophobicContact CG2-CG 4.36Å; V621-F708 HydrophobicContact CG1-CE2 4.1Å; V621-F708 HydrophobicContact CG1-CZ 3.64Å
622	I	96.1	Very high	92.2	Very high	1 Å²	1	67.7 Å²	67.7	1%	0.005	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-68.2	129	179.2	-163.5	65.3	0	0	0	110.6	L612 I638 E639 C641 L691 M704 I705 F708	L612-I622 HydrophobicContact CD2-CG2 3.68Å; I622-I638 HydrophobicContact CG1-CB 4.35Å; I622-I638 HydrophobicContact CG1-CD1 4.28Å; I622-E639 HydrophobicContact CD1-CB 3.92Å; I622-E639 HydrophobicContact CG1-CB 4.5Å; I622-C641 VanDerWaalsContact CD1-SG 3.56Å; I622-L691 HydrophobicContact CD1-CD1 4.08Å; I622-M704 HydrophobicContact CD1-CE 3.75Å; I622-M704 HydrophobicContact CD1-SD 4.12Å; I622-I705 WeakPolarHBondContact CB-O 3.49Å; I622-I705 PolarHBondContact N-O 2.69Å; I622-F708 HydrophobicContact CG2-CE2 4.41Å
623	R	93.8	Very high	92.3	Very high	124 Å²	124	69.4 Å²	69.4	47%	0.468	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-75.9	135.4	-177.9	-165.6	170.9	173.2	166.7	1.8	112.2	D616 V621 F625 I638 E639	D616-R623 WeakPolarHBondContact OD2-CG 3.47Å; V621-R623 PolarHBondContact O-N 3.37Å; R623-F625 HydrophobicContact CB-CE1 4.3Å; R623-F625 HydrophobicContact CB-CZ 4.3Å; R623-F625 HydrophobicContact CG-CD1 4.48Å; R623-F625 HydrophobicContact CG-CE1 3.77Å; R623-F625 HydrophobicContact CG-CZ 4.28Å; R623-I638 CarbonylContact O-C 3.57Å; R623-I638 VanDerWaalsContact O-CA 3.23Å; R623-I638 WeakPolarHBondContact O-CA 3.36Å; R623-I638 WeakPolarHBondContact O-CB 3.45Å; R623-E639 HydrophobicContact CB-CB 4.12Å; R623-E639 PolarHBondContact O-N 2.86Å
624	Y	94.5	Very high	92.4	Very high	18 Å²	18	62.4 Å²	62.4	7%	0.071	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	150.9	174	165.6	-91.7	0	0	0	110.6	V609 L612 R613 D616 C626 T627 I636	V609-Y624 HydrophobicContact CB-CE2 4.45Å; V609-Y624 HydrophobicContact CG1-CE2 3.94Å; V609-Y624 WeakPolarHBondContact CG1-OH 3.42Å; V609-Y624 HydrophobicContact CG2-CE2 4.03Å; L612-Y624 HydrophobicContact CB-CG 4.35Å; L612-Y624 HydrophobicContact CD1-CD2 4.29Å; R613-Y624 HydrophobicContact CG-CD1 3.77Å; R613-Y624 HydrophobicContact CG-CE1 3.62Å; R613-Y624 PolarHBondContact NE-OH 3.32Å; R613-Y624 PolarHBondContact NH2-OH 3.07Å; D616-Y624 PolarHBondContact OD2-N 3.41Å; Y624-C626 VanDerWaalsContact CE2-C 3.43Å; Y624-C626 WeakPolarHBondContact CE2-O 3.29Å; Y624-C626 VanDerWaalsContact CZ-C 3.43Å; Y624-C626 WeakPolarHBondContact OH-CA 3.37Å; Y624-T627 PolarHBondContact OH-N 3.22Å; Y624-T627 VanDerWaalsContact OH-N 3.08Å; Y624-I636 HydrophobicContact CD2-CG2 3.83Å; Y624-I636 HydrophobicContact CE2-CG2 3.87Å
625	F	93.4	Very high	92.7	Very high	39 Å²	39	59.8 Å²	59.8	17%	0.171	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	-55	175.6	-53	-54.9	0	0	0	112.4	F587 R590 V592 R623 A637 E639	F587-F625 HydrophobicContact CD1-CB 3.71Å; F587-F625 HydrophobicContact CD1-CG 4.49Å; F587-F625 HydrophobicContact CE1-CB 3.84Å; R590-F625 VanDerWaalsContact NE-CZ 3.26Å; V592-F625 HydrophobicContact CB-CD2 4.39Å; V592-F625 HydrophobicContact CG1-CD2 3.47Å; V592-F625 VanDerWaalsContact CG1-CD2 3.47Å; V592-F625 HydrophobicContact CG1-CE2 3.67Å; R623-F625 HydrophobicContact CB-CE1 4.3Å; R623-F625 HydrophobicContact CB-CZ 4.3Å; R623-F625 HydrophobicContact CG-CD1 4.48Å; R623-F625 HydrophobicContact CG-CE1 3.77Å; R623-F625 HydrophobicContact CG-CZ 4.28Å; F625-A637 HydrophobicContact CB-CB 4.4Å; F625-A637 PolarHBondContact N-O 3.37Å; F625-E639 HydrophobicContact CE2-CB 4.35Å; F625-E639 HydrophobicContact CZ-CB 4.13Å
626	C	94.1	Very high	93	Very high	15 Å²	15	59.8 Å²	59.8	10%	0.101	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	169.7	-179.4	71.8	0	0	0	0	112.4	I565 F587 Y624 A637	I565-C626 VanDerWaalsContact CG1-SG 3.6Å; F587-C626 HydrophobicContact CD2-CB 4.28Å; F587-C626 WeakPolarHBondContact CD2-SG 3.47Å; F587-C626 HydrophobicContact CE1-CB 4.18Å; F587-C626 HydrophobicContact CE2-CB 3.76Å; F587-C626 WeakPolarHBondContact CE2-SG 3.28Å; F587-C626 HydrophobicContact CZ-CB 3.71Å; Y624-C626 VanDerWaalsContact CE2-C 3.43Å; Y624-C626 WeakPolarHBondContact CE2-O 3.29Å; Y624-C626 VanDerWaalsContact CZ-C 3.43Å; Y624-C626 WeakPolarHBondContact OH-CA 3.37Å; C626-A637 PolarHBondContact O-N 1.86Å; C626-A637 VanDerWaalsContact SG-CB 3.58Å
627	T	95.1	Very high	93.6	Very high	38 Å²	38	58.4 Å²	58.4	23%	0.233	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	138.9	161.5	-172.4	0	0	0	0	108.7	V609 Y624 Y635	V609-T627 HydrophobicContact CG1-CG2 4.07Å; V609-T627 HydrophobicContact CG2-CG2 4.08Å; Y624-T627 PolarHBondContact OH-N 3.22Å; Y624-T627 VanDerWaalsContact OH-N 3.08Å; T627-Y635 CarbonylContact C-O 3.54Å; T627-Y635 WeakPolarHBondContact CA-O 3.42Å; T627-Y635 WeakPolarHBondContact CB-O 3.4Å; T627-Y635 PolarHBondContact OG1-O 3.4Å
628	E	94.4	Very high	93.8	Very high	57 Å²	57	50.6 Å²	50.6	27%	0.266	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	160.4	178.8	-67.5	-80.8	-155.9	0	0	108.3	V562 G563 N564 I565 Y635	V562-E628 HydrophobicContact CG1-CB 4.06Å; V562-E628 WeakPolarHBondContact O-CG 3.2Å; G563-E628 WeakPolarHBondContact CA-OE1 3.32Å; N564-E628 PolarHBondContact N-OE1 3.27Å; I565-E628 HydrophobicContact CD1-CB 3.92Å; I565-E628 HydrophobicContact CD1-CG 3.77Å; I565-E628 HydrophobicContact CG1-CB 4.43Å; I565-E628 HydrophobicContact CG1-CG 3.86Å; E628-Y635 PolarHBondContact N-O 2.81Å; E628-Y635 PolarHBondContact O-N 2.79Å
629	R	92.6	Very high	93.8	Very high	145 Å²	145	50.1 Å²	50.1	55%	0.547	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	139.1	-177.8	175.5	168.1	166.6	179.4	-5.7	111.4	F602 F633 Q634	F602-R629 VanDerWaalsContact CD2-NH1 3.35Å; R629-F633 WeakPolarHBondContact CA-O 3.49Å; R629-Q634 HydrophobicContact CB-CG 4.5Å; R629-Q634 HydrophobicContact CG-CB 4.49Å
630	D	90.6	Very high	93.9	Very high	57 Å²	57	47.5 Å²	47.5	31%	0.305	21%	0.205	S	C	.	.			trans	-112.4	-154.8	171.8	67.4	29.3	0	0	0	111.4	V562 Q632 F633 Y635	V562-D630 HydrophobicContact CG1-CB 4.06Å; D630-Q632 WeakPolarHBondContact OD1-CA 3.3Å; D630-Q632 PolarHBondContact OD1-N 3.5Å; D630-F633 PolarHBondContact N-O 3.33Å; D630-F633 PolarHBondContact OD1-N 3.23Å; D630-Y635 PolarHBondContact OD2-OH 2.96Å
631	R	85.9	Confident	93.8	Very high	249 Å²	249	48.1 Å²	48.1	94%	0.94	21%	0.21	S	C	*	.	S	Bend	trans	-77.5	-18.5	179.9	-64.3	-177.7	-179.8	175.9	0.4	113.8
632	Q	86.1	Confident	93.6	Very high	128 Å²	128	50.4 Å²	50.4	60%	0.598	23%	0.23	S	C	*	.	S	Bend	trans	-122.8	-29.4	-169.8	-62	-173.5	-78.2	0	0	113.3	P599 D630	P599-Q632 VanDerWaalsContact CD-O 3.26Å; P599-Q632 WeakPolarHBondContact CD-O 3.33Å; P599-Q632 WeakPolarHBondContact CG-O 3.28Å; D630-Q632 WeakPolarHBondContact OD1-CA 3.3Å; D630-Q632 PolarHBondContact OD1-N 3.5Å
633	F	92.8	Very high	93.6	Very high	36 Å²	36	50.8 Å²	50.8	16%	0.158	23%	0.232	C	C	.	.			trans	-143.5	158.2	-173	-49.8	-74.3	0	0	0	113	R596 I597 L598 R629 D630 Y635	R596-F633 HydrophobicContact CG-CB 3.68Å; R596-F633 HydrophobicContact CG-CD1 3.98Å; R596-F633 HydrophobicContact CG-CD2 4.49Å; R596-F633 HydrophobicContact CG-CG 3.8Å; I597-F633 WeakPolarHBondContact O-CA 3.42Å; L598-F633 HydrophobicContact CD2-CD1 3.89Å; L598-F633 HydrophobicContact CD2-CE1 3.63Å; R629-F633 WeakPolarHBondContact CA-O 3.49Å; D630-F633 PolarHBondContact N-O 3.33Å; D630-F633 PolarHBondContact OD1-N 3.23Å; F633-Y635 HydrophobicContact CB-CD2 4.43Å; F633-Y635 HydrophobicContact CB-CE2 3.65Å; F633-Y635 WeakPolarHBondContact CD2-OH 3.41Å
634	Q	92	Very high	93.7	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.028	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	139	168.4	-177	168.4	-1.9	0	0	108.6	R596 I597 F602 A605 D606 R629	R596-Q634 WeakPolarHBondContact CA-O 3.43Å; I597-Q634 PolarHBondContact N-O 2.84Å; I597-Q634 PolarHBondContact O-N 2.87Å; I597-Q634 VanDerWaalsContact O-N 3.15Å; F602-Q634 HydrophobicContact CD1-CB 3.56Å; F602-Q634 HydrophobicContact CE1-CB 3.37Å; F602-Q634 VanDerWaalsContact CE1-N 3.3Å; F602-Q634 HydrophobicContact CZ-CB 4.17Å; A605-Q634 HydrophobicContact CB-CG 4.4Å; D606-Q634 PolarHBondContact OD1-NE2 3.15Å; R629-Q634 HydrophobicContact CB-CG 4.5Å; R629-Q634 HydrophobicContact CG-CB 4.49Å
635	Y	94.6	Very high	93.8	Very high	7 Å²	7	45.4 Å²	45.4	3%	0.027	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	134.7	-172.8	-61.8	-92.8	0	0	0	108.9	V562 F567 V594 K595 R596 T627 E628 D630 F633	V562-Y635 HydrophobicContact CB-CD2 4.17Å; V562-Y635 HydrophobicContact CB-CE2 4.22Å; V562-Y635 HydrophobicContact CG1-CD2 3.99Å; V562-Y635 HydrophobicContact CG1-CE2 4.13Å; V562-Y635 HydrophobicContact CG2-CD2 4.13Å; V562-Y635 HydrophobicContact CG2-CE2 3.68Å; F567-Y635 AromaticContact CE1-CD1 3.94Å; F567-Y635 HydrophobicContact CE1-CD1 3.94Å; F567-Y635 AromaticContact CE1-CE1 3.46Å; F567-Y635 HydrophobicContact CE1-CE1 3.46Å; F567-Y635 VanDerWaalsContact CE1-CE1 3.46Å; F567-Y635 HydrophobicContact CZ-CD1 4.42Å; F567-Y635 AromaticContact CZ-CE1 3.62Å; F567-Y635 HydrophobicContact CZ-CE1 3.62Å; V594-Y635 HydrophobicContact CG1-CD1 3.82Å; K595-Y635 CarbonylContact O-C 3.46Å; K595-Y635 WeakPolarHBondContact O-CA 3.44Å; R596-Y635 HydrophobicContact CB-CD1 4.09Å; R596-Y635 HydrophobicContact CB-CE1 3.95Å; R596-Y635 HydrophobicContact CG-CD1 4.12Å; R596-Y635 HydrophobicContact CG-CE1 3.61Å; T627-Y635 CarbonylContact C-O 3.54Å; T627-Y635 WeakPolarHBondContact CA-O 3.42Å; T627-Y635 WeakPolarHBondContact CB-O 3.4Å; T627-Y635 PolarHBondContact OG1-O 3.4Å; E628-Y635 PolarHBondContact N-O 2.81Å; E628-Y635 PolarHBondContact O-N 2.79Å; D630-Y635 PolarHBondContact OD2-OH 2.96Å; F633-Y635 HydrophobicContact CB-CD2 4.43Å; F633-Y635 HydrophobicContact CB-CE2 3.65Å; F633-Y635 WeakPolarHBondContact CD2-OH 3.41Å
636	I	94.9	Very high	93.9	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	123	174.3	-50.3	179.8	0	0	0	107.9	V594 K595 I597 A605 E608 V609 Y624 I638	V594-I636 WeakPolarHBondContact CA-O 3.48Å; K595-I636 HydrophobicContact CB-CB 4.31Å; K595-I636 PolarHBondContact N-O 3.08Å; K595-I636 PolarHBondContact O-N 3.11Å; I597-I636 HydrophobicContact CD1-CD1 3.6Å; I597-I636 HydrophobicContact CD1-CG1 4.16Å; A605-I636 HydrophobicContact CB-CD1 4.44Å; E608-I636 HydrophobicContact CG-CD1 4.06Å; V609-I636 HydrophobicContact CG2-CD1 3.74Å; V609-I636 HydrophobicContact CG2-CG1 4.02Å; V609-I636 HydrophobicContact CG2-CG2 4.32Å; Y624-I636 HydrophobicContact CD2-CG2 3.83Å; Y624-I636 HydrophobicContact CE2-CG2 3.87Å; I636-I638 HydrophobicContact CG2-CG2 3.84Å
637	A	96.1	Very high	94	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	122.7	173.8	0	0	0	0	0	110.3	I565 F587 V592 A593 F625 C626	I565-A637 HydrophobicContact CD1-CB 4Å; I565-A637 HydrophobicContact CG1-CB 4.25Å; F587-A637 HydrophobicContact CB-CB 4.26Å; V592-A637 HydrophobicContact CB-CB 4.34Å; V592-A637 HydrophobicContact CG1-CB 4.5Å; V592-A637 HydrophobicContact CG2-CB 4.13Å; A593-A637 WeakPolarHBondContact O-CA 3.41Å; F625-A637 HydrophobicContact CB-CB 4.4Å; F625-A637 PolarHBondContact N-O 3.37Å; C626-A637 PolarHBondContact O-N 1.86Å; C626-A637 VanDerWaalsContact SG-CB 3.58Å
638	I	95.8	Very high	94	Very high	20 Å²	20	46.8 Å²	46.8	10%	0.103	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	168.2	-178.9	65.6	-178.3	0	0	0	111.4	V592 A593 L612 I622 R623 I636 L640	V592-I638 WeakPolarHBondContact CA-O 3.5Å; V592-I638 WeakPolarHBondContact CB-O 3.43Å; A593-I638 HydrophobicContact CB-CG1 3.95Å; A593-I638 PolarHBondContact N-O 2.9Å; A593-I638 PolarHBondContact O-N 3.48Å; L612-I638 HydrophobicContact CD1-CG2 4.45Å; I622-I638 HydrophobicContact CG1-CB 4.35Å; I622-I638 HydrophobicContact CG1-CD1 4.28Å; R623-I638 CarbonylContact O-C 3.57Å; R623-I638 VanDerWaalsContact O-CA 3.23Å; R623-I638 WeakPolarHBondContact O-CA 3.36Å; R623-I638 WeakPolarHBondContact O-CB 3.45Å; I636-I638 HydrophobicContact CG2-CG2 3.84Å; I638-L640 PolarHBondContact O-N 3.47Å
639	E	95.9	Very high	94	Very high	23 Å²	23	45.3 Å²	45.3	11%	0.107	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	126.8	179.5	-173	167.3	155.6	0	0	111.7	I622 R623 F625 C641 R702	I622-E639 HydrophobicContact CD1-CB 3.92Å; I622-E639 HydrophobicContact CG1-CB 4.5Å; R623-E639 HydrophobicContact CB-CB 4.12Å; R623-E639 PolarHBondContact O-N 2.86Å; F625-E639 HydrophobicContact CE2-CB 4.35Å; F625-E639 HydrophobicContact CZ-CB 4.13Å; E639-C641 PolarHBondContact O-N 3.49Å; E639-R702 VanDerWaalsContact CD-NH2 3.3Å; E639-R702 IonicContact OE1-CZ 2.78Å; E639-R702 VanDerWaalsContact OE1-CZ 3.3Å; E639-R702 IonicContact OE1-NH1 3.84Å; E639-R702 PolarHBondContact OE1-NH1 3.37Å; E639-R702 IonicContact OE1-NH2 2.68Å; E639-R702 PolarHBondContact OE1-NH2 2.95Å; E639-R702 IonicContact OE2-CZ 3.69Å; E639-R702 IonicContact OE2-NH1 2.72Å; E639-R702 IonicContact OE2-NH2 3.6Å; E639-R702 PolarHBondContact OE2-NH2 2.9Å
640	L	96.8	Very high	94	Very high	20 Å²	20	43.5 Å²	43.5	11%	0.105	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-72.2	124.7	175	-176.1	62.7	0	0	0	109.4	L573 K584 P591 A593 I638 M694	L573-L640 HydrophobicContact CD1-CD1 3.54Å; K584-L640 HydrophobicContact CG-CD2 4.24Å; P591-L640 HydrophobicContact CB-CD2 4.09Å; A593-L640 HydrophobicContact CB-CD1 4.2Å; I638-L640 PolarHBondContact O-N 3.47Å; L640-M694 VanDerWaalsContact O-CG 3.29Å; L640-M694 WeakPolarHBondContact O-CG 3.37Å
641	C	96.3	Very high	94.1	Very high	25 Å²	25	45.6 Å²	45.6	17%	0.169	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	159.6	178.4	-69.8	0	0	0	0	111.6	I622 E639 L691 V692 M704	I622-C641 VanDerWaalsContact CD1-SG 3.56Å; E639-C641 PolarHBondContact O-N 3.49Å; C641-L691 HydrophobicContact CB-CB 3.93Å; C641-L691 HydrophobicContact CB-CD1 4.15Å; C641-L691 VanDerWaalsContact SG-CB 3.54Å; C641-V692 VanDerWaalsContact CB-O 3.3Å; C641-V692 WeakPolarHBondContact CB-O 3.47Å; C641-M704 WeakPolarHBondContact SG-CE 3.09Å
642	A	94.3	Very high	93.7	Very high	50 Å²	50	43.3 Å²	43.3	41%	0.413	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-35.4	176.2	0	0	0	0	0	112.3	V692 M694	A642-V692 PolarHBondContact N-O 2.93Å; A642-M694 HydrophobicContact CB-SD 3.87Å
643	A	94.9	Very high	93.6	Very high	8 Å²	8	45 Å²	45	7%	0.066	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	167.4	-176.8	0	0	0	0	0	112.3	E647 F654 V692	A643-E647 HydrophobicContact CB-CB 4.09Å; A643-F654 HydrophobicContact CB-CE2 3.5Å; A643-F654 HydrophobicContact CB-CZ 3.83Å; A643-V692 PolarHBondContact O-N 2.49Å
644	T	96.4	Very high	93.3	Very high	29 Å²	29	45.2 Å²	45.2	18%	0.178	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	163	161.6	61.2	0	0	0	0	111.8	Q646 E647 Y648 H688 I690 L691	T644-Q646 PolarHBondContact O-N 2.82Å; T644-E647 WeakPolarHBondContact CB-OE2 3.41Å; T644-E647 PolarHBondContact N-OE2 3.2Å; T644-E647 PolarHBondContact O-N 3.27Å; T644-E647 VanDerWaalsContact OG1-CG 3.26Å; T644-E647 WeakPolarHBondContact OG1-CG 3.32Å; T644-E647 PolarHBondContact OG1-N 3.34Å; T644-E647 PolarHBondContact OG1-OE2 2.87Å; T644-Y648 PolarHBondContact O-N 3.33Å; T644-H688 WeakPolarHBondContact CG2-O 3.34Å; T644-I690 CarbonylContact C-O 3.59Å; T644-L691 HydrophobicContact CG2-CD2 3.8Å
645	L	97.3	Very high	92.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.3	-30.8	170	175.3	57.9	0	0	0	111.9	Y648 V649 L664 P687 I690 V759 V763	L645-Y648 HydrophobicContact CD1-CD1 3.77Å; L645-Y648 HydrophobicContact CD1-CE1 4.48Å; L645-Y648 HydrophobicContact CD1-CG 4.32Å; L645-Y648 PolarHBondContact O-N 3.13Å; L645-V649 HydrophobicContact CD1-CG2 4.15Å; L645-V649 WeakPolarHBondContact O-CG2 3.4Å; L645-V649 PolarHBondContact O-N 3.19Å; L645-V649 VanDerWaalsContact O-N 3.17Å; L645-L664 HydrophobicContact CD1-CD1 3.61Å; L645-L664 HydrophobicContact CD1-CD2 3.44Å; L645-L664 VanDerWaalsContact CD1-CD2 3.44Å; L645-L664 HydrophobicContact CD1-CG 4.18Å; L645-L664 HydrophobicContact CD2-CD2 3.9Å; L645-L664 HydrophobicContact CG-CD2 4.28Å; L645-P687 CarbonylContact C-O 3.57Å; L645-P687 HydrophobicContact CB-CB 4.29Å; L645-P687 WeakPolarHBondContact CB-O 3.34Å; L645-P687 HydrophobicContact CD2-CB 4.47Å; L645-P687 HydrophobicContact CG-CB 4.22Å; L645-P687 PolarHBondContact N-O 3.38Å; L645-P687 VanDerWaalsContact N-O 3.13Å; L645-I690 HydrophobicContact CB-CB 3.93Å; L645-I690 HydrophobicContact CB-CG2 4.06Å; L645-I690 WeakPolarHBondContact CB-O 3.34Å; L645-I690 HydrophobicContact CD2-CB 4.03Å; L645-I690 HydrophobicContact CD2-CD1 3.77Å; L645-I690 HydrophobicContact CD2-CG2 4.01Å; L645-I690 PolarHBondContact N-O 3.41Å; L645-V759 HydrophobicContact CD2-CG1 3.63Å; L645-V763 HydrophobicContact CD1-CG2 3.84Å; L645-V763 HydrophobicContact CD2-CG2 3.95Å; L645-V763 HydrophobicContact CG-CG2 4.22Å
646	Q	95.6	Very high	92.6	Very high	56 Å²	56	53.9 Å²	53.9	26%	0.262	27%	0.268	S	S	.	.	H	α-helix	trans	-56.5	-52.6	171.8	-176.6	-174.9	-9.3	0	0	110.4	T644 Y648 V649 E650 P687 H688 Y762	T644-Q646 PolarHBondContact O-N 2.82Å; Q646-Y648 PolarHBondContact O-N 2.87Å; Q646-V649 PolarHBondContact O-N 2.81Å; Q646-V649 VanDerWaalsContact O-N 3.12Å; Q646-E650 VanDerWaalsContact CG-CD 3.42Å; Q646-E650 HydrophobicContact CG-CG 4.28Å; Q646-E650 VanDerWaalsContact CG-OE2 3.29Å; Q646-E650 WeakPolarHBondContact CG-OE2 3.46Å; Q646-E650 PolarHBondContact NE2-OE1 3.32Å; Q646-E650 PolarHBondContact NE2-OE2 2.89Å; Q646-E650 WeakPolarHBondContact O-CB 3.49Å; Q646-E650 PolarHBondContact O-N 2.86Å; Q646-P687 HydrophobicContact CB-CB 4.09Å; Q646-P687 PolarHBondContact N-O 3.13Å; Q646-H688 PolarHBondContact OE1-CE1 3.49Å; Q646-H688 PolarHBondContact OE1-ND1 3.48Å; Q646-Y762 WeakPolarHBondContact CA-OH 3.48Å
647	E	94.8	Very high	92.3	Very high	61 Å²	61	57.2 Å²	57.2	29%	0.285	28%	0.283	S	S	.	.	H	α-helix	trans	-66.4	-33.6	-179.1	-67.9	167.8	100.6	0	0	113.3	A643 T644 V649 K651	A643-E647 HydrophobicContact CB-CB 4.09Å; T644-E647 WeakPolarHBondContact CB-OE2 3.41Å; T644-E647 PolarHBondContact N-OE2 3.2Å; T644-E647 PolarHBondContact O-N 3.27Å; T644-E647 VanDerWaalsContact OG1-CG 3.26Å; T644-E647 WeakPolarHBondContact OG1-CG 3.32Å; T644-E647 PolarHBondContact OG1-N 3.34Å; T644-E647 PolarHBondContact OG1-OE2 2.87Å; E647-V649 PolarHBondContact O-N 2.89Å; E647-K651 HydrophobicContact CB-CD 4.07Å; E647-K651 HydrophobicContact CB-CG 4.48Å; E647-K651 VanDerWaalsContact O-CB 3.25Å; E647-K651 WeakPolarHBondContact O-CB 3.43Å; E647-K651 WeakPolarHBondContact O-CG 3.47Å; E647-K651 PolarHBondContact O-N 3.36Å; E647-K651 VanDerWaalsContact O-N 3.08Å; E647-K651 WeakPolarHBondContact OE1-CE 3.25Å; E647-K651 IonicContact OE1-NZ 3.38Å; E647-K651 PolarHBondContact OE1-NZ 3.3Å
648	Y	95.4	Very high	91.8	Very high	5 Å²	5	59.9 Å²	59.9	2%	0.02	31%	0.311	C	S	.	.	H	α-helix	trans	-61.1	-32.6	172.3	167	-79.7	0	0	0	112.5	T644 L645 Q646 F654 R656 L659 P661 L664 V692	T644-Y648 PolarHBondContact O-N 3.33Å; L645-Y648 HydrophobicContact CD1-CD1 3.77Å; L645-Y648 HydrophobicContact CD1-CE1 4.48Å; L645-Y648 HydrophobicContact CD1-CG 4.32Å; L645-Y648 PolarHBondContact O-N 3.13Å; Q646-Y648 PolarHBondContact O-N 2.87Å; Y648-F654 AromaticContact CD2-CD1 3.72Å; Y648-F654 HydrophobicContact CD2-CD1 3.72Å; Y648-F654 AromaticContact CD2-CE1 3.65Å; Y648-F654 HydrophobicContact CD2-CE1 3.65Å; Y648-F654 HydrophobicContact CE2-CD1 4.48Å; Y648-F654 HydrophobicContact CG-CD1 4.33Å; Y648-F654 HydrophobicContact CG-CE1 4.41Å; Y648-R656 HydrophobicContact CD2-CG 4.44Å; Y648-R656 HydrophobicContact CE2-CB 4.13Å; Y648-R656 HydrophobicContact CE2-CG 3.71Å; Y648-R656 WeakPolarHBondContact OH-CD 3.18Å; Y648-L659 PolarHBondContact OH-O 3.49Å; Y648-P661 WeakPolarHBondContact OH-CD 3.46Å; Y648-L664 HydrophobicContact CD1-CD1 3.81Å; Y648-L664 HydrophobicContact CD2-CD1 4Å; Y648-L664 HydrophobicContact CE1-CD1 3.72Å; Y648-L664 HydrophobicContact CE2-CD1 3.89Å; Y648-L664 HydrophobicContact CG-CD1 3.99Å; Y648-V692 HydrophobicContact CD2-CG2 4.3Å
649	V	95.1	Very high	91.6	Very high	25 Å²	25	59 Å²	59	15%	0.152	31%	0.307	C	S	.	.	H	α-helix	trans	-87.4	-44.5	178.5	174.4	0	0	0	0	112	L645 Q646 E647 Y762 V763 Q766	L645-V649 HydrophobicContact CD1-CG2 4.15Å; L645-V649 WeakPolarHBondContact O-CG2 3.4Å; L645-V649 PolarHBondContact O-N 3.19Å; L645-V649 VanDerWaalsContact O-N 3.17Å; Q646-V649 PolarHBondContact O-N 2.81Å; Q646-V649 VanDerWaalsContact O-N 3.12Å; E647-V649 PolarHBondContact O-N 2.89Å; V649-Y762 HydrophobicContact CB-CE1 3.7Å; V649-Y762 HydrophobicContact CG1-CE1 3.89Å; V649-Y762 HydrophobicContact CG2-CD1 4.12Å; V649-Y762 HydrophobicContact CG2-CE1 3.6Å; V649-V763 HydrophobicContact CG2-CG2 4.21Å; V649-Q766 VanDerWaalsContact CG1-C 3.42Å
650	E	92.8	Very high	91.6	Very high	108 Å²	108	62.4 Å²	62.4	51%	0.505	32%	0.322	S	S	.	.	H	α-helix	trans	-86.5	-23.5	-169	-68.8	175.6	-178.5	0	0	113.9	Q646 K652 Y762	Q646-E650 VanDerWaalsContact CG-CD 3.42Å; Q646-E650 HydrophobicContact CG-CG 4.28Å; Q646-E650 VanDerWaalsContact CG-OE2 3.29Å; Q646-E650 WeakPolarHBondContact CG-OE2 3.46Å; Q646-E650 PolarHBondContact NE2-OE1 3.32Å; Q646-E650 PolarHBondContact NE2-OE2 2.89Å; Q646-E650 WeakPolarHBondContact O-CB 3.49Å; Q646-E650 PolarHBondContact O-N 2.86Å; E650-K652 PolarHBondContact O-N 2.71Å; E650-Y762 WeakPolarHBondContact CG-OH 3.27Å; E650-Y762 PolarHBondContact OE1-OH 2.9Å
651	K	91.7	Very high	91.5	Very high	100 Å²	100	62.9 Å²	62.9	44%	0.435	33%	0.327	S	S	.	.			trans	-86.2	109.6	175.9	-63.2	177.6	-175.2	170.1	0	110.4	E647 D653 F654	E647-K651 HydrophobicContact CB-CD 4.07Å; E647-K651 HydrophobicContact CB-CG 4.48Å; E647-K651 VanDerWaalsContact O-CB 3.25Å; E647-K651 WeakPolarHBondContact O-CB 3.43Å; E647-K651 WeakPolarHBondContact O-CG 3.47Å; E647-K651 PolarHBondContact O-N 3.36Å; E647-K651 VanDerWaalsContact O-N 3.08Å; E647-K651 WeakPolarHBondContact OE1-CE 3.25Å; E647-K651 IonicContact OE1-NZ 3.38Å; E647-K651 PolarHBondContact OE1-NZ 3.3Å; K651-D653 VanDerWaalsContact C-N 3.26Å; K651-D653 PolarHBondContact O-N 3.45Å; K651-F654 HydrophobicContact CB-CB 4.17Å; K651-F654 VanDerWaalsContact O-CB 3.3Å; K651-F654 WeakPolarHBondContact O-CB 3.44Å; K651-F654 PolarHBondContact O-N 3Å; K651-F654 VanDerWaalsContact O-N 3.12Å
652	K	79	Confident	91.5	Very high	202 Å²	202	64.7 Å²	64.7	88%	0.878	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-41	179.8	-66.9	-175.2	177.2	-178.3	0	113.5	E650 F654	E650-K652 PolarHBondContact O-N 2.71Å; K652-F654 VanDerWaalsContact C-N 3.31Å; K652-F654 PolarHBondContact O-N 2.92Å
653	D	83.6	Confident	91.6	Very high	162 Å²	162	66.4 Å²	66.4	87%	0.866	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	22.1	-175.9	-46.8	-65.5	0	0	0	112.9	K651 N655	K651-D653 VanDerWaalsContact C-N 3.26Å; K651-D653 PolarHBondContact O-N 3.45Å; D653-N655 PolarHBondContact O-N 3.31Å
654	F	85.3	Confident	91.7	Very high	41 Å²	41	66 Å²	66	18%	0.18	33%	0.334	C	S	.	.			trans	-68.4	115.7	179.1	-168.2	-91.9	0	0	0	111.6	A643 Y648 K651 K652 R656	A643-F654 HydrophobicContact CB-CE2 3.5Å; A643-F654 HydrophobicContact CB-CZ 3.83Å; Y648-F654 AromaticContact CD2-CD1 3.72Å; Y648-F654 HydrophobicContact CD2-CD1 3.72Å; Y648-F654 AromaticContact CD2-CE1 3.65Å; Y648-F654 HydrophobicContact CD2-CE1 3.65Å; Y648-F654 HydrophobicContact CE2-CD1 4.48Å; Y648-F654 HydrophobicContact CG-CD1 4.33Å; Y648-F654 HydrophobicContact CG-CE1 4.41Å; K651-F654 HydrophobicContact CB-CB 4.17Å; K651-F654 VanDerWaalsContact O-CB 3.3Å; K651-F654 WeakPolarHBondContact O-CB 3.44Å; K651-F654 PolarHBondContact O-N 3Å; K651-F654 VanDerWaalsContact O-N 3.12Å; K652-F654 VanDerWaalsContact C-N 3.31Å; K652-F654 PolarHBondContact O-N 2.92Å; F654-R656 HydrophobicContact CD1-CG 4.36Å; F654-R656 PolarHBondContact O-N 3.38Å
655	N	85.5	Confident	91.8	Very high	103 Å²	103	64.7 Å²	64.7	55%	0.551	33%	0.326	S	S	*	.			trans	-67.5	105.6	172.2	-173.9	-9.9	0	0	0	109.9	D653 H657	D653-N655 PolarHBondContact O-N 3.31Å; N655-H657 PolarHBondContact O-CD2 3.31Å; N655-H657 PolarHBondContact O-N 3.43Å; N655-H657 PolarHBondContact OD1-N 2.97Å
656	R	87	Confident	91.9	Very high	92 Å²	92	68.5 Å²	68.5	35%	0.347	34%	0.344	S	S	.	.			trans	-70.6	-12.5	-178.5	-61.7	-173.9	178.6	169	2.7	114.1	Y648 F654 G658 L659 E660	Y648-R656 HydrophobicContact CD2-CG 4.44Å; Y648-R656 HydrophobicContact CE2-CB 4.13Å; Y648-R656 HydrophobicContact CE2-CG 3.71Å; Y648-R656 WeakPolarHBondContact OH-CD 3.18Å; F654-R656 HydrophobicContact CD1-CG 4.36Å; F654-R656 PolarHBondContact O-N 3.38Å; R656-G658 PolarHBondContact O-N 2.99Å; R656-L659 WeakPolarHBondContact O-CB 3.42Å; R656-L659 PolarHBondContact O-N 2.88Å; R656-E660 IonicContact NH1-OE2 3.64Å
657	H	87.9	Confident	92	Very high	71 Å²	71	67.7 Å²	67.7	33%	0.329	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	32.3	-179.2	-72.7	-82.7	0	0	0	114.1	N655 L659 G699 V701	N655-H657 PolarHBondContact O-CD2 3.31Å; N655-H657 PolarHBondContact O-N 3.43Å; N655-H657 PolarHBondContact OD1-N 2.97Å; H657-L659 VanDerWaalsContact C-N 3.3Å; H657-L659 PolarHBondContact O-N 2.96Å; H657-G699 PolarHBondContact ND1-O 3.44Å; H657-V701 HydrophobicContact CB-CB 4.35Å; H657-V701 HydrophobicContact CB-CG1 3.74Å; H657-V701 HydrophobicContact CB-CG2 3.8Å
658	G	86.1	Confident	92.2	Very high	56 Å²	56	65 Å²	65	58%	0.577	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	7.8	-177.3	0	0	0	0	0	115.7	R656 E660	R656-G658 PolarHBondContact O-N 2.99Å; G658-E660 PolarHBondContact O-N 2.17Å
659	L	92.9	Very high	92.4	Very high	3 Å²	3	64.7 Å²	64.7	2%	0.016	33%	0.326	C	S	.	.			trans	-84	96.7	170.7	180	65.9	0	0	0	109.4	Y648 R656 H657 M663 L664 V692 V701	Y648-L659 PolarHBondContact OH-O 3.49Å; R656-L659 WeakPolarHBondContact O-CB 3.42Å; R656-L659 PolarHBondContact O-N 2.88Å; H657-L659 VanDerWaalsContact C-N 3.3Å; H657-L659 PolarHBondContact O-N 2.96Å; L659-M663 HydrophobicContact CD1-CB 3.99Å; L659-L664 HydrophobicContact CD1-CB 4.31Å; L659-L664 HydrophobicContact CD2-CB 4.27Å; L659-L664 HydrophobicContact CD2-CD1 3.95Å; L659-L664 HydrophobicContact CD2-CG 4.22Å; L659-L664 HydrophobicContact CG-CB 4.13Å; L659-L664 HydrophobicContact CG-CD1 4.44Å; L659-V692 HydrophobicContact CD2-CG1 4.33Å; L659-V701 HydrophobicContact CB-CG2 3.59Å; L659-V701 HydrophobicContact CD2-CG2 3.91Å; L659-V701 HydrophobicContact CG-CG2 4.38Å
660	E	94.3	Very high	92.5	Very high	94 Å²	94	65.5 Å²	65.5	44%	0.439	33%	0.333	S	S	.	.			trans	-77.2	155.1	178.1	-71.9	-52.3	135.6	0	0	113.2	R656 G658 V662 M663 L664	R656-E660 IonicContact NH1-OE2 3.64Å; G658-E660 PolarHBondContact O-N 2.17Å; E660-V662 VanDerWaalsContact C-N 3.31Å; E660-V662 PolarHBondContact O-N 2.43Å; E660-V662 VanDerWaalsContact O-N 3.15Å; E660-M663 HydrophobicContact CB-SD 4.48Å; E660-M663 WeakPolarHBondContact O-CB 3.43Å; E660-M663 PolarHBondContact O-N 2.8Å; E660-L664 PolarHBondContact O-N 3.34Å
661	P	95.3	Very high	92.8	Very high	30 Å²	30	60.3 Å²	60.3	20%	0.195	31%	0.309	C	S	.	.	H	α-helix	trans	-49.5	-42.6	-176.4	-31.5	36.6	0	0	0	115.3	Y648 L664 L665 V763	Y648-P661 WeakPolarHBondContact OH-CD 3.46Å; P661-L664 WeakPolarHBondContact O-CB 3.24Å; P661-L664 PolarHBondContact O-N 2.71Å; P661-L665 WeakPolarHBondContact O-CG 3.49Å; P661-L665 PolarHBondContact O-N 3.38Å; P661-V763 HydrophobicContact CB-CG1 3.69Å
662	V	95.9	Very high	93.1	Very high	62 Å²	62	55.6 Å²	55.6	38%	0.376	29%	0.288	S	S	.	.	H	α-helix	trans	-68.2	-40.3	179.1	-179.7	0	0	0	0	111.2	E660 L664 L665 Q666 F827 F828	E660-V662 VanDerWaalsContact C-N 3.31Å; E660-V662 PolarHBondContact O-N 2.43Å; E660-V662 VanDerWaalsContact O-N 3.15Å; V662-L664 VanDerWaalsContact C-N 3.34Å; V662-L664 PolarHBondContact O-N 3.04Å; V662-L665 PolarHBondContact O-N 3.13Å; V662-Q666 WeakPolarHBondContact O-CB 3.4Å; V662-Q666 PolarHBondContact O-N 3.45Å; V662-F827 HydrophobicContact CG1-CE1 4.32Å; V662-F827 WeakPolarHBondContact CG1-O 3.35Å; V662-F827 HydrophobicContact CG2-CZ 4.23Å; V662-F828 HydrophobicContact CG1-CD1 3.86Å; V662-F828 HydrophobicContact CG1-CE1 4.21Å
663	M	96.7	Very high	94	Very high	86 Å²	86	46.6 Å²	46.6	42%	0.424	25%	0.252	S	S	.	.	H	α-helix	trans	-65.5	-38.5	175.9	-65.1	175.2	64.4	0	0	111.5	L659 E660 Q666 Q667	L659-M663 HydrophobicContact CD1-CB 3.99Å; E660-M663 HydrophobicContact CB-SD 4.48Å; E660-M663 WeakPolarHBondContact O-CB 3.43Å; E660-M663 PolarHBondContact O-N 2.8Å; M663-Q666 PolarHBondContact O-N 2.85Å; M663-Q667 VanDerWaalsContact O-CB 3.32Å; M663-Q667 WeakPolarHBondContact O-CB 3.4Å; M663-Q667 VanDerWaalsContact O-CG 3.25Å; M663-Q667 WeakPolarHBondContact O-CG 3.37Å; M663-Q667 PolarHBondContact O-N 2.91Å
664	L	97.9	Very high	94.6	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-60.7	-47.7	175.3	-171.8	152.5	0	0	0	111.2	L645 Y648 L659 E660 P661 V662 Q667 T668 V692 A703	L645-L664 HydrophobicContact CD1-CD1 3.61Å; L645-L664 HydrophobicContact CD1-CD2 3.44Å; L645-L664 VanDerWaalsContact CD1-CD2 3.44Å; L645-L664 HydrophobicContact CD1-CG 4.18Å; L645-L664 HydrophobicContact CD2-CD2 3.9Å; L645-L664 HydrophobicContact CG-CD2 4.28Å; Y648-L664 HydrophobicContact CD1-CD1 3.81Å; Y648-L664 HydrophobicContact CD2-CD1 4Å; Y648-L664 HydrophobicContact CE1-CD1 3.72Å; Y648-L664 HydrophobicContact CE2-CD1 3.89Å; Y648-L664 HydrophobicContact CG-CD1 3.99Å; L659-L664 HydrophobicContact CD1-CB 4.31Å; L659-L664 HydrophobicContact CD2-CB 4.27Å; L659-L664 HydrophobicContact CD2-CD1 3.95Å; L659-L664 HydrophobicContact CD2-CG 4.22Å; L659-L664 HydrophobicContact CG-CB 4.13Å; L659-L664 HydrophobicContact CG-CD1 4.44Å; E660-L664 PolarHBondContact O-N 3.34Å; P661-L664 WeakPolarHBondContact O-CB 3.24Å; P661-L664 PolarHBondContact O-N 2.71Å; V662-L664 VanDerWaalsContact C-N 3.34Å; V662-L664 PolarHBondContact O-N 3.04Å; L664-Q667 PolarHBondContact O-N 2.91Å; L664-T668 WeakPolarHBondContact O-CB 3.48Å; L664-T668 PolarHBondContact O-N 2.96Å; L664-T668 PolarHBondContact O-OG1 2.91Å; L664-V692 HydrophobicContact CD1-CG2 4.49Å; L664-A703 HydrophobicContact CG-CB 3.98Å
665	L	98.5	Very high	95.1	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.7	-38.2	177.4	-67	176.1	0	0	0	111.9	P661 V662 T668 M669 V759 F760 V763 V764 F827 F828	P661-L665 WeakPolarHBondContact O-CG 3.49Å; P661-L665 PolarHBondContact O-N 3.38Å; V662-L665 PolarHBondContact O-N 3.13Å; L665-T668 PolarHBondContact O-N 3.1Å; L665-M669 WeakPolarHBondContact O-CG 3.42Å; L665-M669 PolarHBondContact O-N 3.07Å; L665-V759 HydrophobicContact CD2-CG1 4.17Å; L665-F760 HydrophobicContact CB-CD2 4.46Å; L665-F760 HydrophobicContact CB-CE1 4.45Å; L665-F760 HydrophobicContact CB-CE2 4.13Å; L665-F760 HydrophobicContact CB-CZ 4.14Å; L665-F760 HydrophobicContact CD1-CB 4.32Å; L665-F760 HydrophobicContact CD1-CD1 4.05Å; L665-F760 HydrophobicContact CD1-CD2 4.24Å; L665-F760 HydrophobicContact CD1-CE1 4.47Å; L665-F760 HydrophobicContact CD1-CG 3.94Å; L665-F760 HydrophobicContact CD2-CD2 3.68Å; L665-F760 HydrophobicContact CD2-CE2 4.03Å; L665-F760 HydrophobicContact CD2-CG 4.18Å; L665-F760 HydrophobicContact CG-CD2 4.34Å; L665-F760 HydrophobicContact CG-CE2 4.49Å; L665-V763 HydrophobicContact CD1-CB 4.15Å; L665-V763 HydrophobicContact CD1-CG1 3.98Å; L665-V763 HydrophobicContact CD2-CB 4.07Å; L665-V763 HydrophobicContact CD2-CG1 4.32Å; L665-V763 HydrophobicContact CD2-CG2 3.94Å; L665-V763 HydrophobicContact CG-CB 4.3Å; L665-V763 HydrophobicContact CG-CG1 4.06Å; L665-V764 HydrophobicContact CD1-CG1 4.44Å; L665-F827 HydrophobicContact CB-CE1 4.46Å; L665-F827 HydrophobicContact CD1-CE1 3.93Å; L665-F827 HydrophobicContact CD1-CZ 3.87Å; L665-F828 HydrophobicContact CB-CE1 4.21Å; L665-F828 HydrophobicContact CB-CZ 4.36Å
666	Q	98.4	Very high	95.6	Very high	80 Å²	80	35 Å²	35	37%	0.374	19%	0.19	S	C	.	.	H	α-helix	trans	-62.4	-47	175.9	-165.7	-177.8	25.4	0	0	111.6	V662 M663 M669 S670 L823 F828	V662-Q666 WeakPolarHBondContact O-CB 3.4Å; V662-Q666 PolarHBondContact O-N 3.45Å; M663-Q666 PolarHBondContact O-N 2.85Å; Q666-M669 PolarHBondContact O-N 3.35Å; Q666-S670 PolarHBondContact O-N 3.13Å; Q666-L823 HydrophobicContact CG-CD2 3.95Å; Q666-F828 VanDerWaalsContact CA-CE1 3.45Å; Q666-F828 HydrophobicContact CB-CD1 3.57Å; Q666-F828 HydrophobicContact CB-CE1 3.54Å; Q666-F828 HydrophobicContact CB-CG 4.47Å; Q666-F828 HydrophobicContact CB-CZ 4.4Å; Q666-F828 HydrophobicContact CG-CD1 3.77Å; Q666-F828 HydrophobicContact CG-CE1 4.13Å; Q666-F828 HydrophobicContact CG-CG 4.22Å
667	Q	98.4	Very high	96	Very high	40 Å²	40	33.4 Å²	33.4	19%	0.187	19%	0.192	C	C	.	.	H	α-helix	trans	-61.9	-43.4	176.2	-77.6	176.1	17.3	0	0	111.6	N620 M663 L664 M669 S670 G671 R702 A703	N620-Q667 WeakPolarHBondContact CB-O 3.36Å; N620-Q667 VanDerWaalsContact CG-O 3.31Å; N620-Q667 WeakPolarHBondContact ND2-CB 3.42Å; M663-Q667 VanDerWaalsContact O-CB 3.32Å; M663-Q667 WeakPolarHBondContact O-CB 3.4Å; M663-Q667 VanDerWaalsContact O-CG 3.25Å; M663-Q667 WeakPolarHBondContact O-CG 3.37Å; M663-Q667 PolarHBondContact O-N 2.91Å; L664-Q667 PolarHBondContact O-N 2.91Å; Q667-M669 PolarHBondContact O-N 3.28Å; Q667-S670 PolarHBondContact O-N 3.36Å; Q667-G671 PolarHBondContact O-N 2.7Å; Q667-R702 VanDerWaalsContact OE1-CA 3.28Å; Q667-A703 HydrophobicContact CB-CB 3.94Å
668	T	98.6	Very high	96.2	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.018	19%	0.191	C	C	.	.	H	α-helix	trans	-57.6	-47.1	173.9	-56.7	0	0	0	0	111.1	L664 L665 S670 G671 L672 I690 I705	L664-T668 WeakPolarHBondContact O-CB 3.48Å; L664-T668 PolarHBondContact O-N 2.96Å; L664-T668 PolarHBondContact O-OG1 2.91Å; L665-T668 PolarHBondContact O-N 3.1Å; T668-S670 PolarHBondContact O-N 3.27Å; T668-G671 PolarHBondContact O-N 2.65Å; T668-L672 PolarHBondContact O-N 2.75Å; T668-I690 HydrophobicContact CG2-CD1 3.7Å; T668-I690 HydrophobicContact CG2-CG1 4.09Å; T668-I690 HydrophobicContact CG2-CG2 4.45Å; T668-I705 HydrophobicContact CG2-CD1 4.47Å; T668-I705 HydrophobicContact CG2-CG1 4.39Å
669	M	98.6	Very high	96.6	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-69.7	-28.7	178.2	-68.4	-52.1	-58.4	0	0	113.8	L665 Q666 Q667 L672 A673 I753 A756 F760 M808 A819 V822 L823	L665-M669 WeakPolarHBondContact O-CG 3.42Å; L665-M669 PolarHBondContact O-N 3.07Å; Q666-M669 PolarHBondContact O-N 3.35Å; Q667-M669 PolarHBondContact O-N 3.28Å; M669-L672 HydrophobicContact CE-CD2 3.91Å; M669-L672 PolarHBondContact O-N 2.98Å; M669-L672 HydrophobicContact SD-CD2 4.12Å; M669-A673 VanDerWaalsContact O-CB 3.26Å; M669-A673 WeakPolarHBondContact O-CB 3.48Å; M669-A673 PolarHBondContact O-N 2.79Å; M669-I753 HydrophobicContact CE-CD1 4.11Å; M669-A756 HydrophobicContact SD-CB 3.91Å; M669-F760 HydrophobicContact CG-CE2 3.68Å; M669-F760 HydrophobicContact CG-CZ 3.52Å; M669-F760 HydrophobicContact SD-CE2 3.77Å; M669-F760 HydrophobicContact SD-CZ 4.07Å; M669-M808 HydrophobicContact SD-CE 4.31Å; M669-A819 HydrophobicContact CE-CB 3.62Å; M669-V822 HydrophobicContact CE-CB 3.94Å; M669-V822 HydrophobicContact CE-CG1 3.84Å; M669-V822 HydrophobicContact CE-CG2 4.2Å; M669-V822 HydrophobicContact CG-CG1 3.87Å; M669-V822 HydrophobicContact SD-CG1 4.31Å; M669-L823 HydrophobicContact CB-CD2 3.75Å; M669-L823 HydrophobicContact CB-CG 3.96Å
670	S	98.4	Very high	96.7	Very high	41 Å²	41	33.8 Å²	33.8	29%	0.287	18%	0.179	S	C	.	.	H	α-helix	trans	-64.6	-44.2	170.7	-161.9	0	0	0	0	111	H618 Q666 Q667 T668 L672 A673 H674	H618-S670 VanDerWaalsContact CE1-C 3.4Å; H618-S670 PolarHBondContact CE1-O 2.61Å; H618-S670 PolarHBondContact CE1-OG 3.16Å; H618-S670 PolarHBondContact NE2-OG 2.76Å; Q666-S670 PolarHBondContact O-N 3.13Å; Q667-S670 PolarHBondContact O-N 3.36Å; T668-S670 PolarHBondContact O-N 3.27Å; S670-L672 PolarHBondContact O-N 3.46Å; S670-A673 PolarHBondContact O-N 2.85Å; S670-H674 PolarHBondContact O-N 2.69Å
671	G	97.9	Very high	96.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-58.4	-46.4	172.1	0	0	0	0	0	112.2	H618 Q667 T668 H674 L675	H618-G671 PolarHBondContact CE1-N 3.38Å; Q667-G671 PolarHBondContact O-N 2.7Å; T668-G671 PolarHBondContact O-N 2.65Å; G671-H674 WeakPolarHBondContact O-CB 3.25Å; G671-H674 PolarHBondContact O-N 2.83Å; G671-L675 WeakPolarHBondContact O-CG 3.47Å; G671-L675 PolarHBondContact O-N 2.89Å; G671-L675 VanDerWaalsContact O-N 3.08Å
672	L	98.3	Very high	96.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-67.2	-40.5	-179.7	-168.6	62.7	0	0	0	112.7	T668 M669 S670 H674 L675 H676 H682 L685 I705 D752 I753 A756	T668-L672 PolarHBondContact O-N 2.75Å; M669-L672 HydrophobicContact CE-CD2 3.91Å; M669-L672 PolarHBondContact O-N 2.98Å; M669-L672 HydrophobicContact SD-CD2 4.12Å; S670-L672 PolarHBondContact O-N 3.46Å; L672-H674 VanDerWaalsContact C-N 3.32Å; L672-H674 PolarHBondContact O-N 2.68Å; L672-L675 PolarHBondContact O-N 3.13Å; L672-H676 WeakPolarHBondContact CD1-NE2 3.41Å; L672-H676 PolarHBondContact O-CD2 3.08Å; L672-H676 VanDerWaalsContact O-CG 3.3Å; L672-H676 PolarHBondContact O-N 3.36Å; L672-H682 HydrophobicContact CD1-CB 4.35Å; L672-L685 HydrophobicContact CD1-CD2 4.42Å; L672-L685 HydrophobicContact CD2-CD2 3.96Å; L672-I705 HydrophobicContact CB-CD1 3.86Å; L672-I705 HydrophobicContact CD1-CD1 4.28Å; L672-D752 HydrophobicContact CD1-CB 3.83Å; L672-D752 HydrophobicContact CD2-CB 3.92Å; L672-D752 HydrophobicContact CG-CB 4.39Å; L672-I753 HydrophobicContact CD2-CD1 4.26Å; L672-A756 HydrophobicContact CD2-CB 4.44Å
673	A	97.6	Very high	96.5	Very high	14 Å²	14	26.2 Å²	26.2	12%	0.116	14%	0.136	C	C	.	.	H	α-helix	trans	-61.1	-40.7	174.3	0	0	0	0	0	111.6	M669 S670 H676 S677 A819 E820 L823	M669-A673 VanDerWaalsContact O-CB 3.26Å; M669-A673 WeakPolarHBondContact O-CB 3.48Å; M669-A673 PolarHBondContact O-N 2.79Å; S670-A673 PolarHBondContact O-N 2.85Å; A673-H676 PolarHBondContact O-N 2.77Å; A673-S677 WeakPolarHBondContact O-CB 3.46Å; A673-S677 PolarHBondContact O-N 3.45Å; A673-A819 HydrophobicContact CB-CB 3.78Å; A673-E820 HydrophobicContact CB-CG 4.42Å; A673-L823 HydrophobicContact CB-CD1 4.04Å
674	H	97.2	Very high	96.3	Very high	42 Å²	42	22.4 Å²	22.4	19%	0.194	12%	0.118	C	C	.	.	H	α-helix	trans	-60.3	-48.2	173.7	179.5	72.2	0	0	0	111.9	S615 H618 S670 G671 L672 H676 S677 L678	S615-H674 PolarHBondContact O-NE2 3.1Å; H618-H674 HydrophobicContact CB-CB 4.17Å; H618-H674 WeakPolarHBondContact CB-CD2 3.27Å; H618-H674 AromaticContact CD2-CG 3.86Å; H618-H674 AromaticContact CG-CD2 3.91Å; H618-H674 AromaticContact CG-CG 3.68Å; S670-H674 PolarHBondContact O-N 2.69Å; G671-H674 WeakPolarHBondContact O-CB 3.25Å; G671-H674 PolarHBondContact O-N 2.83Å; L672-H674 VanDerWaalsContact C-N 3.32Å; L672-H674 PolarHBondContact O-N 2.68Å; H674-H676 PolarHBondContact O-N 3.38Å; H674-S677 WeakPolarHBondContact O-CB 3.28Å; H674-S677 PolarHBondContact O-N 2.85Å; H674-S677 VanDerWaalsContact O-N 3.11Å; H674-S677 PolarHBondContact O-OG 3.36Å; H674-L678 VanDerWaalsContact NE2-CD1 3.31Å; H674-L678 WeakPolarHBondContact NE2-CD1 3.48Å; H674-L678 PolarHBondContact O-N 2.91Å
675	L	96.3	Very high	96.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59.3	-43.9	175.9	-64.7	-178.8	0	0	0	112.4	V621 G671 L672 S677 L678 K679 I680 I705 F708	V621-L675 HydrophobicContact CG2-CD2 4.17Å; V621-L675 HydrophobicContact CG2-CG 4.36Å; G671-L675 WeakPolarHBondContact O-CG 3.47Å; G671-L675 PolarHBondContact O-N 2.89Å; G671-L675 VanDerWaalsContact O-N 3.08Å; L672-L675 PolarHBondContact O-N 3.13Å; L675-S677 VanDerWaalsContact C-N 3.3Å; L675-S677 PolarHBondContact O-N 3.23Å; L675-L678 CarbonylContact O-C 3.43Å; L675-L678 PolarHBondContact O-N 2.93Å; L675-L678 VanDerWaalsContact O-N 3.14Å; L675-K679 PolarHBondContact O-N 3.22Å; L675-K679 VanDerWaalsContact O-N 3.16Å; L675-I680 CarbonylContact C-O 3.58Å; L675-I680 HydrophobicContact CB-CB 4.26Å; L675-I680 HydrophobicContact CD2-CD1 4.24Å; L675-I680 PolarHBondContact O-N 3.29Å; L675-I705 HydrophobicContact CD1-CD1 4.49Å; L675-I705 HydrophobicContact CD1-CG2 4.18Å; L675-F708 HydrophobicContact CD1-CE1 4.25Å; L675-F708 HydrophobicContact CD1-CZ 3.95Å; L675-F708 HydrophobicContact CD2-CE1 3.69Å; L675-F708 HydrophobicContact CD2-CZ 3.8Å
676	H	95.4	Very high	96.1	Very high	21 Å²	21	23.3 Å²	23.3	10%	0.097	12%	0.121	C	C	.	.	H	α-helix	trans	-65.1	-33.2	176.4	-67.6	-173.7	0	0	0	112.1	L672 A673 H674 K679 I680 Y749 D752	L672-H676 WeakPolarHBondContact CD1-NE2 3.41Å; L672-H676 PolarHBondContact O-CD2 3.08Å; L672-H676 VanDerWaalsContact O-CG 3.3Å; L672-H676 PolarHBondContact O-N 3.36Å; A673-H676 PolarHBondContact O-N 2.77Å; H674-H676 PolarHBondContact O-N 3.38Å; H676-K679 PolarHBondContact O-N 2.88Å; H676-K679 PolarHBondContact O-NZ 3.32Å; H676-I680 PolarHBondContact CD2-O 2.92Å; H676-Y749 HydrophobicContact CB-CD1 4Å; H676-Y749 HydrophobicContact CB-CE1 4.49Å; H676-Y749 AromaticContact CD2-CD1 3.68Å; H676-Y749 AromaticContact CG-CD1 3.73Å; H676-D752 IonicContact CD2-OD2 3.04Å; H676-D752 IonicContact CE1-OD2 2.76Å; H676-D752 IonicContact NE2-OD2 2.68Å; H676-D752 PolarHBondContact NE2-OD2 2.68Å
677	S	94.7	Very high	96	Very high	57 Å²	57	19.6 Å²	19.6	40%	0.399	10%	0.104	S	C	.	.	H	α-helix	trans	-63.6	-39.5	172.3	87.7	0	0	0	0	111.7	A673 H674 L675 K679	A673-S677 WeakPolarHBondContact O-CB 3.46Å; A673-S677 PolarHBondContact O-N 3.45Å; H674-S677 WeakPolarHBondContact O-CB 3.28Å; H674-S677 PolarHBondContact O-N 2.85Å; H674-S677 VanDerWaalsContact O-N 3.11Å; H674-S677 PolarHBondContact O-OG 3.36Å; L675-S677 VanDerWaalsContact C-N 3.3Å; L675-S677 PolarHBondContact O-N 3.23Å; S677-K679 PolarHBondContact O-N 3.3Å; S677-K679 PolarHBondContact O-NZ 2.92Å
678	L	93.8	Very high	95.8	Very high	57 Å²	57	21.7 Å²	21.7	30%	0.298	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	2.1	175.2	-64.8	174.6	0	0	0	114.3	E614 S615 H674 L675 I680	E614-L678 WeakPolarHBondContact O-CD1 3.22Å; S615-L678 VanDerWaalsContact CB-CD1 3.45Å; H674-L678 VanDerWaalsContact NE2-CD1 3.31Å; H674-L678 WeakPolarHBondContact NE2-CD1 3.48Å; H674-L678 PolarHBondContact O-N 2.91Å; L675-L678 CarbonylContact O-C 3.43Å; L675-L678 PolarHBondContact O-N 2.93Å; L675-L678 VanDerWaalsContact O-N 3.14Å; L678-I680 VanDerWaalsContact C-N 3.28Å; L678-I680 HydrophobicContact CB-CD1 4.12Å; L678-I680 HydrophobicContact CB-CG1 4.17Å; L678-I680 HydrophobicContact CD1-CD1 4.42Å; L678-I680 PolarHBondContact O-N 3.45Å
679	K	94.3	Very high	95.7	Very high	82 Å²	82	22.2 Å²	22.2	36%	0.357	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	27.3	-177.8	-48.1	-69	156.7	-82.1	0	113.3	L675 H676 S677 K713 L714 Y749	L675-K679 PolarHBondContact O-N 3.22Å; L675-K679 VanDerWaalsContact O-N 3.16Å; H676-K679 PolarHBondContact O-N 2.88Å; H676-K679 PolarHBondContact O-NZ 3.32Å; S677-K679 PolarHBondContact O-N 3.3Å; S677-K679 PolarHBondContact O-NZ 2.92Å; K679-K713 CarbonylContact O-C 3.59Å; K679-K713 WeakPolarHBondContact O-CA 3.37Å; K679-L714 HydrophobicContact CB-CB 4.48Å; K679-L714 PolarHBondContact O-N 3.07Å; K679-Y749 WeakPolarHBondContact CD-OH 3.44Å
680	I	93.8	Very high	95.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	130.2	172.8	-55.7	173.9	0	0	0	108.5	L611 L675 H676 L678 C711 K713	L611-I680 HydrophobicContact CD2-CD1 4.18Å; L611-I680 HydrophobicContact CD2-CG1 4.32Å; L675-I680 CarbonylContact C-O 3.58Å; L675-I680 HydrophobicContact CB-CB 4.26Å; L675-I680 HydrophobicContact CD2-CD1 4.24Å; L675-I680 PolarHBondContact O-N 3.29Å; H676-I680 PolarHBondContact CD2-O 2.92Å; L678-I680 VanDerWaalsContact C-N 3.28Å; L678-I680 HydrophobicContact CB-CD1 4.12Å; L678-I680 HydrophobicContact CB-CG1 4.17Å; L678-I680 HydrophobicContact CD1-CD1 4.42Å; L678-I680 PolarHBondContact O-N 3.45Å; I680-C711 HydrophobicContact CG2-CB 4.05Å; I680-K713 HydrophobicContact CG1-CB 4.45Å
681	V	94.3	Very high	95.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	133	169.6	-168	0	0	0	0	108.3	R683 C711 K712 L714 F721 Y749 V751 D752	V681-R683 HydrophobicContact CB-CG 4.14Å; V681-R683 HydrophobicContact CG1-CG 3.8Å; V681-C711 CarbonylContact O-C 3.58Å; V681-C711 WeakPolarHBondContact O-CA 3.44Å; V681-K712 PolarHBondContact N-O 2.85Å; V681-K712 PolarHBondContact O-N 3.25Å; V681-L714 HydrophobicContact CG2-CD1 4.14Å; V681-L714 HydrophobicContact CG2-CD2 4.18Å; V681-L714 HydrophobicContact CG2-CG 4.09Å; V681-F721 HydrophobicContact CB-CE1 4.45Å; V681-F721 HydrophobicContact CG1-CE1 4.02Å; V681-F721 HydrophobicContact CG2-CD1 4.37Å; V681-F721 HydrophobicContact CG2-CE1 4.44Å; V681-Y749 HydrophobicContact CG2-CD1 3.77Å; V681-Y749 HydrophobicContact CG2-CE1 3.89Å; V681-Y749 HydrophobicContact CG2-CG 4.47Å; V681-V751 HydrophobicContact CG1-CG2 3.64Å; V681-D752 VanDerWaalsContact CG1-OD2 3.26Å; V681-D752 WeakPolarHBondContact CG1-OD2 3.42Å
682	H	94.5	Very high	95.6	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	11%	0.11	C	C	.	.			trans	-75.7	-45.7	-171.7	-165.6	-96.8	0	0	0	113	L672 D684 L685 I705 S706 C711 D752	L672-H682 HydrophobicContact CD1-CB 4.35Å; H682-D684 PolarHBondContact CE1-O 2.8Å; H682-D684 VanDerWaalsContact ND1-C 3.3Å; H682-D684 PolarHBondContact ND1-O 3.29Å; H682-D684 PolarHBondContact O-N 2.92Å; H682-L685 WeakPolarHBondContact ND1-CA 3.49Å; H682-L685 PolarHBondContact ND1-N 2.84Å; H682-I705 VanDerWaalsContact CD2-CG2 3.44Å; H682-I705 WeakPolarHBondContact CD2-CG2 3.5Å; H682-I705 VanDerWaalsContact NE2-CG2 3.29Å; H682-I705 WeakPolarHBondContact NE2-CG2 3.08Å; H682-S706 PolarHBondContact NE2-O 2.98Å; H682-C711 VanDerWaalsContact CD2-SG 3.52Å; H682-D752 WeakPolarHBondContact CB-OD1 3.48Å; H682-D752 PolarHBondContact N-OD1 2.69Å; H682-D752 PolarHBondContact N-OD2 2.76Å
683	R	92.6	Very high	95.5	Very high	25 Å²	25	21.7 Å²	21.7	9%	0.094	11%	0.111	C	C	.	.	S	Bend	trans	66.8	-6.9	174.1	-55	165.2	73.2	-122.2	3.3	116.4	V681 L710 K712 F721 P728 D752	V681-R683 HydrophobicContact CB-CG 4.14Å; V681-R683 HydrophobicContact CG1-CG 3.8Å; R683-L710 PolarHBondContact NH1-O 3.26Å; R683-K712 VanDerWaalsContact CD-CB 3.49Å; R683-F721 HydrophobicContact CG-CE1 4.37Å; R683-F721 HydrophobicContact CG-CZ 4.03Å; R683-P728 HydrophobicContact CB-CB 3.96Å; R683-P728 HydrophobicContact CB-CG 3.92Å; R683-P728 HydrophobicContact CG-CG 4.5Å; R683-D752 PolarHBondContact N-OD1 3.15Å
684	D	93.4	Very high	95.3	Very high	7 Å²	7	25.4 Å²	25.4	4%	0.037	13%	0.127	C	C	.	.			trans	-144.9	51.2	172	-166.2	33.4	0	0	0	112.8	H682 K686 N689 L710 G729 T730	H682-D684 PolarHBondContact CE1-O 2.8Å; H682-D684 VanDerWaalsContact ND1-C 3.3Å; H682-D684 PolarHBondContact ND1-O 3.29Å; H682-D684 PolarHBondContact O-N 2.92Å; D684-K686 PolarHBondContact O-N 3.35Å; D684-K686 IonicContact OD1-NZ 3.93Å; D684-K686 IonicContact OD2-NZ 2.84Å; D684-K686 PolarHBondContact OD2-NZ 2.79Å; D684-N689 PolarHBondContact O-ND2 2.96Å; D684-L710 HydrophobicContact CB-CB 4.29Å; D684-L710 HydrophobicContact CB-CD1 3.67Å; D684-G729 VanDerWaalsContact OD1-CA 3.29Å; D684-G729 WeakPolarHBondContact OD1-CA 3.21Å; D684-T730 WeakPolarHBondContact OD1-CB 3.33Å; D684-T730 PolarHBondContact OD1-N 3.14Å; D684-T730 PolarHBondContact OD1-OG1 3.43Å; D684-T730 PolarHBondContact OD2-OG1 3.02Å
685	L	96.4	Very high	95.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.			trans	-80.7	113.7	-179.9	-172.5	68	0	0	0	110.5	L672 H682 I690 I705 S755 A756	L672-L685 HydrophobicContact CD1-CD2 4.42Å; L672-L685 HydrophobicContact CD2-CD2 3.96Å; H682-L685 WeakPolarHBondContact ND1-CA 3.49Å; H682-L685 PolarHBondContact ND1-N 2.84Å; L685-I690 HydrophobicContact CD1-CD1 3.98Å; L685-I690 HydrophobicContact CD1-CG1 3.86Å; L685-I690 HydrophobicContact CG-CD1 4.37Å; L685-I705 HydrophobicContact CD1-CD1 4.12Å; L685-I705 HydrophobicContact CD1-CG1 4.24Å; L685-I705 HydrophobicContact CD1-CG2 4.26Å; L685-S755 WeakPolarHBondContact O-CB 3.49Å; L685-A756 HydrophobicContact CD2-CB 3.94Å
686	K	95.9	Very high	95	Very high	20 Å²	20	29.8 Å²	29.8	9%	0.087	15%	0.154	C	C	.	.			trans	-151.8	163.9	-174.7	71.4	-158.4	-175.6	-153.2	0	111.2	D684 H688 N689 I690 T730 W733	D684-K686 PolarHBondContact O-N 3.35Å; D684-K686 IonicContact OD1-NZ 3.93Å; D684-K686 IonicContact OD2-NZ 2.84Å; D684-K686 PolarHBondContact OD2-NZ 2.79Å; K686-H688 HydrophobicContact CD-CB 4.49Å; K686-H688 HydrophobicContact CG-CB 4.1Å; K686-H688 PolarHBondContact O-N 3.23Å; K686-N689 VanDerWaalsContact CE-CG 3.47Å; K686-N689 WeakPolarHBondContact CE-OD1 3.37Å; K686-N689 HydrophobicContact CG-CB 4.2Å; K686-N689 PolarHBondContact O-N 3.23Å; K686-I690 PolarHBondContact O-N 2.81Å; K686-T730 HydrophobicContact CD-CG2 4.23Å; K686-T730 WeakPolarHBondContact CD-OG1 3.41Å; K686-T730 WeakPolarHBondContact CE-OG1 3.48Å; K686-T730 PolarHBondContact NZ-OG1 3.5Å; K686-W733 HydrophobicContact CB-CD2 3.98Å; K686-W733 HydrophobicContact CB-CE3 4.48Å; K686-W733 HydrophobicContact CB-CG 3.96Å
687	P	96.9	Very high	94.7	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-17.2	-178.4	-25	35.7	0	0	0	115.7	L645 Q646 W733 V759 Y762	L645-P687 CarbonylContact C-O 3.57Å; L645-P687 HydrophobicContact CB-CB 4.29Å; L645-P687 WeakPolarHBondContact CB-O 3.34Å; L645-P687 HydrophobicContact CD2-CB 4.47Å; L645-P687 HydrophobicContact CG-CB 4.22Å; L645-P687 PolarHBondContact N-O 3.38Å; L645-P687 VanDerWaalsContact N-O 3.13Å; Q646-P687 HydrophobicContact CB-CB 4.09Å; Q646-P687 PolarHBondContact N-O 3.13Å; P687-W733 VanDerWaalsContact CD-CZ2 3.42Å; P687-W733 HydrophobicContact CG-CH2 3.41Å; P687-W733 VanDerWaalsContact CG-CH2 3.41Å; P687-W733 HydrophobicContact CG-CZ2 3.84Å; P687-W733 HydrophobicContact CG-CZ3 3.97Å; P687-V759 HydrophobicContact CG-CG2 4.27Å; P687-Y762 HydrophobicContact CB-CD1 4.14Å; P687-Y762 HydrophobicContact CB-CE1 3.71Å; P687-Y762 HydrophobicContact CG-CD1 3.62Å; P687-Y762 HydrophobicContact CG-CE1 3.68Å; P687-Y762 HydrophobicContact CG-CG 4.09Å
688	H	93.9	Very high	94.5	Very high	85 Å²	85	38.4 Å²	38.4	39%	0.394	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-31.4	173.3	-50.6	7.9	0	0	0	112	T644 Q646 K686	T644-H688 WeakPolarHBondContact CG2-O 3.34Å; Q646-H688 PolarHBondContact OE1-CE1 3.49Å; Q646-H688 PolarHBondContact OE1-ND1 3.48Å; K686-H688 HydrophobicContact CD-CB 4.49Å; K686-H688 HydrophobicContact CG-CB 4.1Å; K686-H688 PolarHBondContact O-N 3.23Å
689	N	95	Very high	94.3	Very high	13 Å²	13	37.4 Å²	37.4	7%	0.07	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-3.2	-171.4	-69.6	14.7	0	0	0	112.8	D684 K686 S706 D707	D684-N689 PolarHBondContact O-ND2 2.96Å; K686-N689 VanDerWaalsContact CE-CG 3.47Å; K686-N689 WeakPolarHBondContact CE-OD1 3.37Å; K686-N689 HydrophobicContact CG-CB 4.2Å; K686-N689 PolarHBondContact O-N 3.23Å; N689-S706 PolarHBondContact O-N 3.18Å; N689-S706 PolarHBondContact O-OG 3.41Å; N689-D707 HydrophobicContact CB-CB 4.33Å; N689-D707 WeakPolarHBondContact ND2-CB 3.38Å; N689-D707 PolarHBondContact ND2-OD2 3.2Å
690	I	98	Very high	94.1	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.7	165.4	-60.6	158.1	0	0	0	107	T644 L645 T668 L685 K686 M704 V759	T644-I690 CarbonylContact C-O 3.59Å; L645-I690 HydrophobicContact CB-CB 3.93Å; L645-I690 HydrophobicContact CB-CG2 4.06Å; L645-I690 WeakPolarHBondContact CB-O 3.34Å; L645-I690 HydrophobicContact CD2-CB 4.03Å; L645-I690 HydrophobicContact CD2-CD1 3.77Å; L645-I690 HydrophobicContact CD2-CG2 4.01Å; L645-I690 PolarHBondContact N-O 3.41Å; T668-I690 HydrophobicContact CG2-CD1 3.7Å; T668-I690 HydrophobicContact CG2-CG1 4.09Å; T668-I690 HydrophobicContact CG2-CG2 4.45Å; L685-I690 HydrophobicContact CD1-CD1 3.98Å; L685-I690 HydrophobicContact CD1-CG1 3.86Å; L685-I690 HydrophobicContact CG-CD1 4.37Å; K686-I690 PolarHBondContact O-N 2.81Å; I690-M704 CarbonylContact C-O 3.48Å; I690-M704 WeakPolarHBondContact CA-O 3.33Å; I690-V759 HydrophobicContact CD1-CG1 3.78Å; I690-V759 HydrophobicContact CD1-CG2 4.23Å
691	L	97.6	Very high	94.2	Very high	25 Å²	25	42.7 Å²	42.7	13%	0.131	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	148.7	-173.1	-54.1	-178.8	0	0	0	111.7	I622 C641 T644 A703 M704 S706	I622-L691 HydrophobicContact CD1-CD1 4.08Å; C641-L691 HydrophobicContact CB-CB 3.93Å; C641-L691 HydrophobicContact CB-CD1 4.15Å; C641-L691 VanDerWaalsContact SG-CB 3.54Å; T644-L691 HydrophobicContact CG2-CD2 3.8Å; L691-A703 CarbonylContact O-C 3.54Å; L691-A703 WeakPolarHBondContact O-CA 3.27Å; L691-M704 PolarHBondContact N-O 2.92Å; L691-M704 PolarHBondContact O-N 3.42Å; L691-S706 WeakPolarHBondContact CD1-OG 3.28Å; L691-S706 WeakPolarHBondContact CG-OG 3.33Å
692	V	97.4	Very high	94.3	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.012	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	122.4	171.6	-177.4	0	0	0	0	108.5	C641 A642 A643 Y648 L659 L664 V701	C641-V692 VanDerWaalsContact CB-O 3.3Å; C641-V692 WeakPolarHBondContact CB-O 3.47Å; A642-V692 PolarHBondContact N-O 2.93Å; A643-V692 PolarHBondContact O-N 2.49Å; Y648-V692 HydrophobicContact CD2-CG2 4.3Å; L659-V692 HydrophobicContact CD2-CG1 4.33Å; L664-V692 HydrophobicContact CD1-CG2 4.49Å; V692-V701 HydrophobicContact CG1-CB 3.81Å; V692-V701 HydrophobicContact CG1-CG1 4.37Å; V692-V701 HydrophobicContact CG1-CG2 3.72Å
693	S	96.6	Very high	94.4	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	159.6	-179.5	77.3	0	0	0	0	112.3	V701 R702	S693-V701 WeakPolarHBondContact O-CG1 3.46Å; S693-R702 PolarHBondContact N-O 2.72Å; S693-R702 PolarHBondContact OG-N 3.07Å
694	M	94.6	Very high	94.7	Very high	92 Å²	92	44.7 Å²	44.7	45%	0.453	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-56.5	150.3	159	-67.5	-64.8	-68	0	0	110.3	L640 A642 N696	L640-M694 VanDerWaalsContact O-CG 3.29Å; L640-M694 WeakPolarHBondContact O-CG 3.37Å; A642-M694 HydrophobicContact CB-SD 3.87Å; M694-N696 PolarHBondContact O-N 3.27Å
695	P	93.8	Very high	94.9	Very high	51 Å²	51	44.4 Å²	44.4	33%	0.331	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-59.4	134.5	172.7	-23.9	34.2	0	0	0	111.4	V701	P695-V701 HydrophobicContact CB-CG1 4.16Å; P695-V701 HydrophobicContact CG-CG1 3.83Å
696	N	91.6	Very high	94.8	Very high	83 Å²	83	44.8 Å²	44.8	44%	0.444	24%	0.237	S	C	.	.			trans	-77.7	-178.9	174.8	72.2	9.9	0	0	0	111.9	M694 H698 G699 R700	M694-N696 PolarHBondContact O-N 3.27Å; N696-H698 PolarHBondContact O-N 3.42Å; N696-H698 WeakPolarHBondContact OD1-CA 3.32Å; N696-H698 PolarHBondContact OD1-N 3.27Å; N696-G699 PolarHBondContact O-N 2.86Å; N696-G699 PolarHBondContact OD1-N 3.12Å; N696-R700 PolarHBondContact N-O 3.31Å; N696-R700 PolarHBondContact OD1-N 2.95Å; N696-R700 PolarHBondContact OD1-O 3.01Å
697	A	90.2	Very high	94.4	Very high	103 Å²	103	46 Å²	46	85%	0.851	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-5.4	178.3	0	0	0	0	0	115.1
698	H	89.9	Confident	93.9	Very high	155 Å²	155	46 Å²	46	72%	0.718	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.5	14.9	174	-50.4	-35.3	0	0	0	112.2	N696 R700	N696-H698 PolarHBondContact O-N 3.42Å; N696-H698 WeakPolarHBondContact OD1-CA 3.32Å; N696-H698 PolarHBondContact OD1-N 3.27Å; H698-R700 PolarHBondContact O-N 3.33Å
699	G	89.2	Confident	93.2	Very high	37 Å²	37	42.5 Å²	42.5	38%	0.381	23%	0.232	S	C	.	.	S	Bend	trans	72.6	6.2	178.9	0	0	0	0	0	115.5	H657 N696	H657-G699 PolarHBondContact ND1-O 3.44Å; N696-G699 PolarHBondContact O-N 2.86Å; N696-G699 PolarHBondContact OD1-N 3.12Å
700	R	90.6	Very high	92.7	Very high	176 Å²	176	44.7 Å²	44.7	66%	0.664	24%	0.243	S	C	*	.			trans	-94	144.9	-176.5	-59.4	-177.1	-176.7	179.7	-0.1	111.5	N696 H698	N696-R700 PolarHBondContact N-O 3.31Å; N696-R700 PolarHBondContact OD1-N 2.95Å; N696-R700 PolarHBondContact OD1-O 3.01Å; H698-R700 PolarHBondContact O-N 3.33Å
701	V	95.4	Very high	92.3	Very high	16 Å²	16	44.6 Å²	44.6	10%	0.097	24%	0.243	C	C	.	.			trans	-113	163.2	174.7	-60.3	0	0	0	0	111.5	H657 L659 V692 S693 P695	H657-V701 HydrophobicContact CB-CB 4.35Å; H657-V701 HydrophobicContact CB-CG1 3.74Å; H657-V701 HydrophobicContact CB-CG2 3.8Å; L659-V701 HydrophobicContact CB-CG2 3.59Å; L659-V701 HydrophobicContact CD2-CG2 3.91Å; L659-V701 HydrophobicContact CG-CG2 4.38Å; V692-V701 HydrophobicContact CG1-CB 3.81Å; V692-V701 HydrophobicContact CG1-CG1 4.37Å; V692-V701 HydrophobicContact CG1-CG2 3.72Å; S693-V701 WeakPolarHBondContact O-CG1 3.46Å; P695-V701 HydrophobicContact CB-CG1 4.16Å; P695-V701 HydrophobicContact CG-CG1 3.83Å
702	R	96.1	Very high	91.8	Very high	68 Å²	68	46.8 Å²	46.8	26%	0.257	25%	0.251	S	S	.	.			trans	-137.8	151.8	176.2	74.4	-165.5	-164.5	-81.2	3.3	112.1	P619 E639 Q667 S693 M704	P619-R702 WeakPolarHBondContact O-CD 3.3Å; P619-R702 PolarHBondContact O-NE 2.9Å; E639-R702 VanDerWaalsContact CD-NH2 3.3Å; E639-R702 IonicContact OE1-CZ 2.78Å; E639-R702 VanDerWaalsContact OE1-CZ 3.3Å; E639-R702 IonicContact OE1-NH1 3.84Å; E639-R702 PolarHBondContact OE1-NH1 3.37Å; E639-R702 IonicContact OE1-NH2 2.68Å; E639-R702 PolarHBondContact OE1-NH2 2.95Å; E639-R702 IonicContact OE2-CZ 3.69Å; E639-R702 IonicContact OE2-NH1 2.72Å; E639-R702 IonicContact OE2-NH2 3.6Å; E639-R702 PolarHBondContact OE2-NH2 2.9Å; Q667-R702 VanDerWaalsContact OE1-CA 3.28Å; S693-R702 PolarHBondContact N-O 2.72Å; S693-R702 PolarHBondContact OG-N 3.07Å; R702-M704 HydrophobicContact CG-CG 4.2Å; R702-M704 HydrophobicContact CG-SD 4.45Å; R702-M704 PolarHBondContact NH2-SD 3.02Å
703	A	97.8	Very high	91.4	Very high	1 Å²	1	51 Å²	51	1%	0.008	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	142.9	172.4	0	0	0	0	0	111.4	N620 L664 Q667 L691	N620-A703 WeakPolarHBondContact CA-O 3.46Å; N620-A703 WeakPolarHBondContact CB-O 3.48Å; N620-A703 PolarHBondContact ND2-O 3.37Å; L664-A703 HydrophobicContact CG-CB 3.98Å; Q667-A703 HydrophobicContact CB-CB 3.94Å; L691-A703 CarbonylContact O-C 3.54Å; L691-A703 WeakPolarHBondContact O-CA 3.27Å
704	M	97.8	Very high	91	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	141.4	179.7	-64	175.1	-66.3	0	0	111.8	N620 I622 C641 I690 L691 R702	N620-M704 WeakPolarHBondContact O-CA 3.29Å; I622-M704 HydrophobicContact CD1-CE 3.75Å; I622-M704 HydrophobicContact CD1-SD 4.12Å; C641-M704 WeakPolarHBondContact SG-CE 3.09Å; I690-M704 CarbonylContact C-O 3.48Å; I690-M704 WeakPolarHBondContact CA-O 3.33Å; L691-M704 PolarHBondContact N-O 2.92Å; L691-M704 PolarHBondContact O-N 3.42Å; R702-M704 HydrophobicContact CG-CG 4.2Å; R702-M704 HydrophobicContact CG-SD 4.45Å; R702-M704 PolarHBondContact NH2-SD 3.02Å
705	I	98.1	Very high	90.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	138.4	171	-61.1	-178.9	0	0	0	110	N620 I622 T668 L672 L675 H682 L685	N620-I705 PolarHBondContact O-N 2.84Å; I622-I705 WeakPolarHBondContact CB-O 3.49Å; I622-I705 PolarHBondContact N-O 2.69Å; T668-I705 HydrophobicContact CG2-CD1 4.47Å; T668-I705 HydrophobicContact CG2-CG1 4.39Å; L672-I705 HydrophobicContact CB-CD1 3.86Å; L672-I705 HydrophobicContact CD1-CD1 4.28Å; L675-I705 HydrophobicContact CD1-CD1 4.49Å; L675-I705 HydrophobicContact CD1-CG2 4.18Å; H682-I705 VanDerWaalsContact CD2-CG2 3.44Å; H682-I705 WeakPolarHBondContact CD2-CG2 3.5Å; H682-I705 VanDerWaalsContact NE2-CG2 3.29Å; H682-I705 WeakPolarHBondContact NE2-CG2 3.08Å; L685-I705 HydrophobicContact CD1-CD1 4.12Å; L685-I705 HydrophobicContact CD1-CG1 4.24Å; L685-I705 HydrophobicContact CD1-CG2 4.26Å
706	S	94.5	Very high	89.9	Confident	8 Å²	8	54.5 Å²	54.5	6%	0.056	30%	0.3	C	S	.	.			trans	-143.1	175.9	-176.4	72.9	0	0	0	0	113	H682 N689 L691	H682-S706 PolarHBondContact NE2-O 2.98Å; N689-S706 PolarHBondContact O-N 3.18Å; N689-S706 PolarHBondContact O-OG 3.41Å; L691-S706 WeakPolarHBondContact CD1-OG 3.28Å; L691-S706 WeakPolarHBondContact CG-OG 3.33Å
707	D	86.9	Confident	89.1	Confident	47 Å²	47	53.8 Å²	53.8	25%	0.251	31%	0.312	S	S	.	.			trans	66.7	78.9	179.3	-170.9	33.7	0	0	0	114.4	K595 N689 G709	K595-D707 IonicContact NZ-OD1 3.14Å; K595-D707 PolarHBondContact NZ-OD1 3.39Å; N689-D707 HydrophobicContact CB-CB 4.33Å; N689-D707 WeakPolarHBondContact ND2-CB 3.38Å; N689-D707 PolarHBondContact ND2-OD2 3.2Å; D707-G709 PolarHBondContact O-N 2.97Å
708	F	86.6	Confident	88.7	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-91	3.9	-169.8	-81.1	-122.5	0	0	0	113.6	E608 L611 L612 S615 V621 I622 L675 L710 C711	E608-F708 HydrophobicContact CB-CB 4.26Å; E608-F708 HydrophobicContact CG-CB 3.96Å; E608-F708 PolarHBondContact OE1-N 2.79Å; L611-F708 HydrophobicContact CB-CD1 3.85Å; L612-F708 HydrophobicContact CD2-CB 4.48Å; L612-F708 HydrophobicContact CD2-CD1 4.33Å; L612-F708 HydrophobicContact CD2-CD2 3.57Å; L612-F708 HydrophobicContact CD2-CE1 4.47Å; L612-F708 HydrophobicContact CD2-CE2 3.75Å; L612-F708 HydrophobicContact CD2-CG 3.89Å; L612-F708 HydrophobicContact CD2-CZ 4.2Å; L612-F708 HydrophobicContact CG-CB 4.28Å; L612-F708 HydrophobicContact CG-CD2 4.28Å; L612-F708 HydrophobicContact CG-CG 4.13Å; S615-F708 WeakPolarHBondContact OG-CE1 3.4Å; V621-F708 HydrophobicContact CG1-CE2 4.1Å; V621-F708 HydrophobicContact CG1-CZ 3.64Å; I622-F708 HydrophobicContact CG2-CE2 4.41Å; L675-F708 HydrophobicContact CD1-CE1 4.25Å; L675-F708 HydrophobicContact CD1-CZ 3.95Å; L675-F708 HydrophobicContact CD2-CE1 3.69Å; L675-F708 HydrophobicContact CD2-CZ 3.8Å; F708-L710 PolarHBondContact O-N 3.01Å; F708-C711 HydrophobicContact CB-CB 4.33Å; F708-C711 HydrophobicContact CD1-CB 4.22Å; F708-C711 VanDerWaalsContact O-CB 3.29Å; F708-C711 WeakPolarHBondContact O-CB 3.5Å; F708-C711 PolarHBondContact O-N 3.18Å
709	G	80.4	Confident	88.1	Confident	12 Å²	12	54.7 Å²	54.7	12%	0.124	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-57.8	-31.9	-177.6	0	0	0	0	0	114.4	D707	D707-G709 PolarHBondContact O-N 2.97Å
710	L	83.4	Confident	87.8	Confident	58 Å²	58	55.2 Å²	55.2	30%	0.304	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-95.6	-5.8	177.4	-65.8	175.7	0	0	0	114.2	R683 D684 F708	R683-L710 PolarHBondContact NH1-O 3.26Å; D684-L710 HydrophobicContact CB-CB 4.29Å; D684-L710 HydrophobicContact CB-CD1 3.67Å; F708-L710 PolarHBondContact O-N 3.01Å
711	C	89.3	Confident	87.3	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.26	C	S	.	.			trans	-62.5	152.4	-179	-76.3	0	0	0	0	112.6	L611 I680 V681 H682 F708	L611-C711 HydrophobicContact CD1-CB 3.55Å; I680-C711 HydrophobicContact CG2-CB 4.05Å; V681-C711 CarbonylContact O-C 3.58Å; V681-C711 WeakPolarHBondContact O-CA 3.44Å; H682-C711 VanDerWaalsContact CD2-SG 3.52Å; F708-C711 HydrophobicContact CB-CB 4.33Å; F708-C711 HydrophobicContact CD1-CB 4.22Å; F708-C711 VanDerWaalsContact O-CB 3.29Å; F708-C711 WeakPolarHBondContact O-CB 3.5Å; F708-C711 PolarHBondContact O-N 3.18Å
712	K	87.6	Confident	86.3	Confident	71 Å²	71	48.5 Å²	48.5	31%	0.309	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	110.8	178.2	-169	69.8	-179.2	-178.3	0	112	V681 R683 L714 F721	V681-K712 PolarHBondContact N-O 2.85Å; V681-K712 PolarHBondContact O-N 3.25Å; R683-K712 VanDerWaalsContact CD-CB 3.49Å; K712-L714 HydrophobicContact CG-CD2 4.18Å; K712-F721 HydrophobicContact CG-CB 4.4Å
713	K	89.4	Confident	85	Confident	91 Å²	91	48.7 Å²	48.7	40%	0.396	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	128.9	162.7	-172.7	163.7	-175.4	167.4	0	110.3	L611 E614 K679 I680	L611-K713 HydrophobicContact CD2-CB 3.72Å; L611-K713 HydrophobicContact CD2-CD 4.15Å; E614-K713 IonicContact OE1-NZ 2.83Å; E614-K713 PolarHBondContact OE1-NZ 2.82Å; E614-K713 VanDerWaalsContact OE2-CD 3.28Å; E614-K713 WeakPolarHBondContact OE2-CD 3.33Å; E614-K713 WeakPolarHBondContact OE2-CE 3.16Å; E614-K713 IonicContact OE2-NZ 2.62Å; E614-K713 PolarHBondContact OE2-NZ 2.85Å; K679-K713 CarbonylContact O-C 3.59Å; K679-K713 WeakPolarHBondContact O-CA 3.37Å; I680-K713 HydrophobicContact CG1-CB 4.45Å
714	L	87.1	Confident	83	Confident	11 Å²	11	59.8 Å²	59.8	6%	0.058	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-88.1	144.6	173	-52	-165.8	0	0	0	109.4	K679 V681 K712 F721 Y749	K679-L714 HydrophobicContact CB-CB 4.48Å; K679-L714 PolarHBondContact O-N 3.07Å; V681-L714 HydrophobicContact CG2-CD1 4.14Å; V681-L714 HydrophobicContact CG2-CD2 4.18Å; V681-L714 HydrophobicContact CG2-CG 4.09Å; K712-L714 HydrophobicContact CG-CD2 4.18Å; L714-F721 HydrophobicContact CD2-CB 3.84Å; L714-F721 HydrophobicContact CD2-CD1 4.29Å; L714-Y749 HydrophobicContact CD1-CE1 4.29Å; L714-Y749 HydrophobicContact CD1-CE2 4.16Å; L714-Y749 WeakPolarHBondContact CD1-OH 3.46Å
715	A	84.6	Confident	80.9	Confident	55 Å²	55	63.1 Å²	63.1	46%	0.455	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-67.4	152.7	176	0	0	0	0	0	110.9	G717 R718	A715-G717 PolarHBondContact O-N 2.9Å; A715-R718 HydrophobicContact CB-CG 4.27Å; A715-R718 WeakPolarHBondContact O-CB 3.39Å; A715-R718 PolarHBondContact O-N 3.17Å
716	V	80.9	Confident	78.9	Confident	152 Å²	152	65.2 Å²	65.2	92%	0.921	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	132	176.3	-176.6	0	0	0	0	110	R718	V716-R718 VanDerWaalsContact C-N 3.3Å; V716-R718 PolarHBondContact O-N 2.86Å
717	G	74.6	Confident	77.2	Confident	68 Å²	68	69.1 Å²	69.1	70%	0.701	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	1.7	-175.1	0	0	0	0	0	115.8	A715	A715-G717 PolarHBondContact O-N 2.9Å
718	R	81.5	Confident	76.3	Confident	172 Å²	172	67.3 Å²	67.3	65%	0.649	37%	0.37	S	S	*	.			trans	-104.1	140.6	172	-62.1	-168	-178.6	175.3	0.2	111.9	A715 V716	A715-R718 HydrophobicContact CB-CG 4.27Å; A715-R718 WeakPolarHBondContact O-CB 3.39Å; A715-R718 PolarHBondContact O-N 3.17Å; V716-R718 VanDerWaalsContact C-N 3.3Å; V716-R718 PolarHBondContact O-N 2.86Å
719	H	78.9	Confident	75.7	Confident	105 Å²	105	68.6 Å²	68.6	49%	0.486	38%	0.383	S	S	.	.			trans	-116.3	-2.2	-177.7	-63.3	-94.6	0	0	0	113.3	T748	H719-T748 WeakPolarHBondContact O-CB 3.3Å; H719-T748 WeakPolarHBondContact O-CG2 3.39Å
720	S	82.8	Confident	75.7	Confident	48 Å²	48	70.1 Å²	70.1	34%	0.336	39%	0.39	S	S	.	.			trans	-142.6	163.2	-177.4	57.7	0	0	0	0	113.2	N746 P747	S720-N746 VanDerWaalsContact CB-O 3.23Å; S720-N746 WeakPolarHBondContact CB-O 3.27Å; S720-P747 CarbonylContact C-O 3.6Å; S720-P747 WeakPolarHBondContact CA-O 3.36Å; S720-P747 WeakPolarHBondContact CB-O 3.34Å
721	F	78.6	Confident	75.7	Confident	12 Å²	12	75 Å²	75	5%	0.053	41%	0.411	C	S	.	.			trans	-126.8	149.6	176.1	64	-88.8	0	0	0	112.3	V681 R683 K712 L714 N746 P747 V751	V681-F721 HydrophobicContact CB-CE1 4.45Å; V681-F721 HydrophobicContact CG1-CE1 4.02Å; V681-F721 HydrophobicContact CG2-CD1 4.37Å; V681-F721 HydrophobicContact CG2-CE1 4.44Å; R683-F721 HydrophobicContact CG-CE1 4.37Å; R683-F721 HydrophobicContact CG-CZ 4.03Å; K712-F721 HydrophobicContact CG-CB 4.4Å; L714-F721 HydrophobicContact CD2-CB 3.84Å; L714-F721 HydrophobicContact CD2-CD1 4.29Å; F721-N746 WeakPolarHBondContact O-CB 3.48Å; F721-P747 HydrophobicContact CD1-CB 4.5Å; F721-P747 VanDerWaalsContact CD1-O 3.27Å; F721-P747 WeakPolarHBondContact CD1-O 3.35Å; F721-P747 HydrophobicContact CE1-CB 3.86Å; F721-P747 HydrophobicContact CE2-CB 4.02Å; F721-P747 HydrophobicContact CZ-CB 3.6Å; F721-P747 PolarHBondContact N-O 3.37Å; F721-V751 HydrophobicContact CE1-CG2 4.39Å; F721-V751 HydrophobicContact CZ-CG1 4.36Å; F721-V751 HydrophobicContact CZ-CG2 4.36Å
722	S	74.7	Confident	75.5	Confident	40 Å²	40	75 Å²	75	28%	0.28	41%	0.411	S	S	.	.			trans	-80.7	130.6	-174.8	-167.9	0	0	0	0	113.2	R724 S725 N746	S722-R724 PolarHBondContact O-N 3.48Å; S722-R724 VanDerWaalsContact O-N 3.12Å; S722-R724 PolarHBondContact OG-N 2.95Å; S722-S725 WeakPolarHBondContact O-CB 3.43Å; S722-S725 PolarHBondContact O-N 2.84Å; S722-S725 VanDerWaalsContact O-N 3.08Å; S722-S725 PolarHBondContact O-OG 2.85Å; S722-N746 WeakPolarHBondContact CA-OD1 3.37Å
723	R	69.4	Low	75.8	Confident	71 Å²	71	72.3 Å²	72.3	27%	0.268	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-53.2	-24.8	170	-72.5	178.1	-73	179.8	-2.3	113.6	S725 G726 S740 E741 F743 P747	R723-S725 PolarHBondContact O-N 2.85Å; R723-G726 PolarHBondContact O-N 2.89Å; R723-S740 PolarHBondContact NH1-O 2.77Å; R723-E741 PolarHBondContact NH1-O 2.86Å; R723-F743 PolarHBondContact NH1-O 3.36Å; R723-F743 PolarHBondContact NH2-O 3.27Å; R723-P747 HydrophobicContact CG-CG 3.92Å
724	R	56.2	Low	75.9	Confident	235 Å²	235	68.6 Å²	68.6	89%	0.887	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-65	1	173.9	-66.7	-169.8	-69.8	-120.1	3.1	114.9	S722 G726	S722-R724 PolarHBondContact O-N 3.48Å; S722-R724 VanDerWaalsContact O-N 3.12Å; S722-R724 PolarHBondContact OG-N 2.95Å; R724-G726 VanDerWaalsContact C-N 3.25Å; R724-G726 PolarHBondContact O-N 2.86Å
725	S	53.2	Low	76.3	Confident	70 Å²	70	68.1 Å²	68.1	49%	0.49	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-86.3	11.4	173.8	-42.5	0	0	0	0	113.4	S722 R723	S722-S725 WeakPolarHBondContact O-CB 3.43Å; S722-S725 PolarHBondContact O-N 2.84Å; S722-S725 VanDerWaalsContact O-N 3.08Å; S722-S725 PolarHBondContact O-OG 2.85Å; R723-S725 PolarHBondContact O-N 2.85Å
726	G	55.8	Low	76.6	Confident	43 Å²	43	65.5 Å²	65.5	44%	0.443	36%	0.36	S	S	.	.			trans	82.8	158.4	-167.1	0	0	0	0	0	112.5	R723 R724 P728	R723-G726 PolarHBondContact O-N 2.89Å; R724-G726 VanDerWaalsContact C-N 3.25Å; R724-G726 PolarHBondContact O-N 2.86Å; G726-P728 VanDerWaalsContact O-CD 3.31Å; G726-P728 WeakPolarHBondContact O-CD 3.24Å
727	V	59.6	Low	77.1	Confident	91 Å²	91	58.5 Å²	58.5	55%	0.552	32%	0.317	S	S	*	.			trans	-76.2	114.9	169.4	174.8	0	0	0	0	107.9	I734 V738 L739	V727-I734 HydrophobicContact CG1-CD1 4.17Å; V727-V738 HydrophobicContact CG1-CG1 4.41Å; V727-L739 HydrophobicContact CG1-CD2 3.55Å; V727-L739 HydrophobicContact CG2-CD2 4.33Å
728	P	66.6	Low	77.7	Confident	8 Å²	8	55.8 Å²	55.8	5%	0.052	29%	0.287	C	S	.	.			trans	-84.2	163.1	172.1	38.6	-38.4	0	0	0	111.6	R683 G726 I734 V738	R683-P728 HydrophobicContact CB-CB 3.96Å; R683-P728 HydrophobicContact CB-CG 3.92Å; R683-P728 HydrophobicContact CG-CG 4.5Å; G726-P728 VanDerWaalsContact O-CD 3.31Å; G726-P728 WeakPolarHBondContact O-CD 3.24Å; P728-I734 WeakPolarHBondContact O-CD1 3.3Å; P728-V738 HydrophobicContact CG-CG1 4.13Å
729	G	73.9	Confident	77.7	Confident	27 Å²	27	50 Å²	50	28%	0.278	27%	0.269	S	S	.	.	S	Bend	trans	95.1	177.6	159.5	0	0	0	0	0	114.8	D684	D684-G729 VanDerWaalsContact OD1-CA 3.29Å; D684-G729 WeakPolarHBondContact OD1-CA 3.21Å
730	T	82.2	Confident	77.6	Confident	44 Å²	44	46 Å²	46	27%	0.27	25%	0.252	S	S	.	.			trans	-99	129.1	-173	-50.8	0	0	0	0	111.1	D684 K686 G732 W733 I734	D684-T730 WeakPolarHBondContact OD1-CB 3.33Å; D684-T730 PolarHBondContact OD1-N 3.14Å; D684-T730 PolarHBondContact OD1-OG1 3.43Å; D684-T730 PolarHBondContact OD2-OG1 3.02Å; K686-T730 HydrophobicContact CD-CG2 4.23Å; K686-T730 WeakPolarHBondContact CD-OG1 3.41Å; K686-T730 WeakPolarHBondContact CE-OG1 3.48Å; K686-T730 PolarHBondContact NZ-OG1 3.5Å; T730-G732 PolarHBondContact O-N 2.95Å; T730-W733 WeakPolarHBondContact O-CB 3.49Å; T730-W733 PolarHBondContact O-N 2.96Å; T730-I734 WeakPolarHBondContact O-CG1 3.32Å
731	E	82.3	Confident	77	Confident	160 Å²	160	52.2 Å²	52.2	75%	0.748	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	139.9	-179.6	-65	-172	165.3	0	0	113.1	W733	E731-W733 VanDerWaalsContact C-N 3.26Å; E731-W733 PolarHBondContact O-N 3.1Å
732	G	85.7	Confident	76.6	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.01	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	-11	-173.7	0	0	0	0	0	114.8	T730 H769 R777 I781	T730-G732 PolarHBondContact O-N 2.95Å; G732-H769 PolarHBondContact O-CE1 3.15Å; G732-H769 PolarHBondContact O-NE2 3.26Å; G732-H769 VanDerWaalsContact O-NE2 3.16Å; G732-R777 VanDerWaalsContact CA-CB 3.48Å; G732-I781 VanDerWaalsContact O-CD1 3.27Å; G732-I781 WeakPolarHBondContact O-CD1 3.46Å
733	W	93.8	Very high	76.4	Confident	14 Å²	14	59 Å²	59	5%	0.053	31%	0.307	C	S	.	.	S	Bend	trans	-114	-8.4	175.1	-52.5	90.7	0	0	0	113.3	K686 P687 T730 E731 S755 C758 V759 Y762 H769	K686-W733 HydrophobicContact CB-CD2 3.98Å; K686-W733 HydrophobicContact CB-CE3 4.48Å; K686-W733 HydrophobicContact CB-CG 3.96Å; P687-W733 VanDerWaalsContact CD-CZ2 3.42Å; P687-W733 HydrophobicContact CG-CH2 3.41Å; P687-W733 VanDerWaalsContact CG-CH2 3.41Å; P687-W733 HydrophobicContact CG-CZ2 3.84Å; P687-W733 HydrophobicContact CG-CZ3 3.97Å; T730-W733 WeakPolarHBondContact O-CB 3.49Å; T730-W733 PolarHBondContact O-N 2.96Å; E731-W733 VanDerWaalsContact C-N 3.26Å; E731-W733 PolarHBondContact O-N 3.1Å; W733-S755 WeakPolarHBondContact O-CB 3.4Å; W733-S755 PolarHBondContact O-OG 2.73Å; W733-C758 HydrophobicContact CE3-CB 3.71Å; W733-C758 HydrophobicContact CZ3-CB 3.73Å; W733-V759 HydrophobicContact CE3-CG2 4.19Å; W733-V759 HydrophobicContact CZ3-CG2 3.85Å; W733-Y762 HydrophobicContact CH2-CD2 4.27Å; W733-Y762 HydrophobicContact CH2-CG 4.29Å; W733-H769 AromaticContact CE3-NE2 3.88Å; W733-H769 AromaticContact CH2-CD2 3.64Å; W733-H769 AromaticContact CZ3-CD2 3.72Å; W733-H769 AromaticContact CZ3-NE2 3.86Å
734	I	92.4	Very high	76.4	Confident	13 Å²	13	64.8 Å²	64.8	7%	0.067	33%	0.334	C	S	.	.	S	Bend	trans	-78.6	129.9	-177	-56.2	164.9	0	0	0	110.5	V727 P728 T730 V738 L739 Q778	V727-I734 HydrophobicContact CG1-CD1 4.17Å; P728-I734 WeakPolarHBondContact O-CD1 3.3Å; T730-I734 WeakPolarHBondContact O-CG1 3.32Å; I734-V738 HydrophobicContact CG2-CB 3.74Å; I734-V738 HydrophobicContact CG2-CG1 3.87Å; I734-V738 HydrophobicContact CG2-CG2 4.33Å; I734-L739 HydrophobicContact CB-CD1 4.08Å; I734-L739 HydrophobicContact CG2-CD1 3.83Å; I734-L739 HydrophobicContact CG2-CD2 4.14Å; I734-L739 HydrophobicContact CG2-CG 3.76Å; I734-Q778 PolarHBondContact O-NE2 2.86Å
735	A	93.5	Very high	77.5	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.008	32%	0.322	C	S	.	.			trans	-66.5	144.4	177.6	0	0	0	0	0	113	E737 V738 V751 F754	A735-E737 VanDerWaalsContact C-N 3.31Å; A735-E737 WeakPolarHBondContact CB-OE2 3.32Å; A735-E737 PolarHBondContact O-N 2.99Å; A735-V738 HydrophobicContact CB-CG2 4.32Å; A735-V738 WeakPolarHBondContact O-CB 3.37Å; A735-V738 PolarHBondContact O-N 2.87Å; A735-V751 HydrophobicContact CB-CB 4.02Å; A735-V751 HydrophobicContact CB-CG1 4.21Å; A735-F754 HydrophobicContact CB-CB 3.83Å; A735-F754 HydrophobicContact CB-CD1 3.79Å; A735-F754 HydrophobicContact CB-CG 3.88Å
736	P	92	Very high	79	Confident	1 Å²	1	59 Å²	59	1%	0.006	32%	0.316	C	S	.	.	H	α-helix	trans	-61.1	-34.1	-169.2	24.5	-35.4	0	0	0	114	V738 L739 S740 F743 F754 I781 M811	P736-V738 PolarHBondContact O-N 3.34Å; P736-L739 PolarHBondContact O-N 2.82Å; P736-L739 VanDerWaalsContact O-N 3.09Å; P736-S740 PolarHBondContact O-N 2.87Å; P736-F743 HydrophobicContact CB-CE2 4.31Å; P736-F743 HydrophobicContact CB-CZ 4.35Å; P736-F743 HydrophobicContact CG-CZ 4.48Å; P736-F754 HydrophobicContact CG-CE2 4.44Å; P736-I781 HydrophobicContact CB-CG2 4.04Å; P736-I781 HydrophobicContact CG-CG2 4.42Å; P736-M811 HydrophobicContact CB-CE 3.77Å; P736-M811 HydrophobicContact CB-SD 4.37Å; P736-M811 HydrophobicContact CG-CE 3.86Å; P736-M811 HydrophobicContact CG-SD 3.88Å
737	E	90.5	Very high	80.5	Confident	4 Å²	4	57.1 Å²	57.1	2%	0.019	30%	0.295	C	S	.	.	H	α-helix	trans	-71	-9.9	179.9	74.2	-83.9	-163.7	0	0	114.6	A735 F743 P747 V751 P813 R816	A735-E737 VanDerWaalsContact C-N 3.31Å; A735-E737 WeakPolarHBondContact CB-OE2 3.32Å; A735-E737 PolarHBondContact O-N 2.99Å; E737-F743 HydrophobicContact CB-CB 4.11Å; E737-F743 HydrophobicContact CB-CD1 3.57Å; E737-F743 HydrophobicContact CB-CD2 3.93Å; E737-F743 HydrophobicContact CB-CE1 3.89Å; E737-F743 HydrophobicContact CB-CE2 4.22Å; E737-F743 HydrophobicContact CB-CG 3.59Å; E737-F743 HydrophobicContact CB-CZ 4.2Å; E737-P747 HydrophobicContact CG-CB 4.3Å; E737-P747 HydrophobicContact CG-CG 4.18Å; E737-P747 WeakPolarHBondContact O-CG 3.16Å; E737-V751 HydrophobicContact CG-CG1 4.46Å; E737-V751 WeakPolarHBondContact OE1-CG1 3.32Å; E737-P813 HydrophobicContact CB-CG 3.92Å; E737-P813 VanDerWaalsContact CD-CG 3.49Å; E737-P813 HydrophobicContact CG-CB 4.48Å; E737-P813 HydrophobicContact CG-CG 3.74Å; E737-R816 VanDerWaalsContact CD-NH1 3.31Å; E737-R816 IonicContact OE1-CZ 2.69Å; E737-R816 IonicContact OE1-NH1 3.05Å; E737-R816 PolarHBondContact OE1-NH1 2.92Å; E737-R816 IonicContact OE1-NH2 2.73Å; E737-R816 IonicContact OE2-CZ 3.3Å; E737-R816 IonicContact OE2-NH1 2.72Å; E737-R816 PolarHBondContact OE2-NH1 2.76Å; E737-R816 VanDerWaalsContact OE2-NH1 3.17Å; E737-R816 IonicContact OE2-NH2 3.59Å; E737-R816 PolarHBondContact OE2-NH2 2.77Å
738	V	88.4	Confident	82	Confident	11 Å²	11	54 Å²	54	7%	0.067	28%	0.276	C	S	.	.	H	α-helix	trans	-82.4	-24.2	173.1	-176	0	0	0	0	111.1	V727 P728 I734 A735 P736 P747 V751	V727-V738 HydrophobicContact CG1-CG1 4.41Å; P728-V738 HydrophobicContact CG-CG1 4.13Å; I734-V738 HydrophobicContact CG2-CB 3.74Å; I734-V738 HydrophobicContact CG2-CG1 3.87Å; I734-V738 HydrophobicContact CG2-CG2 4.33Å; A735-V738 HydrophobicContact CB-CG2 4.32Å; A735-V738 WeakPolarHBondContact O-CB 3.37Å; A735-V738 PolarHBondContact O-N 2.87Å; P736-V738 PolarHBondContact O-N 3.34Å; V738-P747 HydrophobicContact CG2-CB 4.34Å; V738-P747 HydrophobicContact CG2-CG 4.29Å; V738-V751 HydrophobicContact CG2-CB 4.22Å; V738-V751 HydrophobicContact CG2-CG1 3.47Å; V738-V751 VanDerWaalsContact CG2-CG1 3.47Å
739	L	81.2	Confident	83.4	Confident	52 Å²	52	55.3 Å²	55.3	27%	0.272	28%	0.281	S	S	.	.	H	α-helix	trans	-109	-43.4	-168.6	-66.4	168.5	0	0	0	113.6	V727 I734 P736 Q778 L782	V727-L739 HydrophobicContact CG1-CD2 3.55Å; V727-L739 HydrophobicContact CG2-CD2 4.33Å; I734-L739 HydrophobicContact CB-CD1 4.08Å; I734-L739 HydrophobicContact CG2-CD1 3.83Å; I734-L739 HydrophobicContact CG2-CD2 4.14Å; I734-L739 HydrophobicContact CG2-CG 3.76Å; P736-L739 PolarHBondContact O-N 2.82Å; P736-L739 VanDerWaalsContact O-N 3.09Å; L739-Q778 VanDerWaalsContact CD1-CD 3.41Å; L739-Q778 HydrophobicContact CD1-CG 3.91Å; L739-L782 HydrophobicContact CB-CD2 3.89Å; L739-L782 HydrophobicContact CD1-CD2 4.4Å
740	S	77.1	Confident	84.4	Confident	19 Å²	19	54.5 Å²	54.5	13%	0.133	27%	0.271	C	S	.	.			trans	-77	137.7	177.5	149.4	0	0	0	0	110.8	R723 P736 D742 F743	R723-S740 PolarHBondContact NH1-O 2.77Å; P736-S740 PolarHBondContact O-N 2.87Å; S740-D742 VanDerWaalsContact C-N 3.34Å; S740-D742 WeakPolarHBondContact OG-CB 3.49Å; S740-D742 PolarHBondContact OG-N 3.26Å; S740-D742 VanDerWaalsContact OG-N 3.11Å; S740-D742 PolarHBondContact OG-OD2 2.91Å; S740-F743 WeakPolarHBondContact OG-CD2 3.45Å
741	E	69.4	Low	85	Confident	179 Å²	179	52.6 Å²	52.6	84%	0.836	26%	0.259	S	S	*	.	S	Bend	trans	-74.3	-26.5	172.7	-64.6	-150.9	137.4	0	0	112.1	R723 F743	R723-E741 PolarHBondContact NH1-O 2.86Å; E741-F743 PolarHBondContact O-N 3.18Å; E741-F743 VanDerWaalsContact O-O 3.12Å
742	D	69.9	Low	85.8	Confident	139 Å²	139	45 Å²	45	74%	0.743	22%	0.224	S	C	*	.			trans	-59.6	-29.3	-173.9	-46.2	-81.8	0	0	0	114.1	S740 K744	S740-D742 VanDerWaalsContact C-N 3.34Å; S740-D742 WeakPolarHBondContact OG-CB 3.49Å; S740-D742 PolarHBondContact OG-N 3.26Å; S740-D742 VanDerWaalsContact OG-N 3.11Å; S740-D742 PolarHBondContact OG-OD2 2.91Å; D742-K744 PolarHBondContact O-N 3.29Å
743	F	71.3	Confident	86.4	Confident	55 Å²	55	45 Å²	45	24%	0.241	22%	0.224	C	C	.	.			trans	-62.4	117.6	171	-71.1	-91.7	0	0	0	109.4	R723 P736 E737 S740 E741 P813	R723-F743 PolarHBondContact NH1-O 3.36Å; R723-F743 PolarHBondContact NH2-O 3.27Å; P736-F743 HydrophobicContact CB-CE2 4.31Å; P736-F743 HydrophobicContact CB-CZ 4.35Å; P736-F743 HydrophobicContact CG-CZ 4.48Å; E737-F743 HydrophobicContact CB-CB 4.11Å; E737-F743 HydrophobicContact CB-CD1 3.57Å; E737-F743 HydrophobicContact CB-CD2 3.93Å; E737-F743 HydrophobicContact CB-CE1 3.89Å; E737-F743 HydrophobicContact CB-CE2 4.22Å; E737-F743 HydrophobicContact CB-CG 3.59Å; E737-F743 HydrophobicContact CB-CZ 4.2Å; S740-F743 WeakPolarHBondContact OG-CD2 3.45Å; E741-F743 PolarHBondContact O-N 3.18Å; E741-F743 VanDerWaalsContact O-O 3.12Å; F743-P813 HydrophobicContact CD1-CG 4.49Å; F743-P813 HydrophobicContact CE1-CG 4.27Å
744	K	69.2	Low	86.6	Confident	193 Å²	193	44.4 Å²	44.4	84%	0.839	22%	0.221	S	C	*	.			trans	-77	-33	-177.1	-66.5	178.4	-178.8	175.1	0	112.4	D742	D742-K744 PolarHBondContact O-N 3.29Å
745	D	79.2	Confident	86.9	Confident	119 Å²	119	44 Å²	44	64%	0.636	22%	0.22	S	C	*	.	S	Bend	trans	-77.3	161	-179.6	-64.6	-59	0	0	0	112.7
746	N	84.6	Confident	87.1	Confident	66 Å²	66	44.1 Å²	44.1	35%	0.353	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-88.8	135.8	174.7	-75.8	-83.3	0	0	0	109.5	S720 F721 S722	S720-N746 VanDerWaalsContact CB-O 3.23Å; S720-N746 WeakPolarHBondContact CB-O 3.27Å; F721-N746 WeakPolarHBondContact O-CB 3.48Å; S722-N746 WeakPolarHBondContact CA-OD1 3.37Å
747	P	87.7	Confident	87.5	Confident	3 Å²	3	44 Å²	44	2%	0.019	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-53	148.9	179.5	-30.1	36.5	0	0	0	114.7	S720 F721 R723 E737 V738 V751	S720-P747 CarbonylContact C-O 3.6Å; S720-P747 WeakPolarHBondContact CA-O 3.36Å; S720-P747 WeakPolarHBondContact CB-O 3.34Å; F721-P747 HydrophobicContact CD1-CB 4.5Å; F721-P747 VanDerWaalsContact CD1-O 3.27Å; F721-P747 WeakPolarHBondContact CD1-O 3.35Å; F721-P747 HydrophobicContact CE1-CB 3.86Å; F721-P747 HydrophobicContact CE2-CB 4.02Å; F721-P747 HydrophobicContact CZ-CB 3.6Å; F721-P747 PolarHBondContact N-O 3.37Å; R723-P747 HydrophobicContact CG-CG 3.92Å; E737-P747 HydrophobicContact CG-CB 4.3Å; E737-P747 HydrophobicContact CG-CG 4.18Å; E737-P747 WeakPolarHBondContact O-CG 3.16Å; V738-P747 HydrophobicContact CG2-CB 4.34Å; V738-P747 HydrophobicContact CG2-CG 4.29Å; P747-V751 HydrophobicContact CB-CG1 3.78Å
748	T	91.8	Very high	87.8	Confident	24 Å²	24	43.9 Å²	43.9	15%	0.147	22%	0.219	C	C	.	.			trans	-127.1	-167.3	-172.9	72.7	0	0	0	0	110.7	H719 A750 V751	H719-T748 WeakPolarHBondContact O-CB 3.3Å; H719-T748 WeakPolarHBondContact O-CG2 3.39Å; T748-A750 PolarHBondContact O-N 3.14Å; T748-A750 VanDerWaalsContact O-N 3.09Å; T748-A750 WeakPolarHBondContact OG1-CB 3.43Å; T748-A750 PolarHBondContact OG1-N 3.02Å; T748-A750 VanDerWaalsContact OG1-N 3.12Å; T748-V751 WeakPolarHBondContact O-CG2 3.29Å; T748-V751 PolarHBondContact O-N 2.6Å
749	Y	94.3	Very high	88.3	Confident	37 Å²	37	43.5 Å²	43.5	15%	0.145	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-22.5	166.8	-49.5	-80.8	0	0	0	114.1	H676 K679 V681 L714 V751 D752	H676-Y749 HydrophobicContact CB-CD1 4Å; H676-Y749 HydrophobicContact CB-CE1 4.49Å; H676-Y749 AromaticContact CD2-CD1 3.68Å; H676-Y749 AromaticContact CG-CD1 3.73Å; K679-Y749 WeakPolarHBondContact CD-OH 3.44Å; V681-Y749 HydrophobicContact CG2-CD1 3.77Å; V681-Y749 HydrophobicContact CG2-CE1 3.89Å; V681-Y749 HydrophobicContact CG2-CG 4.47Å; L714-Y749 HydrophobicContact CD1-CE1 4.29Å; L714-Y749 HydrophobicContact CD1-CE2 4.16Å; L714-Y749 WeakPolarHBondContact CD1-OH 3.46Å; Y749-V751 PolarHBondContact O-N 3.5Å; Y749-V751 VanDerWaalsContact O-N 3.15Å; Y749-D752 PolarHBondContact O-N 2.93Å; Y749-D752 VanDerWaalsContact O-N 3.15Å
750	A	95.8	Very high	89.2	Confident	9 Å²	9	41 Å²	41	7%	0.074	20%	0.204	C	C	.	.	H	α-helix	trans	-61.1	-19.9	-179.9	0	0	0	0	0	114	T748 I753 F754 P813 R816	T748-A750 PolarHBondContact O-N 3.14Å; T748-A750 VanDerWaalsContact O-N 3.09Å; T748-A750 WeakPolarHBondContact OG1-CB 3.43Å; T748-A750 PolarHBondContact OG1-N 3.02Å; T748-A750 VanDerWaalsContact OG1-N 3.12Å; A750-I753 PolarHBondContact O-N 3.23Å; A750-F754 PolarHBondContact O-N 3.04Å; A750-P813 HydrophobicContact CB-CB 3.92Å; A750-P813 WeakPolarHBondContact CB-O 3.27Å; A750-R816 WeakPolarHBondContact O-CD 3.5Å; A750-R816 PolarHBondContact O-NH1 2.9Å
751	V	95.9	Very high	90.2	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.03	20%	0.199	C	C	.	.	H	α-helix	trans	-63.2	-43.7	174.2	-55.1	0	0	0	0	111.1	V681 F721 A735 E737 V738 P747 T748 Y749 I753 F754 S755	V681-V751 HydrophobicContact CG1-CG2 3.64Å; F721-V751 HydrophobicContact CE1-CG2 4.39Å; F721-V751 HydrophobicContact CZ-CG1 4.36Å; F721-V751 HydrophobicContact CZ-CG2 4.36Å; A735-V751 HydrophobicContact CB-CB 4.02Å; A735-V751 HydrophobicContact CB-CG1 4.21Å; E737-V751 HydrophobicContact CG-CG1 4.46Å; E737-V751 WeakPolarHBondContact OE1-CG1 3.32Å; V738-V751 HydrophobicContact CG2-CB 4.22Å; V738-V751 HydrophobicContact CG2-CG1 3.47Å; V738-V751 VanDerWaalsContact CG2-CG1 3.47Å; P747-V751 HydrophobicContact CB-CG1 3.78Å; T748-V751 WeakPolarHBondContact O-CG2 3.29Å; T748-V751 PolarHBondContact O-N 2.6Å; Y749-V751 PolarHBondContact O-N 3.5Å; Y749-V751 VanDerWaalsContact O-N 3.15Å; V751-I753 VanDerWaalsContact C-N 3.28Å; V751-I753 PolarHBondContact O-N 3.11Å; V751-F754 WeakPolarHBondContact O-CB 3.5Å; V751-F754 PolarHBondContact O-N 3.38Å; V751-S755 PolarHBondContact O-N 3.32Å; V751-S755 VanDerWaalsContact O-N 3.14Å; V751-S755 PolarHBondContact O-OG 3.24Å
752	D	97.8	Very high	91.5	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-70.4	-29.6	-178.1	-56.6	-29.9	0	0	0	111.3	L672 H676 V681 H682 R683 Y749 A756	L672-D752 HydrophobicContact CD1-CB 3.83Å; L672-D752 HydrophobicContact CD2-CB 3.92Å; L672-D752 HydrophobicContact CG-CB 4.39Å; H676-D752 IonicContact CD2-OD2 3.04Å; H676-D752 IonicContact CE1-OD2 2.76Å; H676-D752 IonicContact NE2-OD2 2.68Å; H676-D752 PolarHBondContact NE2-OD2 2.68Å; V681-D752 VanDerWaalsContact CG1-OD2 3.26Å; V681-D752 WeakPolarHBondContact CG1-OD2 3.42Å; H682-D752 WeakPolarHBondContact CB-OD1 3.48Å; H682-D752 PolarHBondContact N-OD1 2.69Å; H682-D752 PolarHBondContact N-OD2 2.76Å; R683-D752 PolarHBondContact N-OD1 3.15Å; Y749-D752 PolarHBondContact O-N 2.93Å; Y749-D752 VanDerWaalsContact O-N 3.15Å; D752-A756 WeakPolarHBondContact O-CB 3.35Å; D752-A756 PolarHBondContact O-N 3.24Å
753	I	98.6	Very high	92.9	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.01	13%	0.126	C	C	.	.	H	α-helix	trans	-67.5	-38.5	175.9	-54.4	-60.2	0	0	0	111	M669 L672 A750 V751 A756 G757 M808 R816 P817 A819	M669-I753 HydrophobicContact CE-CD1 4.11Å; L672-I753 HydrophobicContact CD2-CD1 4.26Å; A750-I753 PolarHBondContact O-N 3.23Å; V751-I753 VanDerWaalsContact C-N 3.28Å; V751-I753 PolarHBondContact O-N 3.11Å; I753-A756 PolarHBondContact O-N 3.4Å; I753-G757 PolarHBondContact O-N 3.06Å; I753-M808 HydrophobicContact CG2-CB 4.09Å; I753-M808 HydrophobicContact CG2-CE 4.24Å; I753-M808 HydrophobicContact CG2-CG 3.89Å; I753-R816 HydrophobicContact CB-CB 4.39Å; I753-R816 HydrophobicContact CG2-CB 4.01Å; I753-P817 WeakPolarHBondContact CG1-O 3.47Å; I753-P817 HydrophobicContact CG2-CG 4.49Å; I753-P817 WeakPolarHBondContact CG2-O 3.47Å; I753-A819 HydrophobicContact CD1-CB 4.07Å
754	F	98.4	Very high	94	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.4	-49.3	174.7	-178.4	-87.7	0	0	0	111.2	A735 P736 A750 V751 A756 G757 C758 F771 I781 M808 L809	A735-F754 HydrophobicContact CB-CB 3.83Å; A735-F754 HydrophobicContact CB-CD1 3.79Å; A735-F754 HydrophobicContact CB-CG 3.88Å; P736-F754 HydrophobicContact CG-CE2 4.44Å; A750-F754 PolarHBondContact O-N 3.04Å; V751-F754 WeakPolarHBondContact O-CB 3.5Å; V751-F754 PolarHBondContact O-N 3.38Å; F754-A756 VanDerWaalsContact C-N 3.28Å; F754-A756 PolarHBondContact O-N 2.96Å; F754-G757 WeakPolarHBondContact O-CA 3.44Å; F754-G757 PolarHBondContact O-N 3.28Å; F754-C758 PolarHBondContact O-N 3.16Å; F754-C758 VanDerWaalsContact O-N 3.1Å; F754-F771 HydrophobicContact CE1-CE2 4.12Å; F754-F771 HydrophobicContact CE2-CE2 4.13Å; F754-F771 AromaticContact CE2-CZ 3.86Å; F754-F771 HydrophobicContact CE2-CZ 3.86Å; F754-F771 HydrophobicContact CZ-CD2 4.47Å; F754-F771 HydrophobicContact CZ-CE1 4.47Å; F754-F771 AromaticContact CZ-CE2 3.46Å; F754-F771 HydrophobicContact CZ-CE2 3.46Å; F754-F771 VanDerWaalsContact CZ-CE2 3.46Å; F754-F771 AromaticContact CZ-CZ 3.47Å; F754-F771 HydrophobicContact CZ-CZ 3.47Å; F754-F771 VanDerWaalsContact CZ-CZ 3.47Å; F754-I781 HydrophobicContact CE1-CD1 4.07Å; F754-I781 HydrophobicContact CE1-CG1 4.18Å; F754-I781 HydrophobicContact CE1-CG2 4.06Å; F754-I781 HydrophobicContact CZ-CB 4.47Å; F754-I781 HydrophobicContact CZ-CD1 4.41Å; F754-I781 HydrophobicContact CZ-CG1 4.01Å; F754-I781 HydrophobicContact CZ-CG2 3.78Å; F754-M808 WeakPolarHBondContact CA-O 3.35Å; F754-L809 HydrophobicContact CD2-CD2 4.33Å; F754-L809 HydrophobicContact CE2-CD2 4.29Å
755	S	98.3	Very high	95.2	Very high	6 Å²	6	16.5 Å²	16.5	4%	0.042	9%	0.091	C	C	.	.	H	α-helix	trans	-60.4	-38.2	175.7	-50.1	0	0	0	0	111.7	L685 W733 V751 C758 V759	L685-S755 WeakPolarHBondContact O-CB 3.49Å; W733-S755 WeakPolarHBondContact O-CB 3.4Å; W733-S755 PolarHBondContact O-OG 2.73Å; V751-S755 PolarHBondContact O-N 3.32Å; V751-S755 VanDerWaalsContact O-N 3.14Å; V751-S755 PolarHBondContact O-OG 3.24Å; S755-C758 WeakPolarHBondContact O-CB 3.48Å; S755-C758 PolarHBondContact O-N 2.65Å; S755-V759 WeakPolarHBondContact O-CG2 3.29Å; S755-V759 PolarHBondContact O-N 3.2Å
756	A	98.7	Very high	95.9	Very high	2 Å²	2	18.2 Å²	18.2	2%	0.017	10%	0.095	C	C	.	.	H	α-helix	trans	-63.1	-39.2	171.2	0	0	0	0	0	112.3	M669 L672 L685 D752 I753 F754 C758 V759 F760 M808	M669-A756 HydrophobicContact SD-CB 3.91Å; L672-A756 HydrophobicContact CD2-CB 4.44Å; L685-A756 HydrophobicContact CD2-CB 3.94Å; D752-A756 WeakPolarHBondContact O-CB 3.35Å; D752-A756 PolarHBondContact O-N 3.24Å; I753-A756 PolarHBondContact O-N 3.4Å; F754-A756 VanDerWaalsContact C-N 3.28Å; F754-A756 PolarHBondContact O-N 2.96Å; A756-C758 VanDerWaalsContact C-N 3.31Å; A756-C758 PolarHBondContact O-N 2.9Å; A756-V759 CarbonylContact O-C 3.54Å; A756-V759 WeakPolarHBondContact O-CB 3.05Å; A756-V759 PolarHBondContact O-N 3.45Å; A756-V759 VanDerWaalsContact O-N 3.08Å; A756-F760 WeakPolarHBondContact O-CD2 3.22Å; A756-F760 PolarHBondContact O-N 3.4Å; A756-M808 HydrophobicContact CB-CE 3.54Å
757	G	98.6	Very high	96.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-59.2	-40.7	174.6	0	0	0	0	0	112.6	I753 F754 F760 Y761	I753-G757 PolarHBondContact O-N 3.06Å; F754-G757 WeakPolarHBondContact O-CA 3.44Å; F754-G757 PolarHBondContact O-N 3.28Å; G757-F760 PolarHBondContact O-N 3.07Å; G757-Y761 PolarHBondContact O-N 3.37Å; G757-Y761 VanDerWaalsContact O-N 3.16Å
758	C	98.5	Very high	96.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-62.8	-42.8	171.3	-69.1	0	0	0	0	112.3	W733 F754 S755 A756 Y762 H769 P770	W733-C758 HydrophobicContact CE3-CB 3.71Å; W733-C758 HydrophobicContact CZ3-CB 3.73Å; F754-C758 PolarHBondContact O-N 3.16Å; F754-C758 VanDerWaalsContact O-N 3.1Å; S755-C758 WeakPolarHBondContact O-CB 3.48Å; S755-C758 PolarHBondContact O-N 2.65Å; A756-C758 VanDerWaalsContact C-N 3.31Å; A756-C758 PolarHBondContact O-N 2.9Å; C758-Y762 WeakPolarHBondContact O-CB 3.03Å; C758-Y762 PolarHBondContact O-N 3.36Å; C758-H769 WeakPolarHBondContact CB-NE2 3.45Å; C758-P770 HydrophobicContact CB-CG 4.4Å
759	V	98.7	Very high	97	Very high	3 Å²	3	16.8 Å²	16.8	2%	0.018	9%	0.094	C	C	.	.	H	α-helix	trans	-65.3	-39.8	176.8	171	0	0	0	0	112	L645 L665 P687 I690 W733 S755 A756 Y762 V763	L645-V759 HydrophobicContact CD2-CG1 3.63Å; L665-V759 HydrophobicContact CD2-CG1 4.17Å; P687-V759 HydrophobicContact CG-CG2 4.27Å; I690-V759 HydrophobicContact CD1-CG1 3.78Å; I690-V759 HydrophobicContact CD1-CG2 4.23Å; W733-V759 HydrophobicContact CE3-CG2 4.19Å; W733-V759 HydrophobicContact CZ3-CG2 3.85Å; S755-V759 WeakPolarHBondContact O-CG2 3.29Å; S755-V759 PolarHBondContact O-N 3.2Å; A756-V759 CarbonylContact O-C 3.54Å; A756-V759 WeakPolarHBondContact O-CB 3.05Å; A756-V759 PolarHBondContact O-N 3.45Å; A756-V759 VanDerWaalsContact O-N 3.08Å; V759-Y762 PolarHBondContact O-N 3.15Å; V759-V763 HydrophobicContact CG1-CG2 4.46Å; V759-V763 WeakPolarHBondContact O-CG2 3.34Å; V759-V763 PolarHBondContact O-N 3.35Å
760	F	98.7	Very high	97.1	Very high	1 Å²	1	15.1 Å²	15.1	0%	0.004	9%	0.088	C	C	.	.	H	α-helix	trans	-59.1	-51.5	176.3	-88.4	-131.1	0	0	0	110.4	L665 M669 A756 G757 Y762 V763 V764 L804 I805 M808 V822 F827 F828	L665-F760 HydrophobicContact CB-CD2 4.46Å; L665-F760 HydrophobicContact CB-CE1 4.45Å; L665-F760 HydrophobicContact CB-CE2 4.13Å; L665-F760 HydrophobicContact CB-CZ 4.14Å; L665-F760 HydrophobicContact CD1-CB 4.32Å; L665-F760 HydrophobicContact CD1-CD1 4.05Å; L665-F760 HydrophobicContact CD1-CD2 4.24Å; L665-F760 HydrophobicContact CD1-CE1 4.47Å; L665-F760 HydrophobicContact CD1-CG 3.94Å; L665-F760 HydrophobicContact CD2-CD2 3.68Å; L665-F760 HydrophobicContact CD2-CE2 4.03Å; L665-F760 HydrophobicContact CD2-CG 4.18Å; L665-F760 HydrophobicContact CG-CD2 4.34Å; L665-F760 HydrophobicContact CG-CE2 4.49Å; M669-F760 HydrophobicContact CG-CE2 3.68Å; M669-F760 HydrophobicContact CG-CZ 3.52Å; M669-F760 HydrophobicContact SD-CE2 3.77Å; M669-F760 HydrophobicContact SD-CZ 4.07Å; A756-F760 WeakPolarHBondContact O-CD2 3.22Å; A756-F760 PolarHBondContact O-N 3.4Å; G757-F760 PolarHBondContact O-N 3.07Å; F760-Y762 VanDerWaalsContact C-N 3.33Å; F760-Y762 PolarHBondContact O-N 2.79Å; F760-V763 PolarHBondContact O-N 3.47Å; F760-V764 WeakPolarHBondContact O-CG2 3.44Å; F760-V764 PolarHBondContact O-N 3.31Å; F760-L804 HydrophobicContact CD1-CD2 4.19Å; F760-L804 HydrophobicContact CE1-CD2 3.7Å; F760-L804 HydrophobicContact CE1-CG 4.45Å; F760-I805 HydrophobicContact CB-CD1 4.15Å; F760-I805 HydrophobicContact CB-CG1 3.91Å; F760-M808 HydrophobicContact CD1-SD 4.2Å; F760-M808 HydrophobicContact CD2-CE 4.14Å; F760-M808 HydrophobicContact CE1-SD 4.14Å; F760-M808 HydrophobicContact CE2-CE 3.95Å; F760-M808 HydrophobicContact CG-CE 4.49Å; F760-M808 HydrophobicContact CG-SD 4.45Å; F760-M808 HydrophobicContact CZ-CE 4.13Å; F760-M808 HydrophobicContact CZ-SD 4.31Å; F760-V822 HydrophobicContact CE1-CG1 4.33Å; F760-V822 HydrophobicContact CZ-CG1 3.95Å; F760-F827 HydrophobicContact CD1-CD1 4.45Å; F760-F827 AromaticContact CD1-CE1 3.99Å; F760-F827 HydrophobicContact CD1-CE1 3.99Å; F760-F827 HydrophobicContact CD1-CZ 4.45Å; F760-F827 HydrophobicContact CE1-CD1 4.01Å; F760-F827 AromaticContact CE1-CE1 3.81Å; F760-F827 HydrophobicContact CE1-CE1 3.81Å; F760-F828 HydrophobicContact CE1-CE2 4.13Å; F760-F828 AromaticContact CE1-CZ 3.68Å; F760-F828 HydrophobicContact CE1-CZ 3.68Å; F760-F828 HydrophobicContact CZ-CE2 4.17Å; F760-F828 AromaticContact CZ-CZ 3.63Å; F760-F828 HydrophobicContact CZ-CZ 3.63Å
761	Y	98.4	Very high	97	Very high	3 Å²	3	14.8 Å²	14.8	1%	0.012	8%	0.084	C	C	.	.	H	α-helix	trans	-60.3	-43.6	176.6	-172.6	-105.3	0	0	0	111.8	G757 V763 V764 S765 P770 L788 D789 Y790 L791 I805	G757-Y761 PolarHBondContact O-N 3.37Å; G757-Y761 VanDerWaalsContact O-N 3.16Å; Y761-V763 VanDerWaalsContact C-N 3.3Å; Y761-V763 PolarHBondContact O-N 3.32Å; Y761-V764 PolarHBondContact O-N 3.06Å; Y761-S765 VanDerWaalsContact O-CB 3.22Å; Y761-S765 WeakPolarHBondContact O-CB 3.17Å; Y761-S765 PolarHBondContact O-N 2.92Å; Y761-S765 PolarHBondContact O-OG 2.99Å; Y761-P770 HydrophobicContact CD1-CB 4Å; Y761-P770 HydrophobicContact CD1-CG 4.29Å; Y761-P770 HydrophobicContact CE1-CB 4.41Å; Y761-P770 HydrophobicContact CG-CB 4.22Å; Y761-P770 HydrophobicContact CG-CG 4.48Å; Y761-L788 HydrophobicContact CD2-CD2 3.39Å; Y761-L788 HydrophobicContact CE2-CB 4.03Å; Y761-L788 HydrophobicContact CE2-CD2 3.53Å; Y761-L788 HydrophobicContact CE2-CG 4.39Å; Y761-L788 HydrophobicContact CG-CD2 3.94Å; Y761-L788 WeakPolarHBondContact OH-CA 3.41Å; Y761-D789 PolarHBondContact OH-N 3.34Å; Y761-Y790 WeakPolarHBondContact OH-CD2 3.47Å; Y761-Y790 PolarHBondContact OH-N 2.96Å; Y761-L791 HydrophobicContact CD2-CD1 4.35Å; Y761-L791 HydrophobicContact CE2-CD1 4.4Å; Y761-L791 HydrophobicContact CE2-CG 4.28Å; Y761-I805 HydrophobicContact CD2-CD1 4.42Å
762	Y	98.2	Very high	96.6	Very high	6 Å²	6	16 Å²	16	2%	0.024	10%	0.098	C	C	.	.	H	α-helix	trans	-57.6	-39.6	177.2	174	-90.3	0	0	0	113.4	Q646 V649 E650 P687 W733 C758 V759 F760 Q766 G767 S768	Q646-Y762 WeakPolarHBondContact CA-OH 3.48Å; V649-Y762 HydrophobicContact CB-CE1 3.7Å; V649-Y762 HydrophobicContact CG1-CE1 3.89Å; V649-Y762 HydrophobicContact CG2-CD1 4.12Å; V649-Y762 HydrophobicContact CG2-CE1 3.6Å; E650-Y762 WeakPolarHBondContact CG-OH 3.27Å; E650-Y762 PolarHBondContact OE1-OH 2.9Å; P687-Y762 HydrophobicContact CB-CD1 4.14Å; P687-Y762 HydrophobicContact CB-CE1 3.71Å; P687-Y762 HydrophobicContact CG-CD1 3.62Å; P687-Y762 HydrophobicContact CG-CE1 3.68Å; P687-Y762 HydrophobicContact CG-CG 4.09Å; W733-Y762 HydrophobicContact CH2-CD2 4.27Å; W733-Y762 HydrophobicContact CH2-CG 4.29Å; C758-Y762 WeakPolarHBondContact O-CB 3.03Å; C758-Y762 PolarHBondContact O-N 3.36Å; V759-Y762 PolarHBondContact O-N 3.15Å; F760-Y762 VanDerWaalsContact C-N 3.33Å; F760-Y762 PolarHBondContact O-N 2.79Å; Y762-Q766 PolarHBondContact O-N 3.36Å; Y762-G767 WeakPolarHBondContact CD2-O 3.43Å; Y762-G767 WeakPolarHBondContact CE2-O 3.31Å; Y762-G767 PolarHBondContact O-N 3Å; Y762-S768 WeakPolarHBondContact CA-O 3.37Å
763	V	97.3	Very high	95.8	Very high	7 Å²	7	21.9 Å²	21.9	4%	0.042	12%	0.123	C	C	.	.	H	α-helix	trans	-72.5	-45.5	177	168.8	0	0	0	0	112.3	L645 V649 P661 L665 V759 F760 Y761 Q766	L645-V763 HydrophobicContact CD1-CG2 3.84Å; L645-V763 HydrophobicContact CD2-CG2 3.95Å; L645-V763 HydrophobicContact CG-CG2 4.22Å; V649-V763 HydrophobicContact CG2-CG2 4.21Å; P661-V763 HydrophobicContact CB-CG1 3.69Å; L665-V763 HydrophobicContact CD1-CB 4.15Å; L665-V763 HydrophobicContact CD1-CG1 3.98Å; L665-V763 HydrophobicContact CD2-CB 4.07Å; L665-V763 HydrophobicContact CD2-CG1 4.32Å; L665-V763 HydrophobicContact CD2-CG2 3.94Å; L665-V763 HydrophobicContact CG-CB 4.3Å; L665-V763 HydrophobicContact CG-CG1 4.06Å; V759-V763 HydrophobicContact CG1-CG2 4.46Å; V759-V763 WeakPolarHBondContact O-CG2 3.34Å; V759-V763 PolarHBondContact O-N 3.35Å; F760-V763 PolarHBondContact O-N 3.47Å; Y761-V763 VanDerWaalsContact C-N 3.3Å; Y761-V763 PolarHBondContact O-N 3.32Å; V763-Q766 PolarHBondContact O-N 2.78Å
764	V	95.4	Very high	94.7	Very high	44 Å²	44	25.7 Å²	25.7	27%	0.267	15%	0.151	S	C	.	.	H	α-helix	trans	-75.5	-30.4	-178	-56.8	0	0	0	0	113.4	L665 F760 Y761 Q766 L791 I805 F827	L665-V764 HydrophobicContact CD1-CG1 4.44Å; F760-V764 WeakPolarHBondContact O-CG2 3.44Å; F760-V764 PolarHBondContact O-N 3.31Å; Y761-V764 PolarHBondContact O-N 3.06Å; V764-Q766 VanDerWaalsContact C-N 3.32Å; V764-L791 HydrophobicContact CG2-CD2 3.97Å; V764-I805 HydrophobicContact CG2-CD1 4.24Å; V764-F827 HydrophobicContact CG1-CE2 4.36Å; V764-F827 HydrophobicContact CG1-CZ 4.17Å
765	S	95.3	Very high	93	Very high	10 Å²	10	33.6 Å²	33.6	7%	0.07	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	4.7	175.9	68.6	0	0	0	0	114.1	Y761 G767 S768	Y761-S765 VanDerWaalsContact O-CB 3.22Å; Y761-S765 WeakPolarHBondContact O-CB 3.17Å; Y761-S765 PolarHBondContact O-N 2.92Å; Y761-S765 PolarHBondContact O-OG 2.99Å; S765-G767 PolarHBondContact O-N 2.78Å; S765-S768 VanDerWaalsContact OG-CB 3.32Å; S765-S768 WeakPolarHBondContact OG-CB 3.44Å; S765-S768 PolarHBondContact OG-N 2.75Å; S765-S768 PolarHBondContact OG-O 3.43Å
766	Q	93.8	Very high	91.9	Very high	154 Å²	154	36.3 Å²	36.3	72%	0.72	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	43.2	177.3	-52.5	-178.2	27.1	0	0	113.9	V649 Y762 V763 V764	V649-Q766 VanDerWaalsContact CG1-C 3.42Å; Y762-Q766 PolarHBondContact O-N 3.36Å; V763-Q766 PolarHBondContact O-N 2.78Å; V764-Q766 VanDerWaalsContact C-N 3.32Å
767	G	93.1	Very high	91.2	Very high	23 Å²	23	38.2 Å²	38.2	24%	0.237	21%	0.211	C	C	.	.	S	Bend	trans	121.7	-11	170.9	0	0	0	0	0	115.7	Y762 S765	Y762-G767 WeakPolarHBondContact CD2-O 3.43Å; Y762-G767 WeakPolarHBondContact CE2-O 3.31Å; Y762-G767 PolarHBondContact O-N 3Å; S765-G767 PolarHBondContact O-N 2.78Å
768	S	95.4	Very high	90.3	Very high	31 Å²	31	39.5 Å²	39.5	22%	0.217	22%	0.217	C	C	.	.			trans	-74.9	165.8	176.8	-63.2	0	0	0	0	112	Y762 S765 Y790	Y762-S768 WeakPolarHBondContact CA-O 3.37Å; S765-S768 VanDerWaalsContact OG-CB 3.32Å; S765-S768 WeakPolarHBondContact OG-CB 3.44Å; S765-S768 PolarHBondContact OG-N 2.75Å; S765-S768 PolarHBondContact OG-O 3.43Å; S768-Y790 WeakPolarHBondContact OG-CE2 3.43Å
769	H	96.9	Very high	89.3	Confident	10 Å²	10	42.1 Å²	42.1	5%	0.046	24%	0.238	C	C	.	.			trans	-132.7	139.5	-178.8	-174.7	-91.9	0	0	0	109.1	G732 W733 C758 F771 G772 R777	G732-H769 PolarHBondContact O-CE1 3.15Å; G732-H769 PolarHBondContact O-NE2 3.26Å; G732-H769 VanDerWaalsContact O-NE2 3.16Å; W733-H769 AromaticContact CE3-NE2 3.88Å; W733-H769 AromaticContact CH2-CD2 3.64Å; W733-H769 AromaticContact CZ3-CD2 3.72Å; W733-H769 AromaticContact CZ3-NE2 3.86Å; C758-H769 WeakPolarHBondContact CB-NE2 3.45Å; H769-F771 AromaticContact CE1-CD2 3.82Å; H769-F771 PolarHBondContact ND1-N 3.02Å; H769-F771 PolarHBondContact O-N 2.73Å; H769-G772 PolarHBondContact O-N 2.99Å; H769-R777 VanDerWaalsContact CB-CZ 3.48Å; H769-R777 VanDerWaalsContact CG-NE 3.33Å; H769-R777 VanDerWaalsContact ND1-CD 3.32Å; H769-R777 WeakPolarHBondContact ND1-CD 3.36Å; H769-R777 WeakPolarHBondContact ND1-CG 3.25Å; H769-R777 PolarHBondContact ND1-NE 3.22Å
770	P	96.4	Very high	88.7	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.013	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-28.6	-168.2	25.2	-31.7	0	0	0	111.9	C758 Y761 Y786 S787 L788 L809	C758-P770 HydrophobicContact CB-CG 4.4Å; Y761-P770 HydrophobicContact CD1-CB 4Å; Y761-P770 HydrophobicContact CD1-CG 4.29Å; Y761-P770 HydrophobicContact CE1-CB 4.41Å; Y761-P770 HydrophobicContact CG-CB 4.22Å; Y761-P770 HydrophobicContact CG-CG 4.48Å; P770-Y786 CarbonylContact O-C 3.46Å; P770-Y786 VanDerWaalsContact O-CA 3.27Å; P770-Y786 WeakPolarHBondContact O-CA 3.3Å; P770-Y786 WeakPolarHBondContact O-CB 3.42Å; P770-S787 WeakPolarHBondContact CA-O 3.48Å; P770-S787 PolarHBondContact O-N 2.57Å; P770-L788 HydrophobicContact CB-CD2 3.86Å; P770-L809 HydrophobicContact CB-CD1 3.68Å; P770-L809 HydrophobicContact CG-CD1 3.66Å; P770-L809 HydrophobicContact CG-CD2 4.4Å
771	F	95.5	Very high	88.3	Confident	1 Å²	1	44.1 Å²	44.1	0%	0.004	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	18.3	174.3	-57.5	-84.8	0	0	0	114.1	F754 H769 R777 N780 I781 G785 Y786 L809	F754-F771 HydrophobicContact CE1-CE2 4.12Å; F754-F771 HydrophobicContact CE2-CE2 4.13Å; F754-F771 AromaticContact CE2-CZ 3.86Å; F754-F771 HydrophobicContact CE2-CZ 3.86Å; F754-F771 HydrophobicContact CZ-CD2 4.47Å; F754-F771 HydrophobicContact CZ-CE1 4.47Å; F754-F771 AromaticContact CZ-CE2 3.46Å; F754-F771 HydrophobicContact CZ-CE2 3.46Å; F754-F771 VanDerWaalsContact CZ-CE2 3.46Å; F754-F771 AromaticContact CZ-CZ 3.47Å; F754-F771 HydrophobicContact CZ-CZ 3.47Å; F754-F771 VanDerWaalsContact CZ-CZ 3.47Å; H769-F771 AromaticContact CE1-CD2 3.82Å; H769-F771 PolarHBondContact ND1-N 3.02Å; H769-F771 PolarHBondContact O-N 2.73Å; F771-R777 HydrophobicContact CB-CB 4.38Å; F771-R777 WeakPolarHBondContact O-CA 3.34Å; F771-N780 HydrophobicContact CB-CB 3.89Å; F771-N780 HydrophobicContact CD1-CB 4.17Å; F771-N780 PolarHBondContact O-ND2 2.61Å; F771-I781 HydrophobicContact CB-CG1 3.97Å; F771-I781 HydrophobicContact CD1-CB 4.29Å; F771-I781 HydrophobicContact CD1-CG1 3.61Å; F771-I781 HydrophobicContact CD2-CD1 4.05Å; F771-I781 HydrophobicContact CD2-CG1 3.46Å; F771-I781 VanDerWaalsContact CD2-CG1 3.46Å; F771-I781 HydrophobicContact CE1-CB 4.4Å; F771-I781 HydrophobicContact CE1-CG1 3.9Å; F771-I781 HydrophobicContact CE2-CD1 4.49Å; F771-I781 HydrophobicContact CE2-CG1 3.77Å; F771-I781 HydrophobicContact CG-CB 4.49Å; F771-I781 HydrophobicContact CG-CD1 4.27Å; F771-I781 HydrophobicContact CG-CG1 3.39Å; F771-I781 HydrophobicContact CZ-CG1 3.99Å; F771-G785 WeakPolarHBondContact CD1-O 3.34Å; F771-Y786 HydrophobicContact CE1-CD1 4.28Å; F771-Y786 HydrophobicContact CE1-CG 4.41Å; F771-Y786 HydrophobicContact CZ-CD1 4.46Å; F771-L809 HydrophobicContact CE2-CD1 4.39Å; F771-L809 HydrophobicContact CE2-CD2 3.99Å
772	G	87.4	Confident	87.7	Confident	30 Å²	30	48.1 Å²	48.1	31%	0.309	27%	0.27	S	S	.	.			trans	85.7	-157.2	170.7	0	0	0	0	0	116.7	H769 R777	H769-G772 PolarHBondContact O-N 2.99Å; G772-R777 VanDerWaalsContact O-CG 3.3Å; G772-R777 WeakPolarHBondContact O-CG 3.46Å; G772-R777 PolarHBondContact O-NE 3.32Å
773	K	81.2	Confident	87.2	Confident	124 Å²	124	54.6 Å²	54.6	54%	0.539	30%	0.304	S	S	.	.	S	Bend	trans	-69.6	147.6	-175.8	-66.9	-178.4	178.1	178.7	0	111.2	E485 L775 Q776 R777	E485-K773 IonicContact OE1-NZ 3.25Å; E485-K773 PolarHBondContact OE1-NZ 2.97Å; K773-L775 PolarHBondContact O-N 3.31Å; K773-L775 VanDerWaalsContact O-N 3.13Å; K773-Q776 PolarHBondContact O-N 2.86Å; K773-R777 WeakPolarHBondContact O-CG 3.41Å; K773-R777 PolarHBondContact O-N 3.03Å
774	S	73.9	Confident	86.8	Confident	83 Å²	83	55.3 Å²	55.3	58%	0.58	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-39.2	-57.7	-167.2	47.6	0	0	0	0	115	Q776 R777	S774-Q776 PolarHBondContact O-N 3.27Å; S774-R777 PolarHBondContact O-N 3.47Å
775	L	62.7	Low	86.5	Confident	166 Å²	166	55 Å²	55	87%	0.869	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-60.3	-25.4	-177.8	-60.4	174.6	0	0	0	114.4	K773	K773-L775 PolarHBondContact O-N 3.31Å; K773-L775 VanDerWaalsContact O-N 3.13Å
776	Q	76.3	Confident	86.5	Confident	63 Å²	63	59 Å²	59	29%	0.294	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-93	-20.4	-177.9	-63	172.3	-20.9	0	0	112.7	K773 S774 Q778 A779 N780	K773-Q776 PolarHBondContact O-N 2.86Å; S774-Q776 PolarHBondContact O-N 3.27Å; Q776-Q778 PolarHBondContact O-N 3.25Å; Q776-A779 PolarHBondContact O-N 2.93Å; Q776-N780 WeakPolarHBondContact O-CB 3.27Å; Q776-N780 PolarHBondContact O-N 2.89Å
777	R	84.4	Confident	86.5	Confident	41 Å²	41	53.9 Å²	53.9	16%	0.155	31%	0.314	C	S	.	.	H	α-helix	trans	-53.7	-48.1	-168.4	-67.8	176.4	-178.1	173.6	1.4	112.7	G732 H769 F771 G772 K773 S774 N780 I781	G732-R777 VanDerWaalsContact CA-CB 3.48Å; H769-R777 VanDerWaalsContact CB-CZ 3.48Å; H769-R777 VanDerWaalsContact CG-NE 3.33Å; H769-R777 VanDerWaalsContact ND1-CD 3.32Å; H769-R777 WeakPolarHBondContact ND1-CD 3.36Å; H769-R777 WeakPolarHBondContact ND1-CG 3.25Å; H769-R777 PolarHBondContact ND1-NE 3.22Å; F771-R777 HydrophobicContact CB-CB 4.38Å; F771-R777 WeakPolarHBondContact O-CA 3.34Å; G772-R777 VanDerWaalsContact O-CG 3.3Å; G772-R777 WeakPolarHBondContact O-CG 3.46Å; G772-R777 PolarHBondContact O-NE 3.32Å; K773-R777 WeakPolarHBondContact O-CG 3.41Å; K773-R777 PolarHBondContact O-N 3.03Å; S774-R777 PolarHBondContact O-N 3.47Å; R777-N780 PolarHBondContact O-N 3.19Å; R777-I781 VanDerWaalsContact O-CG1 3.22Å; R777-I781 WeakPolarHBondContact O-CG1 3.46Å; R777-I781 PolarHBondContact O-N 2.9Å
778	Q	79.8	Confident	86.7	Confident	28 Å²	28	53.1 Å²	53.1	13%	0.131	31%	0.305	C	S	.	.	H	α-helix	trans	-72.4	-34.2	-172.2	-158.1	61.3	78.9	0	0	113.1	I734 L739 Q776 L782	I734-Q778 PolarHBondContact O-NE2 2.86Å; L739-Q778 VanDerWaalsContact CD1-CD 3.41Å; L739-Q778 HydrophobicContact CD1-CG 3.91Å; Q776-Q778 PolarHBondContact O-N 3.25Å; Q778-L782 WeakPolarHBondContact O-CG 3.2Å; Q778-L782 PolarHBondContact O-N 3.33Å
779	A	75.6	Confident	86.5	Confident	55 Å²	55	57.9 Å²	57.9	46%	0.455	33%	0.328	S	S	.	.	H	α-helix	trans	-67.5	-45	171.8	0	0	0	0	0	111.3	Q776 I781 L782 L783	Q776-A779 PolarHBondContact O-N 2.93Å; A779-I781 VanDerWaalsContact C-N 3.3Å; A779-I781 PolarHBondContact O-N 2.98Å; A779-L782 PolarHBondContact O-N 3Å; A779-L782 VanDerWaalsContact O-N 3.16Å; A779-L783 WeakPolarHBondContact O-CG 3.49Å; A779-L783 PolarHBondContact O-N 3.19Å
780	N	86.7	Confident	86.2	Confident	46 Å²	46	64.4 Å²	64.4	25%	0.246	35%	0.353	C	S	.	.	H	α-helix	trans	-60.7	-37.5	176.2	-76.5	-13.7	0	0	0	112.3	F771 Q776 R777 L783 G784 G785	F771-N780 HydrophobicContact CB-CB 3.89Å; F771-N780 HydrophobicContact CD1-CB 4.17Å; F771-N780 PolarHBondContact O-ND2 2.61Å; Q776-N780 WeakPolarHBondContact O-CB 3.27Å; Q776-N780 PolarHBondContact O-N 2.89Å; R777-N780 PolarHBondContact O-N 3.19Å; N780-L783 PolarHBondContact O-N 3.18Å; N780-G784 PolarHBondContact O-N 2.92Å; N780-G785 WeakPolarHBondContact CB-O 3.49Å; N780-G785 PolarHBondContact O-N 2.91Å
781	I	89.8	Confident	86	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-60.9	-48.7	172.1	-72.2	165	0	0	0	111.3	G732 P736 F754 F771 R777 A779 L783 G784 M811	G732-I781 VanDerWaalsContact O-CD1 3.27Å; G732-I781 WeakPolarHBondContact O-CD1 3.46Å; P736-I781 HydrophobicContact CB-CG2 4.04Å; P736-I781 HydrophobicContact CG-CG2 4.42Å; F754-I781 HydrophobicContact CE1-CD1 4.07Å; F754-I781 HydrophobicContact CE1-CG1 4.18Å; F754-I781 HydrophobicContact CE1-CG2 4.06Å; F754-I781 HydrophobicContact CZ-CB 4.47Å; F754-I781 HydrophobicContact CZ-CD1 4.41Å; F754-I781 HydrophobicContact CZ-CG1 4.01Å; F754-I781 HydrophobicContact CZ-CG2 3.78Å; F771-I781 HydrophobicContact CB-CG1 3.97Å; F771-I781 HydrophobicContact CD1-CB 4.29Å; F771-I781 HydrophobicContact CD1-CG1 3.61Å; F771-I781 HydrophobicContact CD2-CD1 4.05Å; F771-I781 HydrophobicContact CD2-CG1 3.46Å; F771-I781 VanDerWaalsContact CD2-CG1 3.46Å; F771-I781 HydrophobicContact CE1-CB 4.4Å; F771-I781 HydrophobicContact CE1-CG1 3.9Å; F771-I781 HydrophobicContact CE2-CD1 4.49Å; F771-I781 HydrophobicContact CE2-CG1 3.77Å; F771-I781 HydrophobicContact CG-CB 4.49Å; F771-I781 HydrophobicContact CG-CD1 4.27Å; F771-I781 HydrophobicContact CG-CG1 3.39Å; F771-I781 HydrophobicContact CZ-CG1 3.99Å; R777-I781 VanDerWaalsContact O-CG1 3.22Å; R777-I781 WeakPolarHBondContact O-CG1 3.46Å; R777-I781 PolarHBondContact O-N 2.9Å; A779-I781 VanDerWaalsContact C-N 3.3Å; A779-I781 PolarHBondContact O-N 2.98Å; I781-L783 VanDerWaalsContact C-N 3.29Å; I781-L783 PolarHBondContact O-N 3.28Å; I781-G784 PolarHBondContact O-N 3.42Å; I781-G784 VanDerWaalsContact O-N 3.08Å; I781-M811 WeakPolarHBondContact O-CE 3.39Å
782	L	87.6	Confident	85.7	Confident	86 Å²	86	69.1 Å²	69.1	45%	0.45	38%	0.375	S	S	.	.	H	α-helix	trans	-64	-34.2	179.7	-70.8	170.1	0	0	0	112.5	L739 Q778 A779 G784	L739-L782 HydrophobicContact CB-CD2 3.89Å; L739-L782 HydrophobicContact CD1-CD2 4.4Å; Q778-L782 WeakPolarHBondContact O-CG 3.2Å; Q778-L782 PolarHBondContact O-N 3.33Å; A779-L782 PolarHBondContact O-N 3Å; A779-L782 VanDerWaalsContact O-N 3.16Å; L782-G784 VanDerWaalsContact C-N 3.31Å
783	L	86.4	Confident	85.7	Confident	143 Å²	143	71.3 Å²	71.3	75%	0.749	39%	0.386	S	S	*	.	H	α-helix	trans	-79.8	-9.5	175	-64.9	172.4	0	0	0	113.7	A779 N780 I781 G785	A779-L783 WeakPolarHBondContact O-CG 3.49Å; A779-L783 PolarHBondContact O-N 3.19Å; N780-L783 PolarHBondContact O-N 3.18Å; I781-L783 VanDerWaalsContact C-N 3.29Å; I781-L783 PolarHBondContact O-N 3.28Å; L783-G785 PolarHBondContact O-N 3.15Å
784	G	89.3	Confident	86	Confident	22 Å²	22	70.6 Å²	70.6	23%	0.227	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	14.3	-172.9	0	0	0	0	0	114.8	N780 I781 L782 Y786	N780-G784 PolarHBondContact O-N 2.92Å; I781-G784 PolarHBondContact O-N 3.42Å; I781-G784 VanDerWaalsContact O-N 3.08Å; L782-G784 VanDerWaalsContact C-N 3.31Å; G784-Y786 PolarHBondContact O-N 3.2Å
785	G	90	Very high	86.9	Confident	38 Å²	38	70.8 Å²	70.8	39%	0.392	38%	0.378	S	S	.	.			trans	-87.4	102.6	-177.5	0	0	0	0	0	111.9	F771 N780 L783	F771-G785 WeakPolarHBondContact CD1-O 3.34Å; N780-G785 WeakPolarHBondContact CB-O 3.49Å; N780-G785 PolarHBondContact O-N 2.91Å; L783-G785 PolarHBondContact O-N 3.15Å
786	Y	94.1	Very high	88.5	Confident	93 Å²	93	64 Å²	64	37%	0.365	34%	0.342	S	S	.	.			trans	-124.6	159.5	174.9	68.6	-90.2	0	0	0	112.4	P770 F771 G784 L788 E806 L809	P770-Y786 CarbonylContact O-C 3.46Å; P770-Y786 VanDerWaalsContact O-CA 3.27Å; P770-Y786 WeakPolarHBondContact O-CA 3.3Å; P770-Y786 WeakPolarHBondContact O-CB 3.42Å; F771-Y786 HydrophobicContact CE1-CD1 4.28Å; F771-Y786 HydrophobicContact CE1-CG 4.41Å; F771-Y786 HydrophobicContact CZ-CD1 4.46Å; G784-Y786 PolarHBondContact O-N 3.2Å; Y786-L788 HydrophobicContact CD2-CD1 4.33Å; Y786-L788 HydrophobicContact CD2-CD2 4.32Å; Y786-L788 HydrophobicContact CD2-CG 3.9Å; Y786-L788 HydrophobicContact CE2-CD1 3.87Å; Y786-L788 HydrophobicContact CE2-CG 3.93Å; Y786-E806 HydrophobicContact CE2-CG 4.3Å; Y786-L809 HydrophobicContact CD2-CD1 4.46Å
787	S	94.9	Very high	89.3	Confident	46 Å²	46	63.1 Å²	63.1	32%	0.322	35%	0.349	S	S	.	.			trans	-124	144.5	171.4	148.6	0	0	0	0	109.5	P770 D789	P770-S787 WeakPolarHBondContact CA-O 3.48Å; P770-S787 PolarHBondContact O-N 2.57Å; S787-D789 WeakPolarHBondContact CB-OD2 3.36Å; S787-D789 PolarHBondContact OG-N 2.91Å; S787-D789 PolarHBondContact OG-OD2 2.84Å
788	L	95.9	Very high	89.8	Confident	7 Å²	7	63.4 Å²	63.4	4%	0.037	35%	0.352	C	S	.	.			trans	-125	35.4	171.8	-59.5	177.7	0	0	0	110.6	Y761 P770 Y786 Y790 L791 R802 I805 E806 L809	Y761-L788 HydrophobicContact CD2-CD2 3.39Å; Y761-L788 HydrophobicContact CE2-CB 4.03Å; Y761-L788 HydrophobicContact CE2-CD2 3.53Å; Y761-L788 HydrophobicContact CE2-CG 4.39Å; Y761-L788 HydrophobicContact CG-CD2 3.94Å; Y761-L788 WeakPolarHBondContact OH-CA 3.41Å; P770-L788 HydrophobicContact CB-CD2 3.86Å; Y786-L788 HydrophobicContact CD2-CD1 4.33Å; Y786-L788 HydrophobicContact CD2-CD2 4.32Å; Y786-L788 HydrophobicContact CD2-CG 3.9Å; Y786-L788 HydrophobicContact CE2-CD1 3.87Å; Y786-L788 HydrophobicContact CE2-CG 3.93Å; L788-Y790 PolarHBondContact O-N 3.17Å; L788-Y790 VanDerWaalsContact O-N 3.15Å; L788-L791 HydrophobicContact CB-CD1 4.49Å; L788-L791 PolarHBondContact O-N 3.09Å; L788-R802 HydrophobicContact CD1-CG 4.17Å; L788-R802 PolarHBondContact O-NH2 3.31Å; L788-I805 HydrophobicContact CD1-CG2 4.11Å; L788-I805 HydrophobicContact CD2-CG2 3.76Å; L788-E806 HydrophobicContact CD1-CG 3.49Å; L788-E806 VanDerWaalsContact CD1-CG 3.49Å; L788-L809 HydrophobicContact CD2-CD1 4.44Å
789	D	92.1	Very high	90.6	Very high	131 Å²	131	62.9 Å²	62.9	70%	0.701	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-17.6	-168.8	-60	-35.1	0	0	0	114.1	Y761 S787 L791	Y761-D789 PolarHBondContact OH-N 3.34Å; S787-D789 WeakPolarHBondContact CB-OD2 3.36Å; S787-D789 PolarHBondContact OG-N 2.91Å; S787-D789 PolarHBondContact OG-OD2 2.84Å; D789-L791 PolarHBondContact O-N 3.36Å
790	Y	90.6	Very high	91.7	Very high	147 Å²	147	60.4 Å²	60.4	58%	0.576	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-5.4	172.8	-76.2	-102.6	0	0	0	113.5	Y761 S768 L788	Y761-Y790 WeakPolarHBondContact OH-CD2 3.47Å; Y761-Y790 PolarHBondContact OH-N 2.96Å; S768-Y790 WeakPolarHBondContact OG-CE2 3.43Å; L788-Y790 PolarHBondContact O-N 3.17Å; L788-Y790 VanDerWaalsContact O-N 3.15Å
791	L	92.3	Very high	92.2	Very high	7 Å²	7	58.5 Å²	58.5	4%	0.037	32%	0.32	C	S	.	.	S	Bend	trans	-105.9	116.6	174	-61.2	176.9	0	0	0	109.8	Y761 V764 L788 D789 E798 A801 R802 I805	Y761-L791 HydrophobicContact CD2-CD1 4.35Å; Y761-L791 HydrophobicContact CE2-CD1 4.4Å; Y761-L791 HydrophobicContact CE2-CG 4.28Å; V764-L791 HydrophobicContact CG2-CD2 3.97Å; L788-L791 HydrophobicContact CB-CD1 4.49Å; L788-L791 PolarHBondContact O-N 3.09Å; D789-L791 PolarHBondContact O-N 3.36Å; L791-E798 HydrophobicContact CB-CB 4.26Å; L791-E798 HydrophobicContact CD2-CB 4.06Å; L791-E798 HydrophobicContact CD2-CG 4.11Å; L791-A801 HydrophobicContact CD1-CB 4.28Å; L791-A801 HydrophobicContact CD2-CB 4.27Å; L791-R802 HydrophobicContact CD1-CB 3.98Å; L791-R802 VanDerWaalsContact O-CZ 3.27Å; L791-R802 PolarHBondContact O-NH1 2.87Å; L791-R802 PolarHBondContact O-NH2 3.3Å; L791-I805 HydrophobicContact CD1-CD1 4.13Å
792	Q	88.4	Confident	92.6	Very high	96 Å²	96	60.6 Å²	60.6	45%	0.449	33%	0.328	S	S	.	.			trans	-83.2	140.3	-177.2	-58.1	-177.4	-40.8	0	0	111.2	D794 K795 E798	Q792-D794 WeakPolarHBondContact CB-OD1 3.46Å; Q792-D794 PolarHBondContact O-N 2.95Å; Q792-K795 HydrophobicContact CB-CD 4.32Å; Q792-E798 VanDerWaalsContact CB-OE2 3.31Å; Q792-E798 WeakPolarHBondContact CB-OE2 3.36Å; Q792-E798 WeakPolarHBondContact CG-OE2 3.25Å; Q792-E798 PolarHBondContact N-OE2 3.13Å
793	S	88.1	Confident	93.1	Very high	76 Å²	76	57.9 Å²	57.9	53%	0.531	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	0.7	-171.7	-56.4	0	0	0	0	114.4	I799 R802 H935	S793-I799 WeakPolarHBondContact O-CD1 3.04Å; S793-R802 PolarHBondContact OG-NH1 3.19Å; S793-H935 PolarHBondContact O-CE1 2.86Å
794	D	88.1	Confident	93.6	Very high	108 Å²	108	51.1 Å²	51.1	58%	0.578	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.7	0.2	-175.9	66.6	-31.1	0	0	0	113.9	Q792 P934	Q792-D794 WeakPolarHBondContact CB-OD1 3.46Å; Q792-D794 PolarHBondContact O-N 2.95Å; D794-P934 WeakPolarHBondContact O-CB 3.38Å; D794-P934 WeakPolarHBondContact O-CG 3.2Å
795	K	92.9	Very high	94.1	Very high	87 Å²	87	50.1 Å²	50.1	38%	0.378	27%	0.268	S	S	.	.			trans	-110.6	126.3	177	-72.6	170.9	174.9	164.8	0	112	Q792 G797 E798 I799	Q792-K795 HydrophobicContact CB-CD 4.32Å; K795-G797 PolarHBondContact O-N 2.83Å; K795-E798 HydrophobicContact CB-CB 4.2Å; K795-E798 HydrophobicContact CB-CG 4.4Å; K795-E798 HydrophobicContact CD-CG 4.27Å; K795-E798 WeakPolarHBondContact CD-OE1 3.27Å; K795-E798 WeakPolarHBondContact CD-OE2 3.43Å; K795-E798 WeakPolarHBondContact CE-OE1 3.34Å; K795-E798 IonicContact NZ-OE1 3.17Å; K795-E798 PolarHBondContact NZ-OE1 3.38Å; K795-E798 IonicContact NZ-OE2 2.78Å; K795-E798 PolarHBondContact NZ-OE2 2.96Å; K795-E798 PolarHBondContact O-N 3.17Å; K795-E798 VanDerWaalsContact O-N 3.15Å; K795-I799 WeakPolarHBondContact O-CD1 3.45Å; K795-I799 VanDerWaalsContact O-CG1 3.27Å; K795-I799 WeakPolarHBondContact O-CG1 3.15Å; K795-I799 PolarHBondContact O-N 2.9Å
796	H	94.7	Very high	94.4	Very high	25 Å²	25	52 Å²	52	12%	0.116	27%	0.267	C	S	.	.	H	α-helix	trans	-42.6	-60	178.9	172.5	81.6	0	0	0	114.5	E798 I799 V800 E834 T930 P934	H796-E798 VanDerWaalsContact C-N 3.33Å; H796-E798 PolarHBondContact O-N 2.92Å; H796-I799 PolarHBondContact O-N 3.46Å; H796-V800 WeakPolarHBondContact O-CG2 3.28Å; H796-V800 PolarHBondContact O-N 3.35Å; H796-E834 IonicContact CD2-OE1 3.95Å; H796-E834 IonicContact CE1-OE1 2.71Å; H796-E834 PolarHBondContact CE1-OE1 3.43Å; H796-E834 IonicContact CE1-OE2 3.27Å; H796-E834 PolarHBondContact CE1-OE2 3.16Å; H796-E834 VanDerWaalsContact NE2-CD 3.3Å; H796-E834 IonicContact NE2-OE1 3.71Å; H796-E834 PolarHBondContact NE2-OE1 2.76Å; H796-E834 IonicContact NE2-OE2 2.68Å; H796-E834 PolarHBondContact NE2-OE2 3.34Å; H796-T930 VanDerWaalsContact CE1-CG2 3.44Å; H796-T930 WeakPolarHBondContact CE1-CG2 3.34Å; H796-T930 WeakPolarHBondContact ND1-CB 3.4Å; H796-P934 HydrophobicContact CB-CB 4.46Å
797	G	93.8	Very high	94.6	Very high	43 Å²	43	50.4 Å²	50.4	44%	0.443	26%	0.263	S	S	.	.	H	α-helix	trans	-65.4	-32.8	-175.9	0	0	0	0	0	114	K795 A801	K795-G797 PolarHBondContact O-N 2.83Å; G797-A801 WeakPolarHBondContact O-CB 3.35Å; G797-A801 PolarHBondContact O-N 2.92Å
798	E	95.5	Very high	94.8	Very high	47 Å²	47	48.2 Å²	48.2	22%	0.22	25%	0.247	C	C	.	.	H	α-helix	trans	-78.8	-31.9	-179.5	-66.4	174	-150.4	0	0	111.5	L791 Q792 K795 H796 R802	L791-E798 HydrophobicContact CB-CB 4.26Å; L791-E798 HydrophobicContact CD2-CB 4.06Å; L791-E798 HydrophobicContact CD2-CG 4.11Å; Q792-E798 VanDerWaalsContact CB-OE2 3.31Å; Q792-E798 WeakPolarHBondContact CB-OE2 3.36Å; Q792-E798 WeakPolarHBondContact CG-OE2 3.25Å; Q792-E798 PolarHBondContact N-OE2 3.13Å; K795-E798 HydrophobicContact CB-CB 4.2Å; K795-E798 HydrophobicContact CB-CG 4.4Å; K795-E798 HydrophobicContact CD-CG 4.27Å; K795-E798 WeakPolarHBondContact CD-OE1 3.27Å; K795-E798 WeakPolarHBondContact CD-OE2 3.43Å; K795-E798 WeakPolarHBondContact CE-OE1 3.34Å; K795-E798 IonicContact NZ-OE1 3.17Å; K795-E798 PolarHBondContact NZ-OE1 3.38Å; K795-E798 IonicContact NZ-OE2 2.78Å; K795-E798 PolarHBondContact NZ-OE2 2.96Å; K795-E798 PolarHBondContact O-N 3.17Å; K795-E798 VanDerWaalsContact O-N 3.15Å; H796-E798 VanDerWaalsContact C-N 3.33Å; H796-E798 PolarHBondContact O-N 2.92Å; E798-R802 WeakPolarHBondContact O-CB 3.3Å; E798-R802 PolarHBondContact O-N 2.92Å
799	I	96.9	Very high	94.9	Very high	17 Å²	17	48 Å²	48	9%	0.087	25%	0.246	C	C	.	.	H	α-helix	trans	-64.8	-46.4	168.3	-65.3	156.5	0	0	0	110.9	S793 K795 H796 A801 R802 D803 P934 M938	S793-I799 WeakPolarHBondContact O-CD1 3.04Å; K795-I799 WeakPolarHBondContact O-CD1 3.45Å; K795-I799 VanDerWaalsContact O-CG1 3.27Å; K795-I799 WeakPolarHBondContact O-CG1 3.15Å; K795-I799 PolarHBondContact O-N 2.9Å; H796-I799 PolarHBondContact O-N 3.46Å; I799-A801 VanDerWaalsContact C-N 3.34Å; I799-R802 PolarHBondContact O-N 3.42Å; I799-D803 PolarHBondContact O-N 2.9Å; I799-D803 VanDerWaalsContact O-N 3.07Å; I799-P934 HydrophobicContact CD1-CB 3.73Å; I799-P934 HydrophobicContact CD1-CG 4.35Å; I799-P934 WeakPolarHBondContact CD1-O 3.41Å; I799-M938 HydrophobicContact CG2-CB 4.2Å; I799-M938 HydrophobicContact CG2-CG 4.31Å
800	V	97.8	Very high	95.1	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.024	22%	0.222	C	C	.	.	H	α-helix	trans	-65.7	-37.2	178.8	169.9	0	0	0	0	111.4	H796 H825 P826 F827 L937 M938	H796-V800 WeakPolarHBondContact O-CG2 3.28Å; H796-V800 PolarHBondContact O-N 3.35Å; V800-H825 VanDerWaalsContact C-CE1 3.42Å; V800-H825 WeakPolarHBondContact CG1-CE1 3.19Å; V800-H825 PolarHBondContact O-CE1 3.45Å; V800-P826 HydrophobicContact CG1-CB 3.88Å; V800-F827 HydrophobicContact CG1-CB 4.05Å; V800-L937 HydrophobicContact CG2-CD2 4.47Å; V800-M938 HydrophobicContact CG2-SD 4.24Å
801	A	97.6	Very high	95.2	Very high	5 Å²	5	39 Å²	39	4%	0.041	21%	0.209	C	C	.	.	H	α-helix	trans	-64.8	-43.8	171.9	0	0	0	0	0	112.2	L791 G797 I799 L804 I805 F827	L791-A801 HydrophobicContact CD1-CB 4.28Å; L791-A801 HydrophobicContact CD2-CB 4.27Å; G797-A801 WeakPolarHBondContact O-CB 3.35Å; G797-A801 PolarHBondContact O-N 2.92Å; I799-A801 VanDerWaalsContact C-N 3.34Å; A801-L804 PolarHBondContact O-N 3.11Å; A801-I805 WeakPolarHBondContact O-CB 3.35Å; A801-I805 WeakPolarHBondContact O-CD1 3.34Å; A801-I805 VanDerWaalsContact O-CG1 3.28Å; A801-I805 WeakPolarHBondContact O-CG1 3.21Å; A801-I805 PolarHBondContact O-N 2.87Å; A801-F827 HydrophobicContact CB-CD2 3.88Å; A801-F827 HydrophobicContact CB-CE2 3.73Å
802	R	97.8	Very high	95.3	Very high	45 Å²	45	41.3 Å²	41.3	17%	0.17	22%	0.221	C	C	.	.	H	α-helix	trans	-58.1	-52.5	178.3	172.4	176.9	-84.4	121.4	0.2	111.8	L788 L791 S793 E798 I799 L804 I805 E806	L788-R802 HydrophobicContact CD1-CG 4.17Å; L788-R802 PolarHBondContact O-NH2 3.31Å; L791-R802 HydrophobicContact CD1-CB 3.98Å; L791-R802 VanDerWaalsContact O-CZ 3.27Å; L791-R802 PolarHBondContact O-NH1 2.87Å; L791-R802 PolarHBondContact O-NH2 3.3Å; S793-R802 PolarHBondContact OG-NH1 3.19Å; E798-R802 WeakPolarHBondContact O-CB 3.3Å; E798-R802 PolarHBondContact O-N 2.92Å; I799-R802 PolarHBondContact O-N 3.42Å; R802-L804 VanDerWaalsContact C-N 3.25Å; R802-L804 PolarHBondContact O-N 3Å; R802-I805 PolarHBondContact O-N 3.31Å; R802-I805 VanDerWaalsContact O-N 3.11Å; R802-E806 WeakPolarHBondContact CD-OE1 3.42Å; R802-E806 VanDerWaalsContact CG-CD 3.43Å; R802-E806 HydrophobicContact CG-CG 4.02Å; R802-E806 WeakPolarHBondContact CG-OE1 3.15Å; R802-E806 IonicContact NE-OE1 3.41Å; R802-E806 WeakPolarHBondContact O-CB 3.19Å; R802-E806 WeakPolarHBondContact O-CG 3.48Å; R802-E806 PolarHBondContact O-N 3Å
803	D	97.3	Very high	95.5	Very high	28 Å²	28	37.8 Å²	37.8	15%	0.15	21%	0.207	C	C	.	.	H	α-helix	trans	-55.1	-40.7	-178.1	178.7	93.9	0	0	0	112.2	I799 Q807 H825 M938	I799-D803 PolarHBondContact O-N 2.9Å; I799-D803 VanDerWaalsContact O-N 3.07Å; D803-Q807 WeakPolarHBondContact O-CG 3.49Å; D803-Q807 PolarHBondContact O-N 2.82Å; D803-Q807 PolarHBondContact O-NE2 3.47Å; D803-Q807 PolarHBondContact OD2-NE2 2.82Å; D803-H825 IonicContact OD2-CD2 3.42Å; D803-H825 IonicContact OD2-CE1 3.5Å; D803-H825 IonicContact OD2-NE2 3.17Å; D803-H825 PolarHBondContact OD2-NE2 2.74Å; D803-M938 HydrophobicContact CB-CE 4.05Å; D803-M938 HydrophobicContact CB-CG 4Å; D803-M938 HydrophobicContact CB-SD 3.5Å; D803-M938 WeakPolarHBondContact CB-SD 3.08Å; D803-M938 VanDerWaalsContact CG-SD 3.5Å; D803-M938 WeakPolarHBondContact OD2-CE 3.46Å
804	L	98.3	Very high	95.6	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-69.3	-47.2	176.1	-178	54.1	0	0	0	112.4	F760 A801 R802 E806 Q807 M808 V822 H825 F827 F828	F760-L804 HydrophobicContact CD1-CD2 4.19Å; F760-L804 HydrophobicContact CE1-CD2 3.7Å; F760-L804 HydrophobicContact CE1-CG 4.45Å; A801-L804 PolarHBondContact O-N 3.11Å; R802-L804 VanDerWaalsContact C-N 3.25Å; R802-L804 PolarHBondContact O-N 3Å; L804-E806 PolarHBondContact O-N 2.77Å; L804-Q807 PolarHBondContact O-N 2.81Å; L804-M808 HydrophobicContact CD1-CG 4.16Å; L804-M808 HydrophobicContact CD1-SD 3.87Å; L804-M808 HydrophobicContact CD2-SD 4.47Å; L804-M808 HydrophobicContact CG-SD 3.81Å; L804-M808 WeakPolarHBondContact O-CG 3.37Å; L804-M808 PolarHBondContact O-N 2.89Å; L804-V822 HydrophobicContact CD1-CG1 4.27Å; L804-V822 HydrophobicContact CD1-CG2 4.3Å; L804-V822 HydrophobicContact CD2-CG1 4.35Å; L804-H825 HydrophobicContact CD1-CB 4.04Å; L804-H825 HydrophobicContact CD2-CB 4.1Å; L804-F827 HydrophobicContact CD2-CB 3.66Å; L804-F827 HydrophobicContact CD2-CD1 3.88Å; L804-F827 HydrophobicContact CD2-CG 3.9Å; L804-F828 HydrophobicContact CD2-CE2 4.35Å
805	I	98.6	Very high	95.9	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-64.5	-42.2	-177.5	-69.5	165.7	0	0	0	110.7	F760 Y761 V764 L788 L791 A801 R802 Q807 M808 L809	F760-I805 HydrophobicContact CB-CD1 4.15Å; F760-I805 HydrophobicContact CB-CG1 3.91Å; Y761-I805 HydrophobicContact CD2-CD1 4.42Å; V764-I805 HydrophobicContact CG2-CD1 4.24Å; L788-I805 HydrophobicContact CD1-CG2 4.11Å; L788-I805 HydrophobicContact CD2-CG2 3.76Å; L791-I805 HydrophobicContact CD1-CD1 4.13Å; A801-I805 WeakPolarHBondContact O-CB 3.35Å; A801-I805 WeakPolarHBondContact O-CD1 3.34Å; A801-I805 VanDerWaalsContact O-CG1 3.28Å; A801-I805 WeakPolarHBondContact O-CG1 3.21Å; A801-I805 PolarHBondContact O-N 2.87Å; R802-I805 PolarHBondContact O-N 3.31Å; R802-I805 VanDerWaalsContact O-N 3.11Å; I805-Q807 VanDerWaalsContact C-N 3.32Å; I805-Q807 PolarHBondContact O-N 2.83Å; I805-M808 PolarHBondContact O-N 2.87Å; I805-M808 VanDerWaalsContact O-N 3.15Å; I805-L809 HydrophobicContact CG2-CD1 3.62Å; I805-L809 HydrophobicContact CG2-CG 4.04Å; I805-L809 WeakPolarHBondContact O-CB 3.26Å; I805-L809 VanDerWaalsContact O-CG 3.29Å; I805-L809 WeakPolarHBondContact O-CG 3.29Å; I805-L809 PolarHBondContact O-N 3.38Å
806	E	97.7	Very high	96.1	Very high	77 Å²	77	37 Å²	37	36%	0.36	19%	0.185	S	C	.	.	H	α-helix	trans	-63.4	-35.4	176.6	-68.6	178.8	176.2	0	0	112.5	Y786 L788 R802 L804 S810	Y786-E806 HydrophobicContact CE2-CG 4.3Å; L788-E806 HydrophobicContact CD1-CG 3.49Å; L788-E806 VanDerWaalsContact CD1-CG 3.49Å; R802-E806 WeakPolarHBondContact CD-OE1 3.42Å; R802-E806 VanDerWaalsContact CG-CD 3.43Å; R802-E806 HydrophobicContact CG-CG 4.02Å; R802-E806 WeakPolarHBondContact CG-OE1 3.15Å; R802-E806 IonicContact NE-OE1 3.41Å; R802-E806 WeakPolarHBondContact O-CB 3.19Å; R802-E806 WeakPolarHBondContact O-CG 3.48Å; R802-E806 PolarHBondContact O-N 3Å; L804-E806 PolarHBondContact O-N 2.77Å; E806-S810 PolarHBondContact O-N 2.8Å
807	Q	97.8	Very high	96.1	Very high	60 Å²	60	37 Å²	37	28%	0.28	19%	0.186	S	C	.	.	H	α-helix	trans	-68	-40.7	171.7	-78.8	170.5	103.2	0	0	112.4	D803 L804 I805 P817 H825	D803-Q807 WeakPolarHBondContact O-CG 3.49Å; D803-Q807 PolarHBondContact O-N 2.82Å; D803-Q807 PolarHBondContact O-NE2 3.47Å; D803-Q807 PolarHBondContact OD2-NE2 2.82Å; L804-Q807 PolarHBondContact O-N 2.81Å; I805-Q807 VanDerWaalsContact C-N 3.32Å; I805-Q807 PolarHBondContact O-N 2.83Å; Q807-P817 HydrophobicContact CB-CG 4.37Å; Q807-H825 PolarHBondContact NE2-NE2 3.22Å
808	M	98.5	Very high	96.3	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-70.9	-35.5	179	-68.8	174.3	75.9	0	0	112.5	M669 I753 F754 A756 F760 L804 I805 S810 R816 P817 V822	M669-M808 HydrophobicContact SD-CE 4.31Å; I753-M808 HydrophobicContact CG2-CB 4.09Å; I753-M808 HydrophobicContact CG2-CE 4.24Å; I753-M808 HydrophobicContact CG2-CG 3.89Å; F754-M808 WeakPolarHBondContact CA-O 3.35Å; A756-M808 HydrophobicContact CB-CE 3.54Å; F760-M808 HydrophobicContact CD1-SD 4.2Å; F760-M808 HydrophobicContact CD2-CE 4.14Å; F760-M808 HydrophobicContact CE1-SD 4.14Å; F760-M808 HydrophobicContact CE2-CE 3.95Å; F760-M808 HydrophobicContact CG-CE 4.49Å; F760-M808 HydrophobicContact CG-SD 4.45Å; F760-M808 HydrophobicContact CZ-CE 4.13Å; F760-M808 HydrophobicContact CZ-SD 4.31Å; L804-M808 HydrophobicContact CD1-CG 4.16Å; L804-M808 HydrophobicContact CD1-SD 3.87Å; L804-M808 HydrophobicContact CD2-SD 4.47Å; L804-M808 HydrophobicContact CG-SD 3.81Å; L804-M808 WeakPolarHBondContact O-CG 3.37Å; L804-M808 PolarHBondContact O-N 2.89Å; I805-M808 PolarHBondContact O-N 2.87Å; I805-M808 VanDerWaalsContact O-N 3.15Å; M808-S810 VanDerWaalsContact C-N 3.28Å; M808-S810 PolarHBondContact O-N 3.45Å; M808-R816 VanDerWaalsContact O-CD 3.29Å; M808-R816 WeakPolarHBondContact O-CD 3.44Å; M808-P817 HydrophobicContact CG-CG 4.04Å; M808-V822 HydrophobicContact CE-CG1 4.3Å; M808-V822 HydrophobicContact CE-CG2 4.24Å; M808-V822 HydrophobicContact CG-CG2 4.19Å; M808-V822 HydrophobicContact SD-CG1 4.14Å; M808-V822 HydrophobicContact SD-CG2 4.07Å
809	L	97.9	Very high	96.3	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	6.9	179.4	-65.5	-176.4	0	0	0	114.4	F754 P770 F771 Y786 L788 I805 M811	F754-L809 HydrophobicContact CD2-CD2 4.33Å; F754-L809 HydrophobicContact CE2-CD2 4.29Å; P770-L809 HydrophobicContact CB-CD1 3.68Å; P770-L809 HydrophobicContact CG-CD1 3.66Å; P770-L809 HydrophobicContact CG-CD2 4.4Å; F771-L809 HydrophobicContact CE2-CD1 4.39Å; F771-L809 HydrophobicContact CE2-CD2 3.99Å; Y786-L809 HydrophobicContact CD2-CD1 4.46Å; L788-L809 HydrophobicContact CD2-CD1 4.44Å; I805-L809 HydrophobicContact CG2-CD1 3.62Å; I805-L809 HydrophobicContact CG2-CG 4.04Å; I805-L809 WeakPolarHBondContact O-CB 3.26Å; I805-L809 VanDerWaalsContact O-CG 3.29Å; I805-L809 WeakPolarHBondContact O-CG 3.29Å; I805-L809 PolarHBondContact O-N 3.38Å; L809-M811 PolarHBondContact O-N 3.47Å
810	S	96.7	Very high	96.2	Very high	29 Å²	29	38.2 Å²	38.2	20%	0.203	19%	0.186	C	C	.	.			trans	-58.9	131.5	-174	-152.8	0	0	0	0	112.8	E806 M808 D812 R816	E806-S810 PolarHBondContact O-N 2.8Å; M808-S810 VanDerWaalsContact C-N 3.28Å; M808-S810 PolarHBondContact O-N 3.45Å; S810-D812 PolarHBondContact O-N 2.8Å; S810-R816 PolarHBondContact O-NE 2.82Å; S810-R816 PolarHBondContact O-NH2 3.27Å
811	M	93.3	Very high	96.1	Very high	61 Å²	61	39 Å²	39	30%	0.3	19%	0.191	S	C	.	.	S	Bend	trans	-64.2	-22.4	177	-67.5	-60.8	-71.1	0	0	112.9	P736 I781 L809 P813	P736-M811 HydrophobicContact CB-CE 3.77Å; P736-M811 HydrophobicContact CB-SD 4.37Å; P736-M811 HydrophobicContact CG-CE 3.86Å; P736-M811 HydrophobicContact CG-SD 3.88Å; I781-M811 WeakPolarHBondContact O-CE 3.39Å; L809-M811 PolarHBondContact O-N 3.47Å; M811-P813 WeakPolarHBondContact O-CD 3.48Å
812	D	93.1	Very high	96.1	Very high	55 Å²	55	38.7 Å²	38.7	29%	0.294	19%	0.189	S	C	.	.	S	Bend	trans	-90.2	110.2	171.4	-179.8	-15.7	0	0	0	109.3	S810 Q814 R815	S810-D812 PolarHBondContact O-N 2.8Å; D812-Q814 PolarHBondContact O-N 2.77Å; D812-Q814 VanDerWaalsContact O-N 3.17Å; D812-Q814 PolarHBondContact OD1-N 2.94Å; D812-R815 HydrophobicContact CB-CB 4.38Å; D812-R815 HydrophobicContact CB-CG 3.94Å; D812-R815 PolarHBondContact O-N 2.97Å; D812-R815 VanDerWaalsContact O-N 3.07Å; D812-R815 IonicContact OD2-CZ 2.61Å; D812-R815 IonicContact OD2-NE 3.78Å; D812-R815 PolarHBondContact OD2-NE 3.02Å; D812-R815 IonicContact OD2-NH2 3.36Å; D812-R815 PolarHBondContact OD2-NH2 2.83Å
813	P	93.3	Very high	96.1	Very high	23 Å²	23	38.8 Å²	38.8	15%	0.149	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-63.1	-24.1	-175.6	-21.6	33.6	0	0	0	113.7	E737 F743 A750 M811 R815 R816	E737-P813 HydrophobicContact CB-CG 3.92Å; E737-P813 VanDerWaalsContact CD-CG 3.49Å; E737-P813 HydrophobicContact CG-CB 4.48Å; E737-P813 HydrophobicContact CG-CG 3.74Å; F743-P813 HydrophobicContact CD1-CG 4.49Å; F743-P813 HydrophobicContact CE1-CG 4.27Å; A750-P813 HydrophobicContact CB-CB 3.92Å; A750-P813 WeakPolarHBondContact CB-O 3.27Å; M811-P813 WeakPolarHBondContact O-CD 3.48Å; P813-R815 VanDerWaalsContact C-N 3.28Å; P813-R815 PolarHBondContact O-N 3.1Å; P813-R816 PolarHBondContact O-N 3.34Å
814	Q	90.9	Very high	96.1	Very high	66 Å²	66	40.1 Å²	40.1	31%	0.308	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-78.9	-11.3	179.4	-62.2	-69.2	-1.6	0	0	112.8	D812 T966	D812-Q814 PolarHBondContact O-N 2.77Å; D812-Q814 VanDerWaalsContact O-N 3.17Å; D812-Q814 PolarHBondContact OD1-N 2.94Å; Q814-T966 WeakPolarHBondContact O-CG2 3.41Å
815	R	93.1	Very high	96.1	Very high	177 Å²	177	40.3 Å²	40.3	67%	0.668	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-88.6	-15	172.3	-63.7	-178.9	-157.5	-162	3.7	113.3	D812 P813	D812-R815 HydrophobicContact CB-CB 4.38Å; D812-R815 HydrophobicContact CB-CG 3.94Å; D812-R815 PolarHBondContact O-N 2.97Å; D812-R815 VanDerWaalsContact O-N 3.07Å; D812-R815 IonicContact OD2-CZ 2.61Å; D812-R815 IonicContact OD2-NE 3.78Å; D812-R815 PolarHBondContact OD2-NE 3.02Å; D812-R815 IonicContact OD2-NH2 3.36Å; D812-R815 PolarHBondContact OD2-NH2 2.83Å; P813-R815 VanDerWaalsContact C-N 3.28Å; P813-R815 PolarHBondContact O-N 3.1Å
816	R	96.8	Very high	96	Very high	12 Å²	12	40.3 Å²	40.3	5%	0.045	20%	0.198	C	C	.	.	S	Bend	trans	-71.6	132.2	-179.2	-59.3	-176.2	-161.6	139.7	11.9	110.1	E737 A750 I753 M808 S810 P813	E737-R816 VanDerWaalsContact CD-NH1 3.31Å; E737-R816 IonicContact OE1-CZ 2.69Å; E737-R816 IonicContact OE1-NH1 3.05Å; E737-R816 PolarHBondContact OE1-NH1 2.92Å; E737-R816 IonicContact OE1-NH2 2.73Å; E737-R816 IonicContact OE2-CZ 3.3Å; E737-R816 IonicContact OE2-NH1 2.72Å; E737-R816 PolarHBondContact OE2-NH1 2.76Å; E737-R816 VanDerWaalsContact OE2-NH1 3.17Å; E737-R816 IonicContact OE2-NH2 3.59Å; E737-R816 PolarHBondContact OE2-NH2 2.77Å; A750-R816 WeakPolarHBondContact O-CD 3.5Å; A750-R816 PolarHBondContact O-NH1 2.9Å; I753-R816 HydrophobicContact CB-CB 4.39Å; I753-R816 HydrophobicContact CG2-CB 4.01Å; M808-R816 VanDerWaalsContact O-CD 3.29Å; M808-R816 WeakPolarHBondContact O-CD 3.44Å; S810-R816 PolarHBondContact O-NE 2.82Å; S810-R816 PolarHBondContact O-NH2 3.27Å; P813-R816 PolarHBondContact O-N 3.34Å
817	P	96.6	Very high	96.1	Very high	23 Å²	23	37.7 Å²	37.7	15%	0.149	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-67	147.2	178.6	26.8	-34.3	0	0	0	111.5	I753 Q807 M808 V822	I753-P817 WeakPolarHBondContact CG1-O 3.47Å; I753-P817 HydrophobicContact CG2-CG 4.49Å; I753-P817 WeakPolarHBondContact CG2-O 3.47Å; Q807-P817 HydrophobicContact CB-CG 4.37Å; M808-P817 HydrophobicContact CG-CG 4.04Å; P817-V822 HydrophobicContact CB-CG2 3.95Å; P817-V822 HydrophobicContact CG-CG2 3.58Å
818	S	96.5	Very high	96.1	Very high	45 Å²	45	35.8 Å²	35.8	32%	0.315	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-65.1	157.8	169.6	68	0	0	0	0	111	E820 S821 V822	S818-E820 PolarHBondContact O-N 2.78Å; S818-S821 CarbonylContact O-C 3.49Å; S818-S821 WeakPolarHBondContact O-CA 3.37Å; S818-S821 WeakPolarHBondContact O-CB 3.49Å; S818-S821 PolarHBondContact O-N 2.8Å; S818-S821 PolarHBondContact OG-N 2.93Å; S818-S821 PolarHBondContact OG-OG 3Å; S818-V822 WeakPolarHBondContact O-CG2 3.48Å; S818-V822 PolarHBondContact O-N 3.35Å
819	A	97	Very high	96	Very high	2 Å²	2	36.8 Å²	36.8	2%	0.017	18%	0.18	C	C	.	.	H	α-helix	trans	-55.7	-37.7	177.3	0	0	0	0	0	112.8	M669 A673 I753 S821 V822 L823	M669-A819 HydrophobicContact CE-CB 3.62Å; A673-A819 HydrophobicContact CB-CB 3.78Å; I753-A819 HydrophobicContact CD1-CB 4.07Å; A819-S821 VanDerWaalsContact C-N 3.33Å; A819-S821 PolarHBondContact O-N 3.22Å; A819-V822 PolarHBondContact O-N 3.09Å; A819-L823 WeakPolarHBondContact O-CG 3.47Å; A819-L823 PolarHBondContact O-N 2.9Å; A819-L823 VanDerWaalsContact O-N 3.08Å
820	E	94.9	Very high	96	Very high	87 Å²	87	40.9 Å²	40.9	41%	0.407	21%	0.205	S	C	.	.	H	α-helix	trans	-62.6	-35.9	171.9	-61.6	171.4	179	0	0	112.9	A673 S818 K824 Q962	A673-E820 HydrophobicContact CB-CG 4.42Å; S818-E820 PolarHBondContact O-N 2.78Å; E820-K824 PolarHBondContact O-N 2.9Å; E820-Q962 PolarHBondContact OE2-NE2 3.38Å
821	S	95.3	Very high	96	Very high	19 Å²	19	42.2 Å²	42.2	13%	0.133	21%	0.21	C	C	.	.	H	α-helix	trans	-75.7	-35.6	176.9	-55.4	0	0	0	0	111.9	S818 A819 K824 H825	S818-S821 CarbonylContact O-C 3.49Å; S818-S821 WeakPolarHBondContact O-CA 3.37Å; S818-S821 WeakPolarHBondContact O-CB 3.49Å; S818-S821 PolarHBondContact O-N 2.8Å; S818-S821 PolarHBondContact OG-N 2.93Å; S818-S821 PolarHBondContact OG-OG 3Å; A819-S821 VanDerWaalsContact C-N 3.33Å; A819-S821 PolarHBondContact O-N 3.22Å; S821-K824 WeakPolarHBondContact O-CB 3.08Å; S821-K824 PolarHBondContact O-N 3.38Å; S821-K824 VanDerWaalsContact O-N 3.16Å; S821-H825 PolarHBondContact O-N 3.48Å
822	V	98	Very high	96.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.4	-45.8	172.8	169.6	0	0	0	0	110.3	M669 F760 L804 M808 P817 S818 A819 K824 H825 F828	M669-V822 HydrophobicContact CE-CB 3.94Å; M669-V822 HydrophobicContact CE-CG1 3.84Å; M669-V822 HydrophobicContact CE-CG2 4.2Å; M669-V822 HydrophobicContact CG-CG1 3.87Å; M669-V822 HydrophobicContact SD-CG1 4.31Å; F760-V822 HydrophobicContact CE1-CG1 4.33Å; F760-V822 HydrophobicContact CZ-CG1 3.95Å; L804-V822 HydrophobicContact CD1-CG1 4.27Å; L804-V822 HydrophobicContact CD1-CG2 4.3Å; L804-V822 HydrophobicContact CD2-CG1 4.35Å; M808-V822 HydrophobicContact CE-CG1 4.3Å; M808-V822 HydrophobicContact CE-CG2 4.24Å; M808-V822 HydrophobicContact CG-CG2 4.19Å; M808-V822 HydrophobicContact SD-CG1 4.14Å; M808-V822 HydrophobicContact SD-CG2 4.07Å; P817-V822 HydrophobicContact CB-CG2 3.95Å; P817-V822 HydrophobicContact CG-CG2 3.58Å; S818-V822 WeakPolarHBondContact O-CG2 3.48Å; S818-V822 PolarHBondContact O-N 3.35Å; A819-V822 PolarHBondContact O-N 3.09Å; V822-K824 PolarHBondContact O-N 2.87Å; V822-K824 VanDerWaalsContact O-N 3.14Å; V822-H825 VanDerWaalsContact O-CB 3.31Å; V822-H825 WeakPolarHBondContact O-CB 3.49Å; V822-H825 PolarHBondContact O-N 3.31Å; V822-F828 HydrophobicContact CG1-CE2 3.89Å; V822-F828 WeakPolarHBondContact O-CD2 3.04Å; V822-F828 WeakPolarHBondContact O-CE2 3.48Å
823	L	97.3	Very high	96.4	Very high	46 Å²	46	45.4 Å²	45.4	24%	0.241	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.9	176	-72.6	167.4	0	0	0	114.4	Q666 M669 A673 A819	Q666-L823 HydrophobicContact CG-CD2 3.95Å; M669-L823 HydrophobicContact CB-CD2 3.75Å; M669-L823 HydrophobicContact CB-CG 3.96Å; A673-L823 HydrophobicContact CB-CD1 4.04Å; A819-L823 WeakPolarHBondContact O-CG 3.47Å; A819-L823 PolarHBondContact O-N 2.9Å; A819-L823 VanDerWaalsContact O-N 3.08Å
824	K	96.2	Very high	96.7	Very high	57 Å²	57	44.9 Å²	44.9	25%	0.248	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-19.8	173.4	-74.9	-78.4	-176	167.5	0	113.5	E820 S821 V822 W829 L954	E820-K824 PolarHBondContact O-N 2.9Å; S821-K824 WeakPolarHBondContact O-CB 3.08Å; S821-K824 PolarHBondContact O-N 3.38Å; S821-K824 VanDerWaalsContact O-N 3.16Å; V822-K824 PolarHBondContact O-N 2.87Å; V822-K824 VanDerWaalsContact O-N 3.14Å; K824-W829 PolarHBondContact O-NE1 3.44Å; K824-L954 PolarHBondContact NZ-O 3.49Å
825	H	98.1	Very high	97	Very high	5 Å²	5	42 Å²	42	2%	0.023	20%	0.203	C	C	.	.	S	Bend	trans	-62.1	147.1	-171.5	-166.4	-85.3	0	0	0	113	V800 D803 L804 Q807 S821 V822 F827 F828 W829 M938	V800-H825 VanDerWaalsContact C-CE1 3.42Å; V800-H825 WeakPolarHBondContact CG1-CE1 3.19Å; V800-H825 PolarHBondContact O-CE1 3.45Å; D803-H825 IonicContact OD2-CD2 3.42Å; D803-H825 IonicContact OD2-CE1 3.5Å; D803-H825 IonicContact OD2-NE2 3.17Å; D803-H825 PolarHBondContact OD2-NE2 2.74Å; L804-H825 HydrophobicContact CD1-CB 4.04Å; L804-H825 HydrophobicContact CD2-CB 4.1Å; Q807-H825 PolarHBondContact NE2-NE2 3.22Å; S821-H825 PolarHBondContact O-N 3.48Å; V822-H825 VanDerWaalsContact O-CB 3.31Å; V822-H825 WeakPolarHBondContact O-CB 3.49Å; V822-H825 PolarHBondContact O-N 3.31Å; H825-F827 PolarHBondContact ND1-N 3.18Å; H825-F827 VanDerWaalsContact ND1-N 3.16Å; H825-F827 PolarHBondContact O-N 3.16Å; H825-F828 PolarHBondContact O-N 2.92Å; H825-W829 VanDerWaalsContact O-CD1 3.25Å; H825-W829 PolarHBondContact O-NE1 3.41Å; H825-M938 VanDerWaalsContact CE1-SD 3.53Å; H825-M938 WeakPolarHBondContact NE2-CE 3.28Å
826	P	98.1	Very high	97.3	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.013	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-46	-28.4	173.7	-33.5	36.3	0	0	0	116.6	V800 F828 W829 L937 Y941	V800-P826 HydrophobicContact CG1-CB 3.88Å; P826-F828 PolarHBondContact O-N 2.89Å; P826-W829 HydrophobicContact CB-CD2 4.26Å; P826-W829 HydrophobicContact CB-CE3 4.37Å; P826-W829 HydrophobicContact CB-CZ2 4.48Å; P826-W829 HydrophobicContact CG-CD2 4.43Å; P826-W829 HydrophobicContact CG-CE3 4.49Å; P826-W829 HydrophobicContact CG-CH2 3.88Å; P826-W829 HydrophobicContact CG-CZ2 3.78Å; P826-W829 HydrophobicContact CG-CZ3 4.23Å; P826-W829 WeakPolarHBondContact O-CB 3.37Å; P826-W829 PolarHBondContact O-N 3.16Å; P826-L937 HydrophobicContact CB-CD2 3.99Å; P826-L937 HydrophobicContact CB-CG 4.41Å; P826-Y941 HydrophobicContact CG-CD1 4.12Å; P826-Y941 HydrophobicContact CG-CD2 3.62Å; P826-Y941 HydrophobicContact CG-CE1 4.33Å; P826-Y941 HydrophobicContact CG-CE2 3.88Å; P826-Y941 HydrophobicContact CG-CG 3.73Å
827	F	98.2	Very high	97.4	Very high	22 Å²	22	35.9 Å²	35.9	10%	0.096	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-54.6	-22.6	174.8	-177.2	-101.1	0	0	0	114.6	V662 L665 F760 V764 V800 A801 L804 H825	V662-F827 HydrophobicContact CG1-CE1 4.32Å; V662-F827 WeakPolarHBondContact CG1-O 3.35Å; V662-F827 HydrophobicContact CG2-CZ 4.23Å; L665-F827 HydrophobicContact CB-CE1 4.46Å; L665-F827 HydrophobicContact CD1-CE1 3.93Å; L665-F827 HydrophobicContact CD1-CZ 3.87Å; F760-F827 HydrophobicContact CD1-CD1 4.45Å; F760-F827 AromaticContact CD1-CE1 3.99Å; F760-F827 HydrophobicContact CD1-CE1 3.99Å; F760-F827 HydrophobicContact CD1-CZ 4.45Å; F760-F827 HydrophobicContact CE1-CD1 4.01Å; F760-F827 AromaticContact CE1-CE1 3.81Å; F760-F827 HydrophobicContact CE1-CE1 3.81Å; V764-F827 HydrophobicContact CG1-CE2 4.36Å; V764-F827 HydrophobicContact CG1-CZ 4.17Å; V800-F827 HydrophobicContact CG1-CB 4.05Å; A801-F827 HydrophobicContact CB-CD2 3.88Å; A801-F827 HydrophobicContact CB-CE2 3.73Å; L804-F827 HydrophobicContact CD2-CB 3.66Å; L804-F827 HydrophobicContact CD2-CD1 3.88Å; L804-F827 HydrophobicContact CD2-CG 3.9Å; H825-F827 PolarHBondContact ND1-N 3.18Å; H825-F827 VanDerWaalsContact ND1-N 3.16Å; H825-F827 PolarHBondContact O-N 3.16Å
828	F	97.9	Very high	97.5	Very high	20 Å²	20	35 Å²	35	9%	0.088	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-108.2	16.1	177.7	-62.6	-62.3	0	0	0	114.2	V662 L665 Q666 F760 L804 V822 H825 P826	V662-F828 HydrophobicContact CG1-CD1 3.86Å; V662-F828 HydrophobicContact CG1-CE1 4.21Å; L665-F828 HydrophobicContact CB-CE1 4.21Å; L665-F828 HydrophobicContact CB-CZ 4.36Å; Q666-F828 VanDerWaalsContact CA-CE1 3.45Å; Q666-F828 HydrophobicContact CB-CD1 3.57Å; Q666-F828 HydrophobicContact CB-CE1 3.54Å; Q666-F828 HydrophobicContact CB-CG 4.47Å; Q666-F828 HydrophobicContact CB-CZ 4.4Å; Q666-F828 HydrophobicContact CG-CD1 3.77Å; Q666-F828 HydrophobicContact CG-CE1 4.13Å; Q666-F828 HydrophobicContact CG-CG 4.22Å; F760-F828 HydrophobicContact CE1-CE2 4.13Å; F760-F828 AromaticContact CE1-CZ 3.68Å; F760-F828 HydrophobicContact CE1-CZ 3.68Å; F760-F828 HydrophobicContact CZ-CE2 4.17Å; F760-F828 AromaticContact CZ-CZ 3.63Å; F760-F828 HydrophobicContact CZ-CZ 3.63Å; L804-F828 HydrophobicContact CD2-CE2 4.35Å; V822-F828 HydrophobicContact CG1-CE2 3.89Å; V822-F828 WeakPolarHBondContact O-CD2 3.04Å; V822-F828 WeakPolarHBondContact O-CE2 3.48Å; H825-F828 PolarHBondContact O-N 2.92Å; P826-F828 PolarHBondContact O-N 2.89Å
829	W	97.7	Very high	97.5	Very high	21 Å²	21	35.3 Å²	35.3	8%	0.08	17%	0.173	C	C	.	.			trans	-89.4	141.4	-179.5	-65.8	13.2	0	0	0	110.7	K824 H825 P826 K833 E834 F837 L937 Y941 Y956	K824-W829 PolarHBondContact O-NE1 3.44Å; H825-W829 VanDerWaalsContact O-CD1 3.25Å; H825-W829 PolarHBondContact O-NE1 3.41Å; P826-W829 HydrophobicContact CB-CD2 4.26Å; P826-W829 HydrophobicContact CB-CE3 4.37Å; P826-W829 HydrophobicContact CB-CZ2 4.48Å; P826-W829 HydrophobicContact CG-CD2 4.43Å; P826-W829 HydrophobicContact CG-CE3 4.49Å; P826-W829 HydrophobicContact CG-CH2 3.88Å; P826-W829 HydrophobicContact CG-CZ2 3.78Å; P826-W829 HydrophobicContact CG-CZ3 4.23Å; P826-W829 WeakPolarHBondContact O-CB 3.37Å; P826-W829 PolarHBondContact O-N 3.16Å; W829-K833 HydrophobicContact CB-CB 4.11Å; W829-K833 HydrophobicContact CB-CD 4.01Å; W829-K833 HydrophobicContact CB-CG 4.18Å; W829-K833 VanDerWaalsContact CD1-NZ 3.32Å; W829-K833 HydrophobicContact CD2-CD 3.99Å; W829-K833 HydrophobicContact CD2-CG 4.08Å; W829-K833 HydrophobicContact CE3-CG 4.32Å; W829-K833 HydrophobicContact CG-CB 4.48Å; W829-K833 HydrophobicContact CG-CD 3.61Å; W829-K833 HydrophobicContact CG-CG 4Å; W829-K833 VanDerWaalsContact NE1-NZ 3.11Å; W829-E834 HydrophobicContact CB-CG 4.23Å; W829-E834 HydrophobicContact CE3-CG 4.39Å; W829-F837 HydrophobicContact CE3-CB 4.24Å; W829-F837 HydrophobicContact CH2-CB 4.21Å; W829-F837 HydrophobicContact CH2-CD1 4.24Å; W829-F837 AromaticContact CH2-CD2 3.83Å; W829-F837 HydrophobicContact CH2-CD2 3.83Å; W829-F837 HydrophobicContact CH2-CE2 4.25Å; W829-F837 AromaticContact CH2-CG 3.83Å; W829-F837 HydrophobicContact CH2-CG 3.83Å; W829-F837 HydrophobicContact CZ3-CB 3.5Å; W829-F837 VanDerWaalsContact CZ3-CB 3.5Å; W829-F837 AromaticContact CZ3-CD1 3.79Å; W829-F837 HydrophobicContact CZ3-CD1 3.79Å; W829-F837 AromaticContact CZ3-CD2 3.96Å; W829-F837 HydrophobicContact CZ3-CD2 3.96Å; W829-F837 AromaticContact CZ3-CG 3.47Å; W829-F837 HydrophobicContact CZ3-CG 3.47Å; W829-F837 VanDerWaalsContact CZ3-CG 3.47Å; W829-L937 HydrophobicContact CZ3-CD1 4.03Å; W829-Y941 AromaticContact CH2-CD2 3.79Å; W829-Y941 HydrophobicContact CH2-CD2 3.79Å; W829-Y941 HydrophobicContact CH2-CE2 4.14Å; W829-Y941 HydrophobicContact CZ2-CD2 4.07Å; W829-Y941 AromaticContact CZ2-CE2 3.94Å; W829-Y941 HydrophobicContact CZ2-CE2 3.94Å; W829-Y956 HydrophobicContact CD2-CD1 4.36Å; W829-Y956 HydrophobicContact CE3-CD1 4.2Å; W829-Y956 AromaticContact CH2-CD1 3.45Å; W829-Y956 HydrophobicContact CH2-CD1 3.45Å; W829-Y956 VanDerWaalsContact CH2-CD1 3.45Å; W829-Y956 HydrophobicContact CH2-CE1 4.44Å; W829-Y956 AromaticContact CH2-CG 3.89Å; W829-Y956 HydrophobicContact CH2-CG 3.89Å; W829-Y956 AromaticContact CZ2-CD1 3.63Å; W829-Y956 HydrophobicContact CZ2-CD1 3.63Å; W829-Y956 HydrophobicContact CZ2-CG 4.06Å; W829-Y956 AromaticContact CZ3-CD1 3.76Å; W829-Y956 HydrophobicContact CZ3-CD1 3.76Å; W829-Y956 HydrophobicContact CZ3-CE1 4.35Å
830	T	97.1	Very high	97.6	Very high	86 Å²	86	36.8 Å²	36.8	53%	0.528	18%	0.181	S	C	.	.			trans	-70.4	157.9	164.7	55.1	0	0	0	0	109.7	E832 K833 E834	T830-E832 PolarHBondContact O-N 2.83Å; T830-K833 CarbonylContact O-C 3.56Å; T830-K833 WeakPolarHBondContact O-CA 3.27Å; T830-K833 WeakPolarHBondContact O-CB 3.23Å; T830-K833 PolarHBondContact O-N 2.84Å; T830-K833 WeakPolarHBondContact OG1-CB 3.3Å; T830-K833 PolarHBondContact OG1-N 3.03Å; T830-E834 PolarHBondContact O-N 3.45Å
831	L	97.1	Very high	97.7	Very high	57 Å²	57	32.6 Å²	32.6	30%	0.298	16%	0.161	S	C	.	.	H	α-helix	trans	-57.3	-37.3	174.4	-64.1	177.3	0	0	0	111.6	K833 E834 L835 D923 V926	L831-K833 PolarHBondContact O-N 3.41Å; L831-E834 PolarHBondContact O-N 2.87Å; L831-L835 WeakPolarHBondContact O-CB 3.44Å; L831-L835 PolarHBondContact O-N 3.06Å; L831-D923 HydrophobicContact CB-CB 4.35Å; L831-D923 WeakPolarHBondContact CB-OD1 3.26Å; L831-D923 HydrophobicContact CD1-CB 3.72Å; L831-V926 HydrophobicContact CB-CG1 3.67Å; L831-V926 HydrophobicContact CD2-CG1 3.93Å; L831-V926 HydrophobicContact CG-CG1 4.29Å
832	E	97.6	Very high	97.8	Very high	127 Å²	127	31.7 Å²	31.7	59%	0.593	16%	0.155	S	C	*	.	H	α-helix	trans	-54.4	-46.8	167.3	-173.8	-176.2	-157.8	0	0	113	T830 L835 Q836 P922	T830-E832 PolarHBondContact O-N 2.83Å; E832-L835 PolarHBondContact O-N 3.1Å; E832-Q836 WeakPolarHBondContact O-CB 3.35Å; E832-Q836 PolarHBondContact O-N 3.14Å; E832-P922 HydrophobicContact CB-CB 4.15Å; E832-P922 HydrophobicContact CB-CG 3.77Å; E832-P922 HydrophobicContact CG-CB 4.41Å; E832-P922 HydrophobicContact CG-CG 4.11Å
833	K	97.9	Very high	97.8	Very high	56 Å²	56	34.5 Å²	34.5	24%	0.243	17%	0.17	C	C	.	.	H	α-helix	trans	-70.6	-35.3	-179.8	-173.6	179.5	179.6	-160	0	112.3	W829 T830 L831 Q836 F837 P955 Y956	W829-K833 HydrophobicContact CB-CB 4.11Å; W829-K833 HydrophobicContact CB-CD 4.01Å; W829-K833 HydrophobicContact CB-CG 4.18Å; W829-K833 VanDerWaalsContact CD1-NZ 3.32Å; W829-K833 HydrophobicContact CD2-CD 3.99Å; W829-K833 HydrophobicContact CD2-CG 4.08Å; W829-K833 HydrophobicContact CE3-CG 4.32Å; W829-K833 HydrophobicContact CG-CB 4.48Å; W829-K833 HydrophobicContact CG-CD 3.61Å; W829-K833 HydrophobicContact CG-CG 4Å; W829-K833 VanDerWaalsContact NE1-NZ 3.11Å; T830-K833 CarbonylContact O-C 3.56Å; T830-K833 WeakPolarHBondContact O-CA 3.27Å; T830-K833 WeakPolarHBondContact O-CB 3.23Å; T830-K833 PolarHBondContact O-N 2.84Å; T830-K833 WeakPolarHBondContact OG1-CB 3.3Å; T830-K833 PolarHBondContact OG1-N 3.03Å; L831-K833 PolarHBondContact O-N 3.41Å; K833-Q836 PolarHBondContact O-N 3.43Å; K833-F837 WeakPolarHBondContact O-CB 3.35Å; K833-F837 PolarHBondContact O-N 3.13Å; K833-P955 PolarHBondContact NZ-O 3.47Å; K833-Y956 HydrophobicContact CG-CD1 4.31Å; K833-Y956 HydrophobicContact CG-CE1 3.82Å
834	E	98.3	Very high	97.7	Very high	12 Å²	12	35.2 Å²	35.2	6%	0.056	17%	0.169	C	C	.	.	H	α-helix	trans	-60.6	-47.5	168.7	-64.6	-165.8	172.7	0	0	111.2	H796 W829 T830 L831 Q836 F837 F838 V926 L937	H796-E834 IonicContact CD2-OE1 3.95Å; H796-E834 IonicContact CE1-OE1 2.71Å; H796-E834 PolarHBondContact CE1-OE1 3.43Å; H796-E834 IonicContact CE1-OE2 3.27Å; H796-E834 PolarHBondContact CE1-OE2 3.16Å; H796-E834 VanDerWaalsContact NE2-CD 3.3Å; H796-E834 IonicContact NE2-OE1 3.71Å; H796-E834 PolarHBondContact NE2-OE1 2.76Å; H796-E834 IonicContact NE2-OE2 2.68Å; H796-E834 PolarHBondContact NE2-OE2 3.34Å; W829-E834 HydrophobicContact CB-CG 4.23Å; W829-E834 HydrophobicContact CE3-CG 4.39Å; T830-E834 PolarHBondContact O-N 3.45Å; L831-E834 PolarHBondContact O-N 2.87Å; E834-Q836 VanDerWaalsContact C-N 3.29Å; E834-Q836 PolarHBondContact O-N 2.95Å; E834-F837 WeakPolarHBondContact O-CB 3.28Å; E834-F837 PolarHBondContact O-N 2.89Å; E834-F838 WeakPolarHBondContact O-CD2 3.14Å; E834-F838 PolarHBondContact O-N 3Å; E834-V926 HydrophobicContact CB-CG2 4.06Å; E834-L937 HydrophobicContact CB-CD2 4.4Å; E834-L937 VanDerWaalsContact CD-CD2 3.41Å; E834-L937 HydrophobicContact CG-CD2 3.69Å; E834-L937 WeakPolarHBondContact OE1-CD2 3.31Å
835	L	98.4	Very high	97.6	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.026	16%	0.158	C	C	.	.	H	α-helix	trans	-65.9	-31.4	179.6	-172.8	55.4	0	0	0	112.7	L831 E832 Q839 K904 I921 P922 F925 V926	L831-L835 WeakPolarHBondContact O-CB 3.44Å; L831-L835 PolarHBondContact O-N 3.06Å; E832-L835 PolarHBondContact O-N 3.1Å; L835-Q839 PolarHBondContact O-N 2.97Å; L835-K904 HydrophobicContact CD1-CD 4.11Å; L835-K904 HydrophobicContact CD2-CD 4.08Å; L835-K904 HydrophobicContact CD2-CG 4.41Å; L835-K904 HydrophobicContact CG-CD 3.88Å; L835-I921 HydrophobicContact CD2-CG2 4.25Å; L835-P922 HydrophobicContact CD2-CB 3.71Å; L835-F925 HydrophobicContact CD1-CD1 3.6Å; L835-F925 HydrophobicContact CD1-CE1 3.76Å; L835-F925 HydrophobicContact CD2-CD1 3.96Å; L835-F925 HydrophobicContact CG-CD1 4.47Å; L835-V926 HydrophobicContact CB-CB 4.03Å; L835-V926 HydrophobicContact CB-CG2 4.2Å; L835-V926 HydrophobicContact CD1-CB 4.25Å; L835-V926 HydrophobicContact CD1-CG2 4.44Å
836	Q	98.4	Very high	97.3	Very high	62 Å²	62	35.2 Å²	35.2	29%	0.29	17%	0.17	S	C	.	.	H	α-helix	trans	-74.4	-39.3	173.7	-164.3	56.7	36.6	0	0	111.8	E832 K833 E834 F838 Q839 D840 Y956	E832-Q836 WeakPolarHBondContact O-CB 3.35Å; E832-Q836 PolarHBondContact O-N 3.14Å; K833-Q836 PolarHBondContact O-N 3.43Å; E834-Q836 VanDerWaalsContact C-N 3.29Å; E834-Q836 PolarHBondContact O-N 2.95Å; Q836-F838 PolarHBondContact O-N 3.43Å; Q836-Q839 WeakPolarHBondContact O-CB 3.47Å; Q836-Q839 PolarHBondContact O-N 2.98Å; Q836-Q839 VanDerWaalsContact O-N 3.14Å; Q836-D840 PolarHBondContact NE2-OD1 3.39Å; Q836-D840 VanDerWaalsContact O-CG 3.27Å; Q836-D840 PolarHBondContact O-N 2.98Å; Q836-Y956 WeakPolarHBondContact CG-OH 3.43Å
837	F	98.5	Very high	96.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-57.8	-47.1	172.8	177.5	-108.4	0	0	0	111.9	W829 K833 E834 Q839 D840 V841 L937 T940 M944 F953 Y956 Y957	W829-F837 HydrophobicContact CE3-CB 4.24Å; W829-F837 HydrophobicContact CH2-CB 4.21Å; W829-F837 HydrophobicContact CH2-CD1 4.24Å; W829-F837 AromaticContact CH2-CD2 3.83Å; W829-F837 HydrophobicContact CH2-CD2 3.83Å; W829-F837 HydrophobicContact CH2-CE2 4.25Å; W829-F837 AromaticContact CH2-CG 3.83Å; W829-F837 HydrophobicContact CH2-CG 3.83Å; W829-F837 HydrophobicContact CZ3-CB 3.5Å; W829-F837 VanDerWaalsContact CZ3-CB 3.5Å; W829-F837 AromaticContact CZ3-CD1 3.79Å; W829-F837 HydrophobicContact CZ3-CD1 3.79Å; W829-F837 AromaticContact CZ3-CD2 3.96Å; W829-F837 HydrophobicContact CZ3-CD2 3.96Å; W829-F837 AromaticContact CZ3-CG 3.47Å; W829-F837 HydrophobicContact CZ3-CG 3.47Å; W829-F837 VanDerWaalsContact CZ3-CG 3.47Å; K833-F837 WeakPolarHBondContact O-CB 3.35Å; K833-F837 PolarHBondContact O-N 3.13Å; E834-F837 WeakPolarHBondContact O-CB 3.28Å; E834-F837 PolarHBondContact O-N 2.89Å; F837-Q839 VanDerWaalsContact C-N 3.28Å; F837-Q839 PolarHBondContact O-N 3.23Å; F837-D840 PolarHBondContact O-N 2.93Å; F837-V841 HydrophobicContact CD1-CG2 4.33Å; F837-V841 HydrophobicContact CD2-CG2 4.06Å; F837-V841 HydrophobicContact CE1-CG2 3.94Å; F837-V841 HydrophobicContact CE2-CG2 3.64Å; F837-V841 HydrophobicContact CG-CG2 4.38Å; F837-V841 HydrophobicContact CZ-CG2 3.56Å; F837-V841 WeakPolarHBondContact O-CB 3.39Å; F837-V841 VanDerWaalsContact O-CG2 3.28Å; F837-V841 WeakPolarHBondContact O-CG2 3.41Å; F837-V841 PolarHBondContact O-N 2.68Å; F837-L937 HydrophobicContact CD1-CD1 3.54Å; F837-L937 HydrophobicContact CE1-CD1 3.93Å; F837-T940 HydrophobicContact CE1-CG2 3.73Å; F837-T940 HydrophobicContact CZ-CG2 4.16Å; F837-M944 HydrophobicContact CZ-CB 4.32Å; F837-F953 HydrophobicContact CE2-CD1 4.24Å; F837-F953 HydrophobicContact CE2-CE1 4.24Å; F837-Y956 HydrophobicContact CB-CD1 3.97Å; F837-Y956 HydrophobicContact CB-CE1 3.6Å; F837-Y956 AromaticContact CD2-CD1 3.83Å; F837-Y956 HydrophobicContact CD2-CD1 3.83Å; F837-Y956 AromaticContact CD2-CD2 3.78Å; F837-Y956 HydrophobicContact CD2-CD2 3.78Å; F837-Y956 HydrophobicContact CD2-CE1 4.13Å; F837-Y956 HydrophobicContact CD2-CE2 4.08Å; F837-Y956 AromaticContact CD2-CG 3.66Å; F837-Y956 HydrophobicContact CD2-CG 3.66Å; F837-Y956 HydrophobicContact CE2-CD2 4.44Å; F837-Y956 HydrophobicContact CE2-CG 4.33Å; F837-Y956 HydrophobicContact CG-CD1 4.27Å; F837-Y956 HydrophobicContact CG-CE1 4.34Å; F837-Y956 PolarHBondContact N-OH 2.92Å; F837-Y957 HydrophobicContact CE2-CE2 4.29Å
838	F	98.5	Very high	96.4	Very high	3 Å²	3	45.1 Å²	45.1	1%	0.013	21%	0.214	C	C	.	.	H	α-helix	trans	-61.7	-35.1	176.6	-70.4	-51.1	0	0	0	113	E834 Q836 S842 L897 M900 V926 T930 L936 L937	E834-F838 WeakPolarHBondContact O-CD2 3.14Å; E834-F838 PolarHBondContact O-N 3Å; Q836-F838 PolarHBondContact O-N 3.43Å; F838-S842 WeakPolarHBondContact O-CB 3.38Å; F838-S842 PolarHBondContact O-N 2.99Å; F838-L897 HydrophobicContact CB-CD2 4.32Å; F838-L897 HydrophobicContact CD1-CD2 3.43Å; F838-L897 VanDerWaalsContact CD1-CD2 3.43Å; F838-L897 HydrophobicContact CE1-CD2 3.99Å; F838-L897 HydrophobicContact CG-CD2 4.16Å; F838-M900 HydrophobicContact CB-CE 4.09Å; F838-M900 HydrophobicContact CD1-CE 4.38Å; F838-M900 HydrophobicContact CD2-CE 3.62Å; F838-M900 HydrophobicContact CE2-CE 4.02Å; F838-M900 HydrophobicContact CG-CE 3.8Å; F838-V926 HydrophobicContact CD2-CG2 3.99Å; F838-V926 HydrophobicContact CE2-CG2 3.9Å; F838-T930 HydrophobicContact CE2-CG2 4.1Å; F838-T930 HydrophobicContact CZ-CG2 4.4Å; F838-L936 HydrophobicContact CE1-CD2 4.24Å; F838-L936 HydrophobicContact CE1-CG 3.86Å; F838-L936 HydrophobicContact CZ-CD2 4.24Å; F838-L936 HydrophobicContact CZ-CG 4.07Å; F838-L937 HydrophobicContact CE1-CB 4.3Å; F838-L937 HydrophobicContact CE1-CD1 4.04Å; F838-L937 HydrophobicContact CE2-CD1 4.36Å; F838-L937 HydrophobicContact CZ-CB 3.71Å; F838-L937 HydrophobicContact CZ-CD1 3.86Å; F838-L937 HydrophobicContact CZ-CG 4.36Å
839	Q	97.9	Very high	96.1	Very high	52 Å²	52	48.1 Å²	48.1	24%	0.243	24%	0.235	C	C	.	.	H	α-helix	trans	-66.4	-53.5	172.5	175.7	177.6	-24.7	0	0	111.3	L835 Q836 F837 V841 S842 D843 R901	L835-Q839 PolarHBondContact O-N 2.97Å; Q836-Q839 WeakPolarHBondContact O-CB 3.47Å; Q836-Q839 PolarHBondContact O-N 2.98Å; Q836-Q839 VanDerWaalsContact O-N 3.14Å; F837-Q839 VanDerWaalsContact C-N 3.28Å; F837-Q839 PolarHBondContact O-N 3.23Å; Q839-V841 VanDerWaalsContact C-N 3.28Å; Q839-V841 PolarHBondContact O-N 2.77Å; Q839-S842 CarbonylContact O-C 3.57Å; Q839-S842 WeakPolarHBondContact O-CA 3.32Å; Q839-S842 WeakPolarHBondContact O-CB 3.47Å; Q839-S842 PolarHBondContact O-N 2.63Å; Q839-D843 WeakPolarHBondContact CG-OD2 3.42Å; Q839-D843 PolarHBondContact O-N 3.2Å; Q839-R901 HydrophobicContact CG-CG 4.29Å
840	D	97.7	Very high	95.7	Very high	33 Å²	33	52.2 Å²	52.2	18%	0.176	26%	0.258	C	S	.	.	H	α-helix	trans	-61	-38.4	-175.7	-65.4	-10.5	0	0	0	111.2	Q836 F837 R844 F953 Y956	Q836-D840 PolarHBondContact NE2-OD1 3.39Å; Q836-D840 VanDerWaalsContact O-CG 3.27Å; Q836-D840 PolarHBondContact O-N 2.98Å; F837-D840 PolarHBondContact O-N 2.93Å; D840-R844 VanDerWaalsContact O-CB 3.25Å; D840-R844 WeakPolarHBondContact O-CB 3.38Å; D840-R844 PolarHBondContact O-N 3.42Å; D840-F953 HydrophobicContact CB-CE1 4.31Å; D840-Y956 HydrophobicContact CB-CE2 4.48Å; D840-Y956 WeakPolarHBondContact OD2-CE2 3.28Å; D840-Y956 PolarHBondContact OD2-OH 3.48Å
841	V	97.8	Very high	95.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.1	-48	170.4	172.9	0	0	0	0	111.3	F837 Q839 D843 R844 I845 L897 T940 M944 F953	F837-V841 HydrophobicContact CD1-CG2 4.33Å; F837-V841 HydrophobicContact CD2-CG2 4.06Å; F837-V841 HydrophobicContact CE1-CG2 3.94Å; F837-V841 HydrophobicContact CE2-CG2 3.64Å; F837-V841 HydrophobicContact CG-CG2 4.38Å; F837-V841 HydrophobicContact CZ-CG2 3.56Å; F837-V841 WeakPolarHBondContact O-CB 3.39Å; F837-V841 VanDerWaalsContact O-CG2 3.28Å; F837-V841 WeakPolarHBondContact O-CG2 3.41Å; F837-V841 PolarHBondContact O-N 2.68Å; Q839-V841 VanDerWaalsContact C-N 3.28Å; Q839-V841 PolarHBondContact O-N 2.77Å; V841-D843 VanDerWaalsContact C-N 3.31Å; V841-D843 PolarHBondContact O-N 2.99Å; V841-R844 PolarHBondContact O-N 3.36Å; V841-I845 HydrophobicContact CG1-CD1 4.28Å; V841-I845 HydrophobicContact CG1-CG2 4.42Å; V841-I845 WeakPolarHBondContact O-CG1 3.43Å; V841-I845 WeakPolarHBondContact O-CG2 3.49Å; V841-I845 PolarHBondContact O-N 3.02Å; V841-L897 HydrophobicContact CG1-CD1 3.77Å; V841-T940 HydrophobicContact CB-CG2 4.26Å; V841-T940 HydrophobicContact CG1-CG2 3.75Å; V841-T940 HydrophobicContact CG2-CG2 4.03Å; V841-M944 HydrophobicContact CB-CE 4.49Å; V841-M944 HydrophobicContact CB-CG 4.41Å; V841-M944 HydrophobicContact CG1-CE 4.04Å; V841-M944 HydrophobicContact CG1-CG 3.73Å; V841-M944 HydrophobicContact CG1-SD 3.86Å; V841-M944 HydrophobicContact CG2-CB 4.31Å; V841-M944 HydrophobicContact CG2-CE 4.22Å; V841-M944 HydrophobicContact CG2-CG 3.75Å; V841-F953 HydrophobicContact CG2-CE1 3.72Å; V841-F953 HydrophobicContact CG2-CZ 4.21Å
842	S	97.8	Very high	95.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.7	-37.1	179	-173.1	0	0	0	0	112.6	F838 Q839 E846 R898 R901	F838-S842 WeakPolarHBondContact O-CB 3.38Å; F838-S842 PolarHBondContact O-N 2.99Å; Q839-S842 CarbonylContact O-C 3.57Å; Q839-S842 WeakPolarHBondContact O-CA 3.32Å; Q839-S842 WeakPolarHBondContact O-CB 3.47Å; Q839-S842 PolarHBondContact O-N 2.63Å; S842-E846 PolarHBondContact O-N 3.09Å; S842-E846 VanDerWaalsContact O-N 3.11Å; S842-R898 WeakPolarHBondContact OG-CA 3.48Å; S842-R901 WeakPolarHBondContact OG-CB 3.17Å; S842-R901 WeakPolarHBondContact OG-CD 3.27Å
843	D	96.4	Very high	94.9	Very high	58 Å²	58	49.5 Å²	49.5	31%	0.31	25%	0.251	S	S	.	.	H	α-helix	trans	-66.9	-41.5	174.6	-79.5	-39.1	0	0	0	111	Q839 V841 R901	Q839-D843 WeakPolarHBondContact CG-OD2 3.42Å; Q839-D843 PolarHBondContact O-N 3.2Å; V841-D843 VanDerWaalsContact C-N 3.31Å; V841-D843 PolarHBondContact O-N 2.99Å; D843-R901 IonicContact OD1-CZ 3.49Å; D843-R901 IonicContact OD1-NE 2.72Å; D843-R901 PolarHBondContact OD1-NE 3.45Å; D843-R901 IonicContact OD1-NH2 2.69Å; D843-R901 PolarHBondContact OD1-NH2 3.24Å
844	R	95.3	Very high	94.7	Very high	62 Å²	62	47.7 Å²	47.7	23%	0.234	24%	0.244	C	C	.	.	H	α-helix	trans	-64.3	-38.8	177.8	179.4	61	-176.9	83.5	-2.2	113.5	D840 V841 E848 I854 M944 E950 F953	D840-R844 VanDerWaalsContact O-CB 3.25Å; D840-R844 WeakPolarHBondContact O-CB 3.38Å; D840-R844 PolarHBondContact O-N 3.42Å; V841-R844 PolarHBondContact O-N 3.36Å; R844-E848 IonicContact CZ-OE1 3.94Å; R844-E848 IonicContact NH1-OE1 3.96Å; R844-E848 PolarHBondContact NH1-OE1 3.39Å; R844-E848 IonicContact NH2-OE1 2.7Å; R844-I854 VanDerWaalsContact NH2-CD1 3.31Å; R844-M944 HydrophobicContact CB-CE 4.31Å; R844-M944 HydrophobicContact CG-CE 3.9Å; R844-E950 VanDerWaalsContact CD-OE2 3.25Å; R844-E950 WeakPolarHBondContact CD-OE2 3.12Å; R844-E950 IonicContact CZ-OE1 2.68Å; R844-E950 VanDerWaalsContact CZ-OE1 3.32Å; R844-E950 IonicContact CZ-OE2 3.77Å; R844-E950 VanDerWaalsContact NE-CD 3.28Å; R844-E950 IonicContact NE-OE1 2.61Å; R844-E950 PolarHBondContact NE-OE1 3.34Å; R844-E950 IonicContact NE-OE2 3.62Å; R844-E950 PolarHBondContact NE-OE2 2.93Å; R844-E950 IonicContact NH2-OE1 3.42Å; R844-E950 PolarHBondContact NH2-OE1 3.11Å; R844-E950 IonicContact NH2-OE2 3.49Å; R844-F953 HydrophobicContact CB-CE2 3.91Å; R844-F953 HydrophobicContact CB-CZ 3.78Å; R844-F953 HydrophobicContact CG-CE2 3.74Å; R844-F953 HydrophobicContact CG-CZ 4.03Å
845	I	95.1	Very high	94.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-91.5	-11.6	-177	71.9	-171.7	0	0	0	114	V841 K847 E848 I854 L858 R894 L897 M944	V841-I845 HydrophobicContact CG1-CD1 4.28Å; V841-I845 HydrophobicContact CG1-CG2 4.42Å; V841-I845 WeakPolarHBondContact O-CG1 3.43Å; V841-I845 WeakPolarHBondContact O-CG2 3.49Å; V841-I845 PolarHBondContact O-N 3.02Å; I845-K847 PolarHBondContact O-N 2.84Å; I845-E848 PolarHBondContact O-N 3.41Å; I845-E848 VanDerWaalsContact O-N 3.16Å; I845-I854 HydrophobicContact CG2-CG2 4.01Å; I845-L858 HydrophobicContact CD1-CD2 3.49Å; I845-L858 VanDerWaalsContact CD1-CD2 3.49Å; I845-L858 HydrophobicContact CG2-CD2 4.46Å; I845-R894 HydrophobicContact CD1-CB 4.01Å; I845-R894 HydrophobicContact CD1-CG 3.76Å; I845-R894 HydrophobicContact CG1-CG 4.12Å; I845-R894 PolarHBondContact O-NE 3.36Å; I845-R894 PolarHBondContact O-NH2 2.83Å; I845-L897 HydrophobicContact CD1-CD1 4.32Å; I845-M944 HydrophobicContact CG2-CE 4.21Å; I845-M944 HydrophobicContact CG2-SD 4.13Å
846	E	91.6	Very high	94.4	Very high	62 Å²	62	54.2 Å²	54.2	29%	0.29	27%	0.268	S	S	.	.	H	α-helix	trans	-55.8	-41	179.5	-173.1	64.5	-164.3	0	0	111.3	S842 R894 R898	S842-E846 PolarHBondContact O-N 3.09Å; S842-E846 VanDerWaalsContact O-N 3.11Å; E846-R894 PolarHBondContact O-NH2 3.16Å; E846-R898 IonicContact OE1-CZ 2.94Å; E846-R898 IonicContact OE1-NE 2.68Å; E846-R898 IonicContact OE1-NH2 3.08Å; E846-R898 PolarHBondContact OE1-NH2 3.5Å; E846-R898 WeakPolarHBondContact OE2-CD 3.28Å; E846-R898 WeakPolarHBondContact OE2-CG 3.47Å; E846-R898 IonicContact OE2-CZ 3.14Å; E846-R898 IonicContact OE2-NE 3.24Å; E846-R898 PolarHBondContact OE2-NE 3.04Å; E846-R898 IonicContact OE2-NH2 3.18Å; E846-R898 PolarHBondContact OE2-NH2 2.71Å
847	K	86.8	Confident	94.2	Very high	196 Å²	196	54.9 Å²	54.9	85%	0.852	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-6.6	-178.5	-61.2	-179.6	-177.2	175.7	0	114.7	I845	I845-K847 PolarHBondContact O-N 2.84Å
848	E	91.2	Very high	94.1	Very high	36 Å²	36	54.9 Å²	54.9	17%	0.168	27%	0.271	C	S	.	.	S	Bend	trans	-75.2	142	-178.8	-78	-71.9	134.7	0	0	111.8	R844 I845 I854 V855 R894	R844-E848 IonicContact CZ-OE1 3.94Å; R844-E848 IonicContact NH1-OE1 3.96Å; R844-E848 PolarHBondContact NH1-OE1 3.39Å; R844-E848 IonicContact NH2-OE1 2.7Å; I845-E848 PolarHBondContact O-N 3.41Å; I845-E848 VanDerWaalsContact O-N 3.16Å; E848-I854 HydrophobicContact CG-CD1 4.46Å; E848-V855 HydrophobicContact CB-CG2 3.52Å; E848-V855 HydrophobicContact CG-CG2 4.34Å; E848-R894 VanDerWaalsContact O-CZ 3.26Å; E848-R894 PolarHBondContact O-NH1 3.09Å; E848-R894 PolarHBondContact O-NH2 3.41Å
849	P	91.8	Very high	94.1	Very high	82 Å²	82	57.3 Å²	57.3	53%	0.532	28%	0.282	S	S	.	.			trans	-64.5	151.4	169.6	27.5	-32.4	0	0	0	110.9	D851 G852 V855	P849-D851 PolarHBondContact O-N 3.33Å; P849-G852 PolarHBondContact O-N 3.23Å; P849-V855 WeakPolarHBondContact O-CG2 3.49Å
850	L	87.8	Confident	94	Very high	107 Å²	107	63.8 Å²	63.8	56%	0.56	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-32.5	179.3	-68.5	171.8	0	0	0	112.5	G852	L850-G852 VanDerWaalsContact C-N 3.33Å
851	D	89.2	Confident	93.8	Very high	107 Å²	107	64.9 Å²	64.9	57%	0.572	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	5.1	175.1	-75.2	-71.9	0	0	0	114.3	P849 R856	P849-D851 PolarHBondContact O-N 3.33Å; D851-R856 VanDerWaalsContact O-CD 3.3Å; D851-R856 WeakPolarHBondContact O-CD 3.33Å; D851-R856 VanDerWaalsContact O-CZ 3.32Å; D851-R856 PolarHBondContact O-NE 2.9Å; D851-R856 VanDerWaalsContact O-NE 3.13Å; D851-R856 IonicContact OD1-CZ 3.61Å; D851-R856 IonicContact OD1-NE 3.78Å; D851-R856 PolarHBondContact OD1-NE 3.15Å; D851-R856 IonicContact OD1-NH2 2.74Å; D851-R856 PolarHBondContact OD1-NH2 2.77Å
852	G	92.6	Very high	93.7	Very high	3 Å²	3	64.9 Å²	64.9	3%	0.031	32%	0.323	C	S	.	.	S	Bend	trans	-63.6	147.5	176	0	0	0	0	0	111.9	P849 L850 I854 V855 R856	P849-G852 PolarHBondContact O-N 3.23Å; L850-G852 VanDerWaalsContact C-N 3.33Å; G852-I854 PolarHBondContact O-N 3.15Å; G852-V855 PolarHBondContact O-N 3.24Å; G852-R856 WeakPolarHBondContact O-CB 3.21Å; G852-R856 WeakPolarHBondContact O-CG 3.19Å; G852-R856 PolarHBondContact O-N 2.91Å
853	P	93.3	Very high	93.7	Very high	104 Å²	104	73.9 Å²	73.9	68%	0.675	36%	0.357	S	S	*	.	H	α-helix	trans	-60.7	-34.7	-176.1	24.5	-33.6	0	0	0	112.5	Q857	P853-Q857 VanDerWaalsContact O-CB 3.3Å; P853-Q857 WeakPolarHBondContact O-CB 3.45Å; P853-Q857 PolarHBondContact O-N 3.48Å
854	I	94.1	Very high	93.6	Very high	17 Å²	17	74.8 Å²	74.8	9%	0.087	37%	0.373	C	S	.	.	H	α-helix	trans	-65.1	-48.5	177.1	-62.3	165	0	0	0	110.4	R844 I845 E848 G852 Q857 L858 M944	R844-I854 VanDerWaalsContact NH2-CD1 3.31Å; I845-I854 HydrophobicContact CG2-CG2 4.01Å; E848-I854 HydrophobicContact CG-CD1 4.46Å; G852-I854 PolarHBondContact O-N 3.15Å; I854-Q857 PolarHBondContact O-N 3.07Å; I854-L858 WeakPolarHBondContact O-CB 3.48Å; I854-L858 PolarHBondContact O-N 3.3Å; I854-M944 HydrophobicContact CG2-CE 4.09Å; I854-M944 HydrophobicContact CG2-SD 3.6Å
855	V	95.3	Very high	93.7	Very high	3 Å²	3	72.4 Å²	72.4	2%	0.018	37%	0.365	C	S	.	.	H	α-helix	trans	-69.9	-40.6	-178.5	-178.8	0	0	0	0	111.1	E848 P849 G852 Q857 L858 E859	E848-V855 HydrophobicContact CB-CG2 3.52Å; E848-V855 HydrophobicContact CG-CG2 4.34Å; P849-V855 WeakPolarHBondContact O-CG2 3.49Å; G852-V855 PolarHBondContact O-N 3.24Å; V855-Q857 VanDerWaalsContact C-N 3.31Å; V855-Q857 PolarHBondContact O-N 3.44Å; V855-L858 PolarHBondContact O-N 2.56Å; V855-E859 HydrophobicContact CG1-CG 4.34Å; V855-E859 WeakPolarHBondContact O-CG 3.5Å; V855-E859 PolarHBondContact O-N 3.14Å
856	R	95	Very high	93.8	Very high	151 Å²	151	72.4 Å²	72.4	57%	0.57	37%	0.365	S	S	*	.	H	α-helix	trans	-60.4	-39.4	173.2	-75	177.5	169.6	173.7	-2.4	112.2	D851 G852 R860	D851-R856 VanDerWaalsContact O-CD 3.3Å; D851-R856 WeakPolarHBondContact O-CD 3.33Å; D851-R856 VanDerWaalsContact O-CZ 3.32Å; D851-R856 PolarHBondContact O-NE 2.9Å; D851-R856 VanDerWaalsContact O-NE 3.13Å; D851-R856 IonicContact OD1-CZ 3.61Å; D851-R856 IonicContact OD1-NE 3.78Å; D851-R856 PolarHBondContact OD1-NE 3.15Å; D851-R856 IonicContact OD1-NH2 2.74Å; D851-R856 PolarHBondContact OD1-NH2 2.77Å; G852-R856 WeakPolarHBondContact O-CB 3.21Å; G852-R856 WeakPolarHBondContact O-CG 3.19Å; G852-R856 PolarHBondContact O-N 2.91Å; R856-R860 WeakPolarHBondContact O-CB 3.14Å; R856-R860 PolarHBondContact O-N 2.85Å; R856-R860 VanDerWaalsContact O-N 3.15Å
857	Q	95.1	Very high	94.1	Very high	77 Å²	77	73.9 Å²	73.9	36%	0.36	37%	0.371	S	S	.	.	H	α-helix	trans	-71.5	-35	175.3	-177.9	59.8	23.8	0	0	112.3	P853 I854 V855 A943	P853-Q857 VanDerWaalsContact O-CB 3.3Å; P853-Q857 WeakPolarHBondContact O-CB 3.45Å; P853-Q857 PolarHBondContact O-N 3.48Å; I854-Q857 PolarHBondContact O-N 3.07Å; V855-Q857 VanDerWaalsContact C-N 3.31Å; V855-Q857 PolarHBondContact O-N 3.44Å; Q857-A943 HydrophobicContact CG-CB 4.15Å
858	L	96.6	Very high	94.5	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-70.9	-31.9	176.3	-174.9	65.2	0	0	0	113.3	I845 I854 V855 V893 R894 L897 H939 T940 A943	I845-L858 HydrophobicContact CD1-CD2 3.49Å; I845-L858 VanDerWaalsContact CD1-CD2 3.49Å; I845-L858 HydrophobicContact CG2-CD2 4.46Å; I854-L858 WeakPolarHBondContact O-CB 3.48Å; I854-L858 PolarHBondContact O-N 3.3Å; V855-L858 PolarHBondContact O-N 2.56Å; L858-V893 HydrophobicContact CD1-CG1 3.78Å; L858-V893 HydrophobicContact CD2-CG1 4.43Å; L858-V893 HydrophobicContact CG-CB 4.28Å; L858-V893 HydrophobicContact CG-CG1 3.93Å; L858-R894 HydrophobicContact CD2-CB 4.35Å; L858-L897 HydrophobicContact CD2-CD1 4.27Å; L858-H939 PolarHBondContact O-NE2 3.02Å; L858-T940 HydrophobicContact CD1-CG2 4.15Å; L858-A943 HydrophobicContact CB-CB 4.34Å; L858-A943 HydrophobicContact CD1-CB 3.95Å
859	E	97.3	Very high	94.8	Very high	53 Å²	53	65.4 Å²	65.4	25%	0.248	34%	0.342	C	S	.	.	H	α-helix	trans	-89.9	-10.9	177.3	-61	-63.8	177.8	0	0	113.4	V855 G861 G862 S892 V893 R894	V855-E859 HydrophobicContact CG1-CG 4.34Å; V855-E859 WeakPolarHBondContact O-CG 3.5Å; V855-E859 PolarHBondContact O-N 3.14Å; E859-G861 PolarHBondContact O-N 2.95Å; E859-G862 PolarHBondContact O-N 3.18Å; E859-S892 WeakPolarHBondContact OE1-CB 3.39Å; E859-S892 PolarHBondContact OE1-OG 2.94Å; E859-S892 WeakPolarHBondContact OE2-CA 3.43Å; E859-V893 PolarHBondContact OE1-N 2.98Å; E859-V893 VanDerWaalsContact OE1-N 3.14Å; E859-V893 PolarHBondContact OE2-N 2.86Å; E859-R894 VanDerWaalsContact OE1-CB 3.3Å; E859-R894 WeakPolarHBondContact OE1-CB 2.95Å; E859-R894 PolarHBondContact OE1-N 3.02Å
860	R	96	Very high	95	Very high	189 Å²	189	61.6 Å²	61.6	71%	0.713	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	102.8	178	-178.5	-179.6	178.5	174.6	0.9	111.1	R856 G862 H939	R856-R860 WeakPolarHBondContact O-CB 3.14Å; R856-R860 PolarHBondContact O-N 2.85Å; R856-R860 VanDerWaalsContact O-N 3.15Å; R860-G862 VanDerWaalsContact C-N 3.26Å; R860-H939 PolarHBondContact O-CE1 3.48Å
861	G	94.9	Very high	95.4	Very high	55 Å²	55	61.1 Å²	61.1	57%	0.567	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	-3.3	-174.1	0	0	0	0	0	114.1	E859 R863 A864	E859-G861 PolarHBondContact O-N 2.95Å; G861-R863 PolarHBondContact O-N 3.06Å; G861-A864 PolarHBondContact O-N 3.37Å
862	G	95.5	Very high	95.7	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-55.9	-27.8	-176.2	0	0	0	0	0	114.4	E859 R860 A864 V865 V866 V893	E859-G862 PolarHBondContact O-N 3.18Å; R860-G862 VanDerWaalsContact C-N 3.26Å; G862-A864 PolarHBondContact O-N 3.38Å; G862-V865 WeakPolarHBondContact O-CB 3.22Å; G862-V865 PolarHBondContact O-N 2.9Å; G862-V866 WeakPolarHBondContact O-CG2 3.48Å; G862-V866 PolarHBondContact O-N 2.9Å; G862-V893 VanDerWaalsContact CA-CG2 3.48Å
863	R	96	Very high	95.9	Very high	190 Å²	190	66.4 Å²	66.4	72%	0.717	33%	0.328	S	S	*	.	H	α-helix	trans	-56.7	-32.6	176	-168.4	174.5	-175.7	-118.3	-2.1	113.5	G861 K867 G868	G861-R863 PolarHBondContact O-N 3.06Å; R863-K867 PolarHBondContact O-N 2.89Å; R863-G868 PolarHBondContact O-N 3.36Å
864	A	96.2	Very high	96	Very high	77 Å²	77	62.3 Å²	62.3	64%	0.636	30%	0.3	S	S	*	.	H	α-helix	trans	-73.9	-43.2	174.5	0	0	0	0	0	111.4	G861 G862 V866 K867	G861-A864 PolarHBondContact O-N 3.37Å; G862-A864 PolarHBondContact O-N 3.38Å; A864-V866 VanDerWaalsContact C-N 3.32Å; A864-V866 PolarHBondContact O-N 3.22Å; A864-K867 PolarHBondContact O-N 2.95Å
865	V	97.1	Very high	96.2	Very high	11 Å²	11	62.9 Å²	62.9	7%	0.067	31%	0.305	C	S	.	.	H	α-helix	trans	-60	-40.5	179.7	-176.9	0	0	0	0	111.9	G862 K867 V893 H935 L936 H939	G862-V865 WeakPolarHBondContact O-CB 3.22Å; G862-V865 PolarHBondContact O-N 2.9Å; V865-K867 VanDerWaalsContact C-N 3.29Å; V865-K867 PolarHBondContact O-N 3.36Å; V865-V893 HydrophobicContact CB-CG2 4.41Å; V865-H935 HydrophobicContact CG1-CB 4.28Å; V865-H935 HydrophobicContact CG2-CB 4.27Å; V865-L936 HydrophobicContact CG1-CB 4.19Å; V865-L936 HydrophobicContact CG1-CD1 4.04Å; V865-H939 HydrophobicContact CG1-CB 4.34Å; V865-H939 HydrophobicContact CG2-CB 3.91Å
866	V	97.6	Very high	96.2	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	5.5	176.4	-55.1	0	0	0	0	114	G862 A864 G868 D869 W870 V893 L896	G862-V866 WeakPolarHBondContact O-CG2 3.48Å; G862-V866 PolarHBondContact O-N 2.9Å; A864-V866 VanDerWaalsContact C-N 3.32Å; A864-V866 PolarHBondContact O-N 3.22Å; V866-G868 VanDerWaalsContact C-N 3.32Å; V866-G868 PolarHBondContact O-N 2.68Å; V866-D869 CarbonylContact O-C 3.56Å; V866-W870 HydrophobicContact CB-CB 4Å; V866-W870 HydrophobicContact CB-CG 4.41Å; V866-W870 WeakPolarHBondContact O-CA 3.44Å; V866-W870 PolarHBondContact O-N 3.27Å; V866-W870 VanDerWaalsContact O-N 3.11Å; V866-V893 HydrophobicContact CG1-CG2 3.81Å; V866-L896 HydrophobicContact CG1-CD2 4.23Å
867	K	96.6	Very high	96.2	Very high	94 Å²	94	62 Å²	62	41%	0.409	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	44.3	-177.5	-63.1	177.4	172	171.3	0	113.3	R863 A864 V865 D869 H873 R932	R863-K867 PolarHBondContact O-N 2.89Å; A864-K867 PolarHBondContact O-N 2.95Å; V865-K867 VanDerWaalsContact C-N 3.29Å; V865-K867 PolarHBondContact O-N 3.36Å; K867-D869 PolarHBondContact O-N 3.43Å; K867-H873 PolarHBondContact O-CE1 2.81Å; K867-R932 WeakPolarHBondContact CE-O 3.37Å; K867-R932 PolarHBondContact NZ-O 2.95Å
868	G	96.1	Very high	96.2	Very high	28 Å²	28	58.4 Å²	58.4	29%	0.289	30%	0.3	S	S	.	.	S	Bend	trans	81	-59.9	-179	0	0	0	0	0	113.3	R863 V866	R863-G868 PolarHBondContact O-N 3.36Å; V866-G868 VanDerWaalsContact C-N 3.32Å; V866-G868 PolarHBondContact O-N 2.68Å
869	D	96.3	Very high	96	Very high	26 Å²	26	60.3 Å²	60.3	14%	0.139	31%	0.309	C	S	.	.			trans	-138.2	110.8	170.3	-164.7	-47.6	0	0	0	110.6	V866 K867 R871 E872 H873 G890	V866-D869 CarbonylContact O-C 3.56Å; K867-D869 PolarHBondContact O-N 3.43Å; D869-R871 PolarHBondContact O-N 3Å; D869-R871 VanDerWaalsContact O-N 3.16Å; D869-R871 WeakPolarHBondContact OD1-CA 3.48Å; D869-R871 WeakPolarHBondContact OD1-CB 3.39Å; D869-R871 VanDerWaalsContact OD1-CG 3.31Å; D869-R871 WeakPolarHBondContact OD1-CG 3.08Å; D869-R871 IonicContact OD1-CZ 2.79Å; D869-R871 PolarHBondContact OD1-N 3.3Å; D869-R871 IonicContact OD1-NE 2.79Å; D869-R871 PolarHBondContact OD1-NE 3.16Å; D869-R871 IonicContact OD1-NH2 3.86Å; D869-R871 IonicContact OD2-CZ 2.7Å; D869-R871 VanDerWaalsContact OD2-CZ 3.31Å; D869-R871 IonicContact OD2-NE 2.68Å; D869-R871 PolarHBondContact OD2-NE 3.04Å; D869-R871 IonicContact OD2-NH2 2.66Å; D869-R871 PolarHBondContact OD2-NH2 3.43Å; D869-E872 HydrophobicContact CB-CG 4.21Å; D869-E872 PolarHBondContact O-N 2.77Å; D869-H873 PolarHBondContact O-ND1 2.92Å; D869-G890 WeakPolarHBondContact CA-O 3.31Å; D869-G890 VanDerWaalsContact OD1-CA 3.23Å; D869-G890 WeakPolarHBondContact OD1-CA 3.26Å
870	W	97.3	Very high	95.7	Very high	2 Å²	2	61 Å²	61	1%	0.008	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-65.8	-20.2	-178.2	58.9	-103.7	0	0	0	113	V866 E872 H873 I874 L882 Y888 K889 G890 S892 L896 A899 F933	V866-W870 HydrophobicContact CB-CB 4Å; V866-W870 HydrophobicContact CB-CG 4.41Å; V866-W870 WeakPolarHBondContact O-CA 3.44Å; V866-W870 PolarHBondContact O-N 3.27Å; V866-W870 VanDerWaalsContact O-N 3.11Å; W870-E872 PolarHBondContact O-N 3.31Å; W870-H873 PolarHBondContact O-N 2.96Å; W870-H873 VanDerWaalsContact O-N 3.15Å; W870-I874 HydrophobicContact CE3-CD1 4.24Å; W870-I874 HydrophobicContact CZ3-CD1 4.03Å; W870-L882 HydrophobicContact CH2-CD1 4.07Å; W870-L882 HydrophobicContact CZ3-CD1 3.73Å; W870-Y888 HydrophobicContact CH2-CG 4.27Å; W870-Y888 HydrophobicContact CZ2-CG 4.3Å; W870-K889 PolarHBondContact NE1-O 3.32Å; W870-K889 VanDerWaalsContact NE1-O 3.13Å; W870-G890 PolarHBondContact N-O 3.48Å; W870-S892 PolarHBondContact NE1-O 2.95Å; W870-L896 HydrophobicContact CB-CD1 4.3Å; W870-L896 HydrophobicContact CB-CD2 4.18Å; W870-L896 HydrophobicContact CD2-CB 4.18Å; W870-L896 HydrophobicContact CD2-CD1 3.78Å; W870-L896 HydrophobicContact CD2-CG 4.47Å; W870-L896 HydrophobicContact CE3-CD1 3.87Å; W870-L896 HydrophobicContact CG-CB 4.08Å; W870-L896 HydrophobicContact CG-CD1 3.99Å; W870-L896 HydrophobicContact CG-CD2 4.27Å; W870-L896 HydrophobicContact CG-CG 4.33Å; W870-L896 HydrophobicContact CZ3-CD1 4.41Å; W870-A899 HydrophobicContact CH2-CB 3.6Å; W870-A899 HydrophobicContact CZ2-CB 4.18Å; W870-A899 HydrophobicContact CZ3-CB 4.28Å; W870-F933 HydrophobicContact CB-CD1 4.48Å; W870-F933 HydrophobicContact CB-CE1 3.58Å; W870-F933 HydrophobicContact CB-CE2 4.33Å; W870-F933 HydrophobicContact CB-CZ 3.5Å; W870-F933 VanDerWaalsContact CB-CZ 3.5Å
871	R	95	Very high	95.5	Very high	97 Å²	97	52.2 Å²	52.2	37%	0.366	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-74.3	-16	-178.3	-50.7	168.1	-61.6	172	13	111.6	D869 I874 Q879 Y888 G890	D869-R871 PolarHBondContact O-N 3Å; D869-R871 VanDerWaalsContact O-N 3.16Å; D869-R871 WeakPolarHBondContact OD1-CA 3.48Å; D869-R871 WeakPolarHBondContact OD1-CB 3.39Å; D869-R871 VanDerWaalsContact OD1-CG 3.31Å; D869-R871 WeakPolarHBondContact OD1-CG 3.08Å; D869-R871 IonicContact OD1-CZ 2.79Å; D869-R871 PolarHBondContact OD1-N 3.3Å; D869-R871 IonicContact OD1-NE 2.79Å; D869-R871 PolarHBondContact OD1-NE 3.16Å; D869-R871 IonicContact OD1-NH2 3.86Å; D869-R871 IonicContact OD2-CZ 2.7Å; D869-R871 VanDerWaalsContact OD2-CZ 3.31Å; D869-R871 IonicContact OD2-NE 2.68Å; D869-R871 PolarHBondContact OD2-NE 3.04Å; D869-R871 IonicContact OD2-NH2 2.66Å; D869-R871 PolarHBondContact OD2-NH2 3.43Å; R871-I874 WeakPolarHBondContact O-CG1 3.3Å; R871-Q879 WeakPolarHBondContact O-CG 3.38Å; R871-Q879 PolarHBondContact O-NE2 2.72Å; R871-Y888 PolarHBondContact NH1-O 2.88Å; R871-G890 VanDerWaalsContact NE-CA 3.33Å
872	E	95.3	Very high	95.3	Very high	146 Å²	146	50.2 Å²	50.2	68%	0.682	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-88.9	-15.3	173.1	-60.2	-177.4	162.8	0	0	112.1	D869 W870	D869-E872 HydrophobicContact CB-CG 4.21Å; D869-E872 PolarHBondContact O-N 2.77Å; W870-E872 PolarHBondContact O-N 3.31Å
873	H	96.6	Very high	94.9	Very high	75 Å²	75	59 Å²	59	35%	0.347	29%	0.293	S	S	.	.	S	Bend	trans	-105.5	14.7	-174.3	-66.3	87.7	0	0	0	113.6	K867 D869 W870 R932 F933	K867-H873 PolarHBondContact O-CE1 2.81Å; D869-H873 PolarHBondContact O-ND1 2.92Å; W870-H873 PolarHBondContact O-N 2.96Å; W870-H873 VanDerWaalsContact O-N 3.15Å; H873-R932 WeakPolarHBondContact O-CD 3.42Å; H873-F933 HydrophobicContact CB-CE1 3.74Å; H873-F933 HydrophobicContact CB-CZ 3.71Å
874	I	96.7	Very high	94.1	Very high	17 Å²	17	55.8 Å²	55.8	9%	0.087	29%	0.285	C	S	.	.	S	Bend	trans	-117.7	162.8	177.1	53.2	166.6	0	0	0	111.2	W870 R871 L878 Q879 L882 Y928 F933	W870-I874 HydrophobicContact CE3-CD1 4.24Å; W870-I874 HydrophobicContact CZ3-CD1 4.03Å; R871-I874 WeakPolarHBondContact O-CG1 3.3Å; I874-L878 HydrophobicContact CB-CD2 4.24Å; I874-L878 HydrophobicContact CD1-CD2 4.22Å; I874-L878 HydrophobicContact CD1-CG 4.2Å; I874-L878 HydrophobicContact CG2-CD2 4.28Å; I874-Q879 HydrophobicContact CD1-CB 3.99Å; I874-Q879 HydrophobicContact CD1-CG 4.37Å; I874-Q879 HydrophobicContact CG1-CB 4.17Å; I874-L882 HydrophobicContact CD1-CD1 3.76Å; I874-Y928 WeakPolarHBondContact CB-OH 3.45Å; I874-Y928 HydrophobicContact CG2-CE1 4.32Å; I874-F933 HydrophobicContact CG2-CE2 4.07Å; I874-F933 HydrophobicContact CG2-CZ 4.21Å
875	T	97	Very high	93	Very high	29 Å²	29	59.6 Å²	59.6	18%	0.178	29%	0.287	C	S	.	.			trans	-64.2	149.9	179.2	59.5	0	0	0	0	112.6	L878 Q879 T917 Y928	T875-L878 PolarHBondContact O-N 3.02Å; T875-Q879 WeakPolarHBondContact O-CB 3.18Å; T875-Q879 PolarHBondContact O-N 2.85Å; T875-T917 HydrophobicContact CG2-CG2 4.37Å; T875-Y928 HydrophobicContact CG2-CE2 3.75Å; T875-Y928 PolarHBondContact N-OH 3.26Å; T875-Y928 PolarHBondContact OG1-OH 2.87Å; T875-Y928 VanDerWaalsContact OG1-OH 3.07Å
876	V	95.4	Very high	92	Very high	102 Å²	102	65.4 Å²	65.4	62%	0.618	31%	0.308	S	S	*	.	H	α-helix	trans	-60.3	-39.8	-176.7	-178.5	0	0	0	0	113.4	Q879 T880	V876-Q879 PolarHBondContact O-N 3.26Å; V876-T880 VanDerWaalsContact O-CB 3.28Å; V876-T880 WeakPolarHBondContact O-CB 3.39Å; V876-T880 PolarHBondContact O-N 2.89Å; V876-T880 PolarHBondContact O-OG1 3.48Å
877	P	95.2	Very high	91.4	Very high	34 Å²	34	71.1 Å²	71.1	22%	0.221	35%	0.348	C	S	.	.	H	α-helix	trans	-60.7	-47.5	174.3	-26.5	37.6	0	0	0	112.4	Q879 T880 D881 E913 V914 T917	P877-Q879 PolarHBondContact O-N 3.33Å; P877-T880 PolarHBondContact O-N 3.26Å; P877-D881 WeakPolarHBondContact O-CB 3.46Å; P877-D881 PolarHBondContact O-N 3.41Å; P877-E913 HydrophobicContact CB-CB 4.29Å; P877-V914 HydrophobicContact CB-CG2 4.02Å; P877-T917 HydrophobicContact CG-CG2 4.01Å
878	L	94.7	Very high	91.2	Very high	2 Å²	2	67.6 Å²	67.6	1%	0.01	33%	0.332	C	S	.	.	H	α-helix	trans	-63.8	-42.7	177.7	-176.6	64.7	0	0	0	111.9	I874 T875 T880 D881 L882 K903 V914 L918 Y928 F929	I874-L878 HydrophobicContact CB-CD2 4.24Å; I874-L878 HydrophobicContact CD1-CD2 4.22Å; I874-L878 HydrophobicContact CD1-CG 4.2Å; I874-L878 HydrophobicContact CG2-CD2 4.28Å; T875-L878 PolarHBondContact O-N 3.02Å; L878-T880 VanDerWaalsContact C-N 3.34Å; L878-T880 PolarHBondContact O-N 3.37Å; L878-D881 PolarHBondContact O-N 2.79Å; L878-L882 HydrophobicContact CD1-CD1 4.25Å; L878-L882 HydrophobicContact CD1-CG 4.32Å; L878-L882 HydrophobicContact CG-CD1 3.96Å; L878-L882 HydrophobicContact CG-CG 4.45Å; L878-L882 WeakPolarHBondContact O-CB 3.37Å; L878-L882 VanDerWaalsContact O-CG 3.29Å; L878-L882 WeakPolarHBondContact O-CG 3.41Å; L878-L882 PolarHBondContact O-N 2.87Å; L878-K903 HydrophobicContact CD1-CD 4.24Å; L878-K903 HydrophobicContact CD1-CG 4.11Å; L878-V914 HydrophobicContact CD1-CG1 3.95Å; L878-L918 HydrophobicContact CD1-CD1 4.27Å; L878-L918 HydrophobicContact CD1-CD2 4.33Å; L878-L918 HydrophobicContact CD2-CD2 3.95Å; L878-Y928 HydrophobicContact CD2-CE1 3.6Å; L878-Y928 WeakPolarHBondContact CD2-OH 3.14Å; L878-F929 HydrophobicContact CD2-CE1 4.29Å; L878-F929 HydrophobicContact CD2-CZ 4.17Å
879	Q	92.6	Very high	91.1	Very high	39 Å²	39	72.2 Å²	72.2	18%	0.182	34%	0.344	C	S	.	.	H	α-helix	trans	-60.9	-44.5	177	-166.6	-160.3	57.2	0	0	111.3	R871 I874 T875 V876 P877 R883	R871-Q879 WeakPolarHBondContact O-CG 3.38Å; R871-Q879 PolarHBondContact O-NE2 2.72Å; I874-Q879 HydrophobicContact CD1-CB 3.99Å; I874-Q879 HydrophobicContact CD1-CG 4.37Å; I874-Q879 HydrophobicContact CG1-CB 4.17Å; T875-Q879 WeakPolarHBondContact O-CB 3.18Å; T875-Q879 PolarHBondContact O-N 2.85Å; V876-Q879 PolarHBondContact O-N 3.26Å; P877-Q879 PolarHBondContact O-N 3.33Å; Q879-R883 WeakPolarHBondContact O-CG 3.42Å; Q879-R883 PolarHBondContact O-N 3.33Å; Q879-R883 VanDerWaalsContact OE1-NH2 3.08Å
880	T	91.4	Very high	91	Very high	69 Å²	69	71 Å²	71	42%	0.423	34%	0.338	S	S	.	.	H	α-helix	trans	-65.2	-40.9	179	-59	0	0	0	0	111.2	V876 P877 L878 R883	V876-T880 VanDerWaalsContact O-CB 3.28Å; V876-T880 WeakPolarHBondContact O-CB 3.39Å; V876-T880 PolarHBondContact O-N 2.89Å; V876-T880 PolarHBondContact O-OG1 3.48Å; P877-T880 PolarHBondContact O-N 3.26Å; L878-T880 VanDerWaalsContact C-N 3.34Å; L878-T880 PolarHBondContact O-N 3.37Å; T880-R883 PolarHBondContact O-N 3.45Å
881	D	92.6	Very high	90.9	Very high	4 Å²	4	73 Å²	73	2%	0.021	36%	0.359	C	S	.	.	H	α-helix	trans	-74.2	-34.3	-178.8	-162.6	64.6	0	0	0	113.4	P877 L878 R883 K884 K903 V914	P877-D881 WeakPolarHBondContact O-CB 3.46Å; P877-D881 PolarHBondContact O-N 3.41Å; L878-D881 PolarHBondContact O-N 2.79Å; D881-R883 VanDerWaalsContact C-N 3.33Å; D881-R883 PolarHBondContact O-N 2.92Å; D881-K884 PolarHBondContact O-N 3.21Å; D881-K884 IonicContact OD1-NZ 2.92Å; D881-K884 PolarHBondContact OD1-NZ 2.77Å; D881-K903 IonicContact OD2-NZ 2.76Å; D881-K903 PolarHBondContact OD2-NZ 2.8Å; D881-V914 HydrophobicContact CB-CG2 4.01Å
882	L	91	Very high	91	Very high	13 Å²	13	69 Å²	69	7%	0.068	35%	0.346	C	S	.	.	H	α-helix	trans	-63.6	-37.1	173.1	-74.8	167.8	0	0	0	112.4	W870 I874 L878 K884 Y888 A899 K903	W870-L882 HydrophobicContact CH2-CD1 4.07Å; W870-L882 HydrophobicContact CZ3-CD1 3.73Å; I874-L882 HydrophobicContact CD1-CD1 3.76Å; L878-L882 HydrophobicContact CD1-CD1 4.25Å; L878-L882 HydrophobicContact CD1-CG 4.32Å; L878-L882 HydrophobicContact CG-CD1 3.96Å; L878-L882 HydrophobicContact CG-CG 4.45Å; L878-L882 WeakPolarHBondContact O-CB 3.37Å; L878-L882 VanDerWaalsContact O-CG 3.29Å; L878-L882 WeakPolarHBondContact O-CG 3.41Å; L878-L882 PolarHBondContact O-N 2.87Å; L882-K884 PolarHBondContact O-N 2.96Å; L882-Y888 HydrophobicContact CD2-CD2 4.23Å; L882-Y888 HydrophobicContact CD2-CE2 3.65Å; L882-A899 HydrophobicContact CD2-CB 4.05Å; L882-K903 HydrophobicContact CD2-CG 4.38Å
883	R	86	Confident	91.2	Very high	183 Å²	183	62 Å²	62	69%	0.691	31%	0.313	S	S	*	.	H	α-helix	trans	-62.9	-21.9	178.8	-72.8	172.5	-172.9	-160.5	5.2	114.1	Q879 T880 D881	Q879-R883 WeakPolarHBondContact O-CG 3.42Å; Q879-R883 PolarHBondContact O-N 3.33Å; Q879-R883 VanDerWaalsContact OE1-NH2 3.08Å; T880-R883 PolarHBondContact O-N 3.45Å; D881-R883 VanDerWaalsContact C-N 3.33Å; D881-R883 PolarHBondContact O-N 2.92Å
884	K	80.1	Confident	91.2	Very high	123 Å²	123	59.4 Å²	59.4	54%	0.535	30%	0.3	S	S	.	.	H	α-helix	trans	-74.7	-37.7	-174.8	-62.9	170.9	-167.1	163.8	0	114.1	D881 L882	D881-K884 PolarHBondContact O-N 3.21Å; D881-K884 IonicContact OD1-NZ 2.92Å; D881-K884 PolarHBondContact OD1-NZ 2.77Å; L882-K884 PolarHBondContact O-N 2.96Å
885	F	71.6	Confident	91.1	Very high	157 Å²	157	59.1 Å²	59.1	69%	0.689	30%	0.299	S	S	*	.	H	α-helix	trans	-116.5	-29	-159.7	-62.3	-71.8	0	0	0	115.5
886	R	78.1	Confident	91.2	Very high	134 Å²	134	57.8 Å²	57.8	51%	0.506	29%	0.291	S	S	.	.			trans	-149.8	144.7	177.1	-67.3	-170.4	-176.7	-162.3	2.4	110.7	Y888	R886-Y888 HydrophobicContact CB-CD2 4.22Å; R886-Y888 HydrophobicContact CB-CE2 3.66Å; R886-Y888 WeakPolarHBondContact O-CD2 3.19Å
887	S	84.2	Confident	91.3	Very high	119 Å²	119	52.9 Å²	52.9	83%	0.832	26%	0.261	S	S	*	.			trans	-79.7	126.5	166.6	-171.1	0	0	0	0	109.8
888	Y	92.9	Very high	91.3	Very high	20 Å²	20	53.5 Å²	53.5	8%	0.078	26%	0.259	C	S	.	.			trans	-121.2	139.3	175.8	-62.4	-89.2	0	0	0	110.1	W870 R871 L882 R886 G890 D895 R898 A899 N902	W870-Y888 HydrophobicContact CH2-CG 4.27Å; W870-Y888 HydrophobicContact CZ2-CG 4.3Å; R871-Y888 PolarHBondContact NH1-O 2.88Å; L882-Y888 HydrophobicContact CD2-CD2 4.23Å; L882-Y888 HydrophobicContact CD2-CE2 3.65Å; R886-Y888 HydrophobicContact CB-CD2 4.22Å; R886-Y888 HydrophobicContact CB-CE2 3.66Å; R886-Y888 WeakPolarHBondContact O-CD2 3.19Å; Y888-G890 PolarHBondContact O-N 3.12Å; Y888-D895 HydrophobicContact CD1-CB 4.29Å; Y888-R898 HydrophobicContact CE1-CB 4.37Å; Y888-A899 HydrophobicContact CD1-CB 4.22Å; Y888-A899 HydrophobicContact CE1-CB 4Å; Y888-N902 PolarHBondContact OH-ND2 3.1Å
889	K	93.6	Very high	91.4	Very high	125 Å²	125	53.5 Å²	53.5	54%	0.543	26%	0.26	S	S	.	.			trans	-79.2	112.8	175.9	-65.2	176.2	-178.8	179	0	110.6	W870 G891 S892 D895	W870-K889 PolarHBondContact NE1-O 3.32Å; W870-K889 VanDerWaalsContact NE1-O 3.13Å; K889-G891 VanDerWaalsContact C-N 3.27Å; K889-G891 PolarHBondContact O-N 2.94Å; K889-S892 PolarHBondContact O-N 3.43Å; K889-D895 HydrophobicContact CB-CB 4.41Å; K889-D895 WeakPolarHBondContact CB-OD2 3.42Å; K889-D895 PolarHBondContact N-OD2 2.86Å
890	G	93.8	Very high	91.6	Very high	2 Å²	2	51.8 Å²	51.8	2%	0.021	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-25.4	179.8	0	0	0	0	0	115.5	D869 W870 R871 Y888 S892	D869-G890 WeakPolarHBondContact CA-O 3.31Å; D869-G890 VanDerWaalsContact OD1-CA 3.23Å; D869-G890 WeakPolarHBondContact OD1-CA 3.26Å; W870-G890 PolarHBondContact N-O 3.48Å; R871-G890 VanDerWaalsContact NE-CA 3.33Å; Y888-G890 PolarHBondContact O-N 3.12Å; G890-S892 VanDerWaalsContact C-N 3.31Å; G890-S892 PolarHBondContact O-N 2.93Å
891	G	96.1	Very high	91.9	Very high	42 Å²	42	51.8 Å²	51.8	43%	0.433	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	9.1	175.3	0	0	0	0	0	115.2	K889	K889-G891 VanDerWaalsContact C-N 3.27Å; K889-G891 PolarHBondContact O-N 2.94Å
892	S	96.9	Very high	92	Very high	14 Å²	14	52.3 Å²	52.3	10%	0.098	25%	0.246	C	C	.	.			trans	-117.5	129	-173.5	164.1	0	0	0	0	112.1	E859 W870 K889 G890 R894 D895 L896	E859-S892 WeakPolarHBondContact OE1-CB 3.39Å; E859-S892 PolarHBondContact OE1-OG 2.94Å; E859-S892 WeakPolarHBondContact OE2-CA 3.43Å; W870-S892 PolarHBondContact NE1-O 2.95Å; K889-S892 PolarHBondContact O-N 3.43Å; G890-S892 VanDerWaalsContact C-N 3.31Å; G890-S892 PolarHBondContact O-N 2.93Å; S892-R894 PolarHBondContact OG-N 3.06Å; S892-D895 PolarHBondContact OG-N 3.12Å; S892-D895 VanDerWaalsContact OG-N 3.09Å; S892-L896 PolarHBondContact O-N 3.09Å
893	V	97.9	Very high	92.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-67.8	-40.7	172.6	177	0	0	0	0	110.3	L858 E859 G862 V865 V866 D895 L896 L897 L936	L858-V893 HydrophobicContact CD1-CG1 3.78Å; L858-V893 HydrophobicContact CD2-CG1 4.43Å; L858-V893 HydrophobicContact CG-CB 4.28Å; L858-V893 HydrophobicContact CG-CG1 3.93Å; E859-V893 PolarHBondContact OE1-N 2.98Å; E859-V893 VanDerWaalsContact OE1-N 3.14Å; E859-V893 PolarHBondContact OE2-N 2.86Å; G862-V893 VanDerWaalsContact CA-CG2 3.48Å; V865-V893 HydrophobicContact CB-CG2 4.41Å; V866-V893 HydrophobicContact CG1-CG2 3.81Å; V893-D895 VanDerWaalsContact C-N 3.33Å; V893-D895 PolarHBondContact O-N 3.47Å; V893-L896 PolarHBondContact O-N 3.14Å; V893-L897 HydrophobicContact CG1-CD1 4.28Å; V893-L897 HydrophobicContact CG1-CG 4.44Å; V893-L897 WeakPolarHBondContact O-CG 3.31Å; V893-L897 PolarHBondContact O-N 3.28Å; V893-L936 HydrophobicContact CG1-CD1 4Å
894	R	96.9	Very high	92.7	Very high	19 Å²	19	45.5 Å²	45.5	7%	0.072	22%	0.221	C	C	.	.	H	α-helix	trans	-55.8	-46.9	175.2	171.2	169.2	178.7	179.9	0.3	111.4	I845 E846 E848 L858 E859 S892 L897 R898	I845-R894 HydrophobicContact CD1-CB 4.01Å; I845-R894 HydrophobicContact CD1-CG 3.76Å; I845-R894 HydrophobicContact CG1-CG 4.12Å; I845-R894 PolarHBondContact O-NE 3.36Å; I845-R894 PolarHBondContact O-NH2 2.83Å; E846-R894 PolarHBondContact O-NH2 3.16Å; E848-R894 VanDerWaalsContact O-CZ 3.26Å; E848-R894 PolarHBondContact O-NH1 3.09Å; E848-R894 PolarHBondContact O-NH2 3.41Å; L858-R894 HydrophobicContact CD2-CB 4.35Å; E859-R894 VanDerWaalsContact OE1-CB 3.3Å; E859-R894 WeakPolarHBondContact OE1-CB 2.95Å; E859-R894 PolarHBondContact OE1-N 3.02Å; S892-R894 PolarHBondContact OG-N 3.06Å; R894-L897 PolarHBondContact O-N 3.47Å; R894-R898 HydrophobicContact CG-CG 4.44Å; R894-R898 WeakPolarHBondContact O-CB 3.32Å; R894-R898 WeakPolarHBondContact O-CD 3.47Å; R894-R898 WeakPolarHBondContact O-CG 3.38Å; R894-R898 PolarHBondContact O-N 3.47Å
895	D	96.1	Very high	93.4	Very high	12 Å²	12	45.9 Å²	45.9	6%	0.064	23%	0.225	C	C	.	.	H	α-helix	trans	-72.7	-26.6	-178.7	-84.8	0.8	0	0	0	113.6	Y888 K889 S892 V893 R898 A899	Y888-D895 HydrophobicContact CD1-CB 4.29Å; K889-D895 HydrophobicContact CB-CB 4.41Å; K889-D895 WeakPolarHBondContact CB-OD2 3.42Å; K889-D895 PolarHBondContact N-OD2 2.86Å; S892-D895 PolarHBondContact OG-N 3.12Å; S892-D895 VanDerWaalsContact OG-N 3.09Å; V893-D895 VanDerWaalsContact C-N 3.33Å; V893-D895 PolarHBondContact O-N 3.47Å; D895-R898 WeakPolarHBondContact OD1-CD 3.42Å; D895-R898 IonicContact OD1-CZ 2.74Å; D895-R898 IonicContact OD1-NE 3.01Å; D895-R898 IonicContact OD1-NH1 3.68Å; D895-R898 PolarHBondContact OD1-NH1 3.07Å; D895-A899 WeakPolarHBondContact O-CB 3.24Å; D895-A899 PolarHBondContact O-N 3.07Å
896	L	98	Very high	94.5	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.2	-50.4	169	177.9	54.5	0	0	0	111.3	V866 W870 S892 V893 R898 A899 M900 F929 F933 L936	V866-L896 HydrophobicContact CG1-CD2 4.23Å; W870-L896 HydrophobicContact CB-CD1 4.3Å; W870-L896 HydrophobicContact CB-CD2 4.18Å; W870-L896 HydrophobicContact CD2-CB 4.18Å; W870-L896 HydrophobicContact CD2-CD1 3.78Å; W870-L896 HydrophobicContact CD2-CG 4.47Å; W870-L896 HydrophobicContact CE3-CD1 3.87Å; W870-L896 HydrophobicContact CG-CB 4.08Å; W870-L896 HydrophobicContact CG-CD1 3.99Å; W870-L896 HydrophobicContact CG-CD2 4.27Å; W870-L896 HydrophobicContact CG-CG 4.33Å; W870-L896 HydrophobicContact CZ3-CD1 4.41Å; S892-L896 PolarHBondContact O-N 3.09Å; V893-L896 PolarHBondContact O-N 3.14Å; L896-R898 VanDerWaalsContact C-N 3.29Å; L896-R898 PolarHBondContact O-N 3.01Å; L896-A899 WeakPolarHBondContact O-CB 3.44Å; L896-A899 PolarHBondContact O-N 2.81Å; L896-A899 VanDerWaalsContact O-N 3.09Å; L896-M900 HydrophobicContact CD1-CG 4.45Å; L896-M900 HydrophobicContact CD1-SD 4.4Å; L896-M900 HydrophobicContact CG-SD 4.2Å; L896-M900 WeakPolarHBondContact O-CG 3.43Å; L896-M900 PolarHBondContact O-N 2.89Å; L896-F929 HydrophobicContact CD1-CD1 4.26Å; L896-F929 HydrophobicContact CD1-CE1 4.4Å; L896-F933 HydrophobicContact CD1-CE2 4.28Å; L896-F933 HydrophobicContact CD2-CD1 4.41Å; L896-F933 HydrophobicContact CD2-CD2 3.96Å; L896-F933 HydrophobicContact CD2-CE2 4.29Å; L896-F933 HydrophobicContact CD2-CG 4.03Å; L896-L936 HydrophobicContact CD2-CD1 4.04Å; L896-L936 HydrophobicContact CD2-CD2 3.89Å; L896-L936 HydrophobicContact CG-CD2 4.34Å
897	L	98.1	Very high	95.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.7	-39.2	177.8	-65	179.6	0	0	0	111.8	F838 V841 I845 L858 V893 R894 M900 R901 L936 T940	F838-L897 HydrophobicContact CB-CD2 4.32Å; F838-L897 HydrophobicContact CD1-CD2 3.43Å; F838-L897 VanDerWaalsContact CD1-CD2 3.43Å; F838-L897 HydrophobicContact CE1-CD2 3.99Å; F838-L897 HydrophobicContact CG-CD2 4.16Å; V841-L897 HydrophobicContact CG1-CD1 3.77Å; I845-L897 HydrophobicContact CD1-CD1 4.32Å; L858-L897 HydrophobicContact CD2-CD1 4.27Å; V893-L897 HydrophobicContact CG1-CD1 4.28Å; V893-L897 HydrophobicContact CG1-CG 4.44Å; V893-L897 WeakPolarHBondContact O-CG 3.31Å; V893-L897 PolarHBondContact O-N 3.28Å; R894-L897 PolarHBondContact O-N 3.47Å; L897-M900 HydrophobicContact CD2-SD 4Å; L897-M900 WeakPolarHBondContact O-CB 3.29Å; L897-M900 PolarHBondContact O-N 2.85Å; L897-R901 WeakPolarHBondContact O-CB 3.36Å; L897-R901 PolarHBondContact O-N 3.29Å; L897-L936 HydrophobicContact CD2-CD1 4.24Å; L897-L936 HydrophobicContact CD2-CD2 4.37Å; L897-L936 HydrophobicContact CD2-CG 4.43Å; L897-T940 HydrophobicContact CD1-CG2 3.88Å
898	R	95.9	Very high	95.8	Very high	47 Å²	47	43 Å²	43	18%	0.177	19%	0.194	C	C	.	.	H	α-helix	trans	-64.1	-39.5	173.8	-67.8	165.9	80.9	-145.9	6.1	112.3	S842 E846 Y888 R894 D895 L896 N902	S842-R898 WeakPolarHBondContact OG-CA 3.48Å; E846-R898 IonicContact OE1-CZ 2.94Å; E846-R898 IonicContact OE1-NE 2.68Å; E846-R898 IonicContact OE1-NH2 3.08Å; E846-R898 PolarHBondContact OE1-NH2 3.5Å; E846-R898 WeakPolarHBondContact OE2-CD 3.28Å; E846-R898 WeakPolarHBondContact OE2-CG 3.47Å; E846-R898 IonicContact OE2-CZ 3.14Å; E846-R898 IonicContact OE2-NE 3.24Å; E846-R898 PolarHBondContact OE2-NE 3.04Å; E846-R898 IonicContact OE2-NH2 3.18Å; E846-R898 PolarHBondContact OE2-NH2 2.71Å; Y888-R898 HydrophobicContact CE1-CB 4.37Å; R894-R898 HydrophobicContact CG-CG 4.44Å; R894-R898 WeakPolarHBondContact O-CB 3.32Å; R894-R898 WeakPolarHBondContact O-CD 3.47Å; R894-R898 WeakPolarHBondContact O-CG 3.38Å; R894-R898 PolarHBondContact O-N 3.47Å; D895-R898 WeakPolarHBondContact OD1-CD 3.42Å; D895-R898 IonicContact OD1-CZ 2.74Å; D895-R898 IonicContact OD1-NE 3.01Å; D895-R898 IonicContact OD1-NH1 3.68Å; D895-R898 PolarHBondContact OD1-NH1 3.07Å; L896-R898 VanDerWaalsContact C-N 3.29Å; L896-R898 PolarHBondContact O-N 3.01Å; R898-N902 VanDerWaalsContact O-CB 3.28Å; R898-N902 WeakPolarHBondContact O-CB 3.14Å; R898-N902 PolarHBondContact O-N 3.29Å; R898-N902 PolarHBondContact O-ND2 2.97Å; R898-N902 VanDerWaalsContact O-ND2 3.1Å
899	A	96.1	Very high	95.9	Very high	2 Å²	2	49.1 Å²	49.1	2%	0.017	22%	0.224	C	C	.	.	H	α-helix	trans	-64.1	-45.4	174.4	0	0	0	0	0	111.4	W870 L882 Y888 D895 L896 N902 K903	W870-A899 HydrophobicContact CH2-CB 3.6Å; W870-A899 HydrophobicContact CZ2-CB 4.18Å; W870-A899 HydrophobicContact CZ3-CB 4.28Å; L882-A899 HydrophobicContact CD2-CB 4.05Å; Y888-A899 HydrophobicContact CD1-CB 4.22Å; Y888-A899 HydrophobicContact CE1-CB 4Å; D895-A899 WeakPolarHBondContact O-CB 3.24Å; D895-A899 PolarHBondContact O-N 3.07Å; L896-A899 WeakPolarHBondContact O-CB 3.44Å; L896-A899 PolarHBondContact O-N 2.81Å; L896-A899 VanDerWaalsContact O-N 3.09Å; A899-N902 PolarHBondContact O-N 2.57Å; A899-K903 WeakPolarHBondContact O-CB 3.3Å; A899-K903 WeakPolarHBondContact O-CG 3.33Å; A899-K903 PolarHBondContact O-N 2.83Å
900	M	97.4	Very high	95.9	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.015	20%	0.201	C	C	.	.	H	α-helix	trans	-57.1	-54.1	174.5	-66.7	166.5	64.7	0	0	111.5	F838 L896 L897 N902 K903 K904 F929 L936	F838-M900 HydrophobicContact CB-CE 4.09Å; F838-M900 HydrophobicContact CD1-CE 4.38Å; F838-M900 HydrophobicContact CD2-CE 3.62Å; F838-M900 HydrophobicContact CE2-CE 4.02Å; F838-M900 HydrophobicContact CG-CE 3.8Å; L896-M900 HydrophobicContact CD1-CG 4.45Å; L896-M900 HydrophobicContact CD1-SD 4.4Å; L896-M900 HydrophobicContact CG-SD 4.2Å; L896-M900 WeakPolarHBondContact O-CG 3.43Å; L896-M900 PolarHBondContact O-N 2.89Å; L897-M900 HydrophobicContact CD2-SD 4Å; L897-M900 WeakPolarHBondContact O-CB 3.29Å; L897-M900 PolarHBondContact O-N 2.85Å; M900-N902 PolarHBondContact O-N 3.34Å; M900-K903 PolarHBondContact O-N 2.76Å; M900-K903 VanDerWaalsContact O-N 3.14Å; M900-K904 PolarHBondContact O-N 3.3Å; M900-F929 HydrophobicContact CB-CE2 4.39Å; M900-F929 HydrophobicContact CB-CZ 4.47Å; M900-F929 HydrophobicContact CE-CB 3.79Å; M900-F929 HydrophobicContact CE-CD2 3.96Å; M900-F929 HydrophobicContact CE-CG 3.85Å; M900-F929 HydrophobicContact CG-CD1 3.6Å; M900-F929 HydrophobicContact CG-CD2 3.77Å; M900-F929 HydrophobicContact CG-CE1 3.59Å; M900-F929 HydrophobicContact CG-CE2 3.79Å; M900-F929 HydrophobicContact CG-CG 3.71Å; M900-F929 HydrophobicContact CG-CZ 3.7Å; M900-F929 HydrophobicContact SD-CB 4.11Å; M900-F929 HydrophobicContact SD-CD1 3.99Å; M900-F929 HydrophobicContact SD-CD2 4.33Å; M900-F929 HydrophobicContact SD-CG 3.87Å; M900-L936 HydrophobicContact CE-CD2 4.23Å; M900-L936 HydrophobicContact SD-CD2 3.74Å
901	R	96.6	Very high	96	Very high	69 Å²	69	46.3 Å²	46.3	26%	0.26	22%	0.217	S	C	.	.	H	α-helix	trans	-57	-44.9	178.7	179.5	-122.4	-177.3	-121.6	-2.1	112.2	Q839 S842 D843 L897 K904 H905	Q839-R901 HydrophobicContact CG-CG 4.29Å; S842-R901 WeakPolarHBondContact OG-CB 3.17Å; S842-R901 WeakPolarHBondContact OG-CD 3.27Å; D843-R901 IonicContact OD1-CZ 3.49Å; D843-R901 IonicContact OD1-NE 2.72Å; D843-R901 PolarHBondContact OD1-NE 3.45Å; D843-R901 IonicContact OD1-NH2 2.69Å; D843-R901 PolarHBondContact OD1-NH2 3.24Å; L897-R901 WeakPolarHBondContact O-CB 3.36Å; L897-R901 PolarHBondContact O-N 3.29Å; R901-K904 PolarHBondContact O-N 3.17Å; R901-H905 WeakPolarHBondContact O-CB 3.39Å; R901-H905 PolarHBondContact O-N 3.28Å
902	N	94.8	Very high	96	Very high	14 Å²	14	50.1 Å²	50.1	8%	0.075	23%	0.226	C	C	.	.	H	α-helix	trans	-67.5	-34.9	178.1	-67.7	-21.7	0	0	0	112.4	Y888 R898 A899 M900 H906	Y888-N902 PolarHBondContact OH-ND2 3.1Å; R898-N902 VanDerWaalsContact O-CB 3.28Å; R898-N902 WeakPolarHBondContact O-CB 3.14Å; R898-N902 PolarHBondContact O-N 3.29Å; R898-N902 PolarHBondContact O-ND2 2.97Å; R898-N902 VanDerWaalsContact O-ND2 3.1Å; A899-N902 PolarHBondContact O-N 2.57Å; M900-N902 PolarHBondContact O-N 3.34Å; N902-H906 PolarHBondContact O-CD2 3.47Å; N902-H906 PolarHBondContact O-N 3.11Å; N902-H906 VanDerWaalsContact O-N 3.13Å
903	K	95.2	Very high	95.9	Very high	19 Å²	19	55.6 Å²	55.6	8%	0.083	25%	0.25	C	S	.	.	H	α-helix	trans	-76.8	-30.1	176.4	-67.2	-63.4	178.5	-165.5	0	113.5	L878 D881 L882 A899 M900 Y907 L910 F925	L878-K903 HydrophobicContact CD1-CD 4.24Å; L878-K903 HydrophobicContact CD1-CG 4.11Å; D881-K903 IonicContact OD2-NZ 2.76Å; D881-K903 PolarHBondContact OD2-NZ 2.8Å; L882-K903 HydrophobicContact CD2-CG 4.38Å; A899-K903 WeakPolarHBondContact O-CB 3.3Å; A899-K903 WeakPolarHBondContact O-CG 3.33Å; A899-K903 PolarHBondContact O-N 2.83Å; M900-K903 PolarHBondContact O-N 2.76Å; M900-K903 VanDerWaalsContact O-N 3.14Å; K903-Y907 VanDerWaalsContact O-CA 3.32Å; K903-Y907 WeakPolarHBondContact O-CA 3.39Å; K903-Y907 WeakPolarHBondContact O-CB 3.46Å; K903-Y907 PolarHBondContact O-N 3.5Å; K903-Y907 VanDerWaalsContact O-N 3.16Å; K903-L910 HydrophobicContact CB-CD1 4.44Å; K903-L910 HydrophobicContact CD-CD1 3.88Å; K903-L910 HydrophobicContact CD-CD2 3.62Å; K903-L910 HydrophobicContact CD-CG 4.42Å; K903-F925 HydrophobicContact CB-CE2 4.18Å; K903-F925 HydrophobicContact CB-CZ 4.01Å
904	K	95.8	Very high	95.8	Very high	35 Å²	35	55.7 Å²	55.7	15%	0.152	25%	0.251	C	S	.	.	H	α-helix	trans	-63.2	-49.2	167.9	-173.2	-171.1	-178.7	-173.5	0	110.4	L835 M900 R901 H906 Y907 I921 F925	L835-K904 HydrophobicContact CD1-CD 4.11Å; L835-K904 HydrophobicContact CD2-CD 4.08Å; L835-K904 HydrophobicContact CD2-CG 4.41Å; L835-K904 HydrophobicContact CG-CD 3.88Å; M900-K904 PolarHBondContact O-N 3.3Å; R901-K904 PolarHBondContact O-N 3.17Å; K904-H906 PolarHBondContact O-N 3.13Å; K904-Y907 WeakPolarHBondContact O-CB 3.24Å; K904-Y907 PolarHBondContact O-N 3.01Å; K904-I921 HydrophobicContact CG-CD1 4.19Å; K904-F925 HydrophobicContact CB-CE1 4.09Å; K904-F925 HydrophobicContact CB-CZ 3.92Å
905	H	94.9	Very high	95.7	Very high	131 Å²	131	57.2 Å²	57.2	61%	0.606	26%	0.259	S	S	*	.	H	α-helix	trans	-62.6	-44.2	-177.1	-172.1	-86.1	0	0	0	113.2	R901	R901-H905 WeakPolarHBondContact O-CB 3.39Å; R901-H905 PolarHBondContact O-N 3.28Å
906	H	94.4	Very high	95.7	Very high	76 Å²	76	63.5 Å²	63.5	35%	0.352	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	16.8	-177.8	-67.5	-84.7	0	0	0	113.7	N902 K904 R908 E909 L910	N902-H906 PolarHBondContact O-CD2 3.47Å; N902-H906 PolarHBondContact O-N 3.11Å; N902-H906 VanDerWaalsContact O-N 3.13Å; K904-H906 PolarHBondContact O-N 3.13Å; H906-R908 VanDerWaalsContact C-N 3.31Å; H906-R908 PolarHBondContact O-N 3.04Å; H906-R908 VanDerWaalsContact O-N 3.16Å; H906-E909 IonicContact CE1-OE2 2.72Å; H906-E909 IonicContact CG-OE2 2.68Å; H906-E909 IonicContact ND1-OE1 2.87Å; H906-E909 IonicContact ND1-OE2 2.57Å; H906-E909 PolarHBondContact ND1-OE2 2.87Å; H906-E909 WeakPolarHBondContact O-CA 3.25Å; H906-E909 WeakPolarHBondContact O-CB 3.45Å; H906-E909 PolarHBondContact O-N 3.21Å; H906-L910 PolarHBondContact O-N 3.37Å
907	Y	96	Very high	95.6	Very high	37 Å²	37	65.6 Å²	65.6	15%	0.145	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-52.2	-44.5	-169.4	-178.9	-88.1	0	0	0	113.9	K903 K904 E909 L910 Q915 L918 G919 I921 F925	K903-Y907 VanDerWaalsContact O-CA 3.32Å; K903-Y907 WeakPolarHBondContact O-CA 3.39Å; K903-Y907 WeakPolarHBondContact O-CB 3.46Å; K903-Y907 PolarHBondContact O-N 3.5Å; K903-Y907 VanDerWaalsContact O-N 3.16Å; K904-Y907 WeakPolarHBondContact O-CB 3.24Å; K904-Y907 PolarHBondContact O-N 3.01Å; Y907-E909 PolarHBondContact O-N 3.05Å; Y907-L910 HydrophobicContact CD2-CD1 4.37Å; Y907-L910 WeakPolarHBondContact O-CB 3.26Å; Y907-L910 WeakPolarHBondContact O-CG 3.27Å; Y907-L910 PolarHBondContact O-N 2.97Å; Y907-Q915 HydrophobicContact CE1-CB 4.41Å; Y907-Q915 HydrophobicContact CE1-CG 4.06Å; Y907-Q915 HydrophobicContact CE2-CB 4.39Å; Y907-Q915 HydrophobicContact CE2-CG 4.3Å; Y907-Q915 PolarHBondContact O-NE2 3.24Å; Y907-L918 HydrophobicContact CE2-CB 4.37Å; Y907-G919 WeakPolarHBondContact CE2-O 3.31Å; Y907-G919 PolarHBondContact OH-O 3.38Å; Y907-I921 VanDerWaalsContact CB-CD1 3.5Å; Y907-I921 HydrophobicContact CD1-CD1 4.12Å; Y907-I921 HydrophobicContact CD2-CD1 3.51Å; Y907-I921 HydrophobicContact CD2-CG1 3.94Å; Y907-I921 HydrophobicContact CE2-CD1 4.27Å; Y907-I921 HydrophobicContact CE2-CG1 4.21Å; Y907-I921 HydrophobicContact CG-CD1 3.42Å; Y907-I921 VanDerWaalsContact CG-CD1 3.42Å; Y907-I921 HydrophobicContact CG-CG1 4.17Å; Y907-F925 AromaticContact CD2-CD2 3.94Å; Y907-F925 HydrophobicContact CD2-CD2 3.94Å; Y907-F925 HydrophobicContact CD2-CE2 4.11Å; Y907-F925 HydrophobicContact CE2-CD2 4.16Å
908	R	95.4	Very high	95.5	Very high	236 Å²	236	65.8 Å²	65.8	89%	0.891	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-67.8	-14.9	179.7	-64.4	-178.9	179.5	172.1	-0.1	114.2	H906	H906-R908 VanDerWaalsContact C-N 3.31Å; H906-R908 PolarHBondContact O-N 3.04Å; H906-R908 VanDerWaalsContact O-N 3.16Å
909	E	94.4	Very high	95.6	Very high	148 Å²	148	64.4 Å²	64.4	69%	0.692	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-98.7	-4.8	179.4	-59.2	166.2	-165.3	0	0	112	H906 Y907	H906-E909 IonicContact CE1-OE2 2.72Å; H906-E909 IonicContact CG-OE2 2.68Å; H906-E909 IonicContact ND1-OE1 2.87Å; H906-E909 IonicContact ND1-OE2 2.57Å; H906-E909 PolarHBondContact ND1-OE2 2.87Å; H906-E909 WeakPolarHBondContact O-CA 3.25Å; H906-E909 WeakPolarHBondContact O-CB 3.45Å; H906-E909 PolarHBondContact O-N 3.21Å; Y907-E909 PolarHBondContact O-N 3.05Å
910	L	93.9	Very high	95.6	Very high	14 Å²	14	67.3 Å²	67.3	7%	0.073	32%	0.322	C	S	.	.	S	Bend	trans	-75.8	149.8	179.9	-58.7	-179.6	0	0	0	111.6	K903 H906 Y907 V914 Q915 L918	K903-L910 HydrophobicContact CB-CD1 4.44Å; K903-L910 HydrophobicContact CD-CD1 3.88Å; K903-L910 HydrophobicContact CD-CD2 3.62Å; K903-L910 HydrophobicContact CD-CG 4.42Å; H906-L910 PolarHBondContact O-N 3.37Å; Y907-L910 HydrophobicContact CD2-CD1 4.37Å; Y907-L910 WeakPolarHBondContact O-CB 3.26Å; Y907-L910 WeakPolarHBondContact O-CG 3.27Å; Y907-L910 PolarHBondContact O-N 2.97Å; L910-V914 HydrophobicContact CB-CB 4.32Å; L910-V914 HydrophobicContact CB-CG1 4.42Å; L910-V914 HydrophobicContact CD1-CG1 4.06Å; L910-Q915 HydrophobicContact CB-CG 3.99Å; L910-Q915 PolarHBondContact O-NE2 2.94Å; L910-L918 HydrophobicContact CD1-CD1 3.82Å
911	P	95.6	Very high	95.5	Very high	54 Å²	54	70.3 Å²	70.3	35%	0.351	34%	0.338	S	S	.	.			trans	-55.6	148.3	169.6	-22	32.5	0	0	0	111.9	E913 V914 Q915	P911-E913 VanDerWaalsContact C-N 3.32Å; P911-E913 PolarHBondContact O-N 3.04Å; P911-V914 HydrophobicContact CB-CG2 4.16Å; P911-V914 HydrophobicContact CG-CG2 4.19Å; P911-V914 WeakPolarHBondContact O-CA 3.4Å; P911-V914 WeakPolarHBondContact O-CB 3.32Å; P911-V914 PolarHBondContact O-N 2.68Å; P911-Q915 PolarHBondContact O-N 3.29Å; P911-Q915 VanDerWaalsContact O-N 3.07Å
912	I	94.8	Very high	95.5	Very high	122 Å²	122	68.9 Å²	68.9	63%	0.626	34%	0.337	S	S	*	.	H	α-helix	trans	-55.1	-46.2	-176.7	-60.9	173.3	0	0	0	111.1	V914 Q915 E916	I912-V914 PolarHBondContact O-N 2.61Å; I912-V914 VanDerWaalsContact O-N 3.07Å; I912-Q915 CarbonylContact O-C 3.55Å; I912-Q915 WeakPolarHBondContact O-CB 3.38Å; I912-Q915 PolarHBondContact O-N 3.14Å; I912-E916 HydrophobicContact CG2-CG 4.12Å; I912-E916 WeakPolarHBondContact CG2-OE1 3.35Å; I912-E916 WeakPolarHBondContact O-CG 3.4Å; I912-E916 PolarHBondContact O-N 2.9Å
913	E	95.1	Very high	95.5	Very high	129 Å²	129	72 Å²	72	60%	0.603	35%	0.354	S	S	*	.	H	α-helix	trans	-53.4	-29.8	174.6	-59.1	172.1	-171.6	0	0	114.2	P877 P911 T917	P877-E913 HydrophobicContact CB-CB 4.29Å; P911-E913 VanDerWaalsContact C-N 3.32Å; P911-E913 PolarHBondContact O-N 3.04Å; E913-T917 WeakPolarHBondContact O-CG2 3.43Å; E913-T917 PolarHBondContact O-N 3.08Å; E913-T917 PolarHBondContact O-OG1 3.19Å
914	V	95.5	Very high	95.6	Very high	3 Å²	3	75 Å²	75	2%	0.018	37%	0.371	C	S	.	.	H	α-helix	trans	-85.4	-36.8	179.2	-174.6	0	0	0	0	110.3	P877 L878 D881 L910 P911 I912 T917 L918	P877-V914 HydrophobicContact CB-CG2 4.02Å; L878-V914 HydrophobicContact CD1-CG1 3.95Å; D881-V914 HydrophobicContact CB-CG2 4.01Å; L910-V914 HydrophobicContact CB-CB 4.32Å; L910-V914 HydrophobicContact CB-CG1 4.42Å; L910-V914 HydrophobicContact CD1-CG1 4.06Å; P911-V914 HydrophobicContact CB-CG2 4.16Å; P911-V914 HydrophobicContact CG-CG2 4.19Å; P911-V914 WeakPolarHBondContact O-CA 3.4Å; P911-V914 WeakPolarHBondContact O-CB 3.32Å; P911-V914 PolarHBondContact O-N 2.68Å; I912-V914 PolarHBondContact O-N 2.61Å; I912-V914 VanDerWaalsContact O-N 3.07Å; V914-T917 PolarHBondContact O-OG1 2.87Å; V914-L918 HydrophobicContact CG1-CD1 3.96Å; V914-L918 WeakPolarHBondContact O-CB 3.34Å; V914-L918 WeakPolarHBondContact O-CD1 3.42Å; V914-L918 VanDerWaalsContact O-CG 3.26Å; V914-L918 WeakPolarHBondContact O-CG 3.43Å; V914-L918 PolarHBondContact O-N 3.49Å; V914-L918 VanDerWaalsContact O-N 3.1Å
915	Q	96.1	Very high	95.8	Very high	51 Å²	51	73.3 Å²	73.3	24%	0.238	36%	0.363	C	S	.	.	H	α-helix	trans	-63.6	-45.3	171.2	-64.8	-172.6	47.6	0	0	110.7	Y907 L910 P911 I912 T917 L918 G919	Y907-Q915 HydrophobicContact CE1-CB 4.41Å; Y907-Q915 HydrophobicContact CE1-CG 4.06Å; Y907-Q915 HydrophobicContact CE2-CB 4.39Å; Y907-Q915 HydrophobicContact CE2-CG 4.3Å; Y907-Q915 PolarHBondContact O-NE2 3.24Å; L910-Q915 HydrophobicContact CB-CG 3.99Å; L910-Q915 PolarHBondContact O-NE2 2.94Å; P911-Q915 PolarHBondContact O-N 3.29Å; P911-Q915 VanDerWaalsContact O-N 3.07Å; I912-Q915 CarbonylContact O-C 3.55Å; I912-Q915 WeakPolarHBondContact O-CB 3.38Å; I912-Q915 PolarHBondContact O-N 3.14Å; Q915-T917 PolarHBondContact O-N 2.68Å; Q915-L918 PolarHBondContact O-N 3.29Å; Q915-G919 PolarHBondContact O-N 2.71Å
916	E	95.6	Very high	95.9	Very high	144 Å²	144	67 Å²	67	67%	0.673	34%	0.335	S	S	*	.	H	α-helix	trans	-61	-41.3	176.5	-72.2	174.6	169	0	0	112.9	I912	I912-E916 HydrophobicContact CG2-CG 4.12Å; I912-E916 WeakPolarHBondContact CG2-OE1 3.35Å; I912-E916 WeakPolarHBondContact O-CG 3.4Å; I912-E916 PolarHBondContact O-N 2.9Å
917	T	96.3	Very high	96.1	Very high	44 Å²	44	65.5 Å²	65.5	27%	0.27	33%	0.332	S	S	.	.	H	α-helix	trans	-76.8	-22	178.3	51.7	0	0	0	0	114.2	T875 P877 E913 V914 Q915 Y928	T875-T917 HydrophobicContact CG2-CG2 4.37Å; P877-T917 HydrophobicContact CG-CG2 4.01Å; E913-T917 WeakPolarHBondContact O-CG2 3.43Å; E913-T917 PolarHBondContact O-N 3.08Å; E913-T917 PolarHBondContact O-OG1 3.19Å; V914-T917 PolarHBondContact O-OG1 2.87Å; Q915-T917 PolarHBondContact O-N 2.68Å; T917-Y928 WeakPolarHBondContact O-CD2 3.39Å; T917-Y928 WeakPolarHBondContact O-CE2 3.29Å
918	L	95.9	Very high	96.2	Very high	3 Å²	3	64.2 Å²	64.2	2%	0.016	33%	0.327	C	S	.	.	H	α-helix	trans	-85.6	-30.5	173.3	-73.3	169.4	0	0	0	112.9	L878 Y907 L910 V914 Q915 D924 F925 Y928 F929	L878-L918 HydrophobicContact CD1-CD1 4.27Å; L878-L918 HydrophobicContact CD1-CD2 4.33Å; L878-L918 HydrophobicContact CD2-CD2 3.95Å; Y907-L918 HydrophobicContact CE2-CB 4.37Å; L910-L918 HydrophobicContact CD1-CD1 3.82Å; V914-L918 HydrophobicContact CG1-CD1 3.96Å; V914-L918 WeakPolarHBondContact O-CB 3.34Å; V914-L918 WeakPolarHBondContact O-CD1 3.42Å; V914-L918 VanDerWaalsContact O-CG 3.26Å; V914-L918 WeakPolarHBondContact O-CG 3.43Å; V914-L918 PolarHBondContact O-N 3.49Å; V914-L918 VanDerWaalsContact O-N 3.1Å; Q915-L918 PolarHBondContact O-N 3.29Å; L918-D924 CarbonylContact O-C 3.54Å; L918-F925 HydrophobicContact CB-CD2 4.16Å; L918-F925 HydrophobicContact CD1-CD2 4.29Å; L918-F925 HydrophobicContact CD1-CE2 3.93Å; L918-F925 HydrophobicContact CD2-CD2 4.43Å; L918-F925 HydrophobicContact CD2-CE2 4.3Å; L918-F925 WeakPolarHBondContact O-CA 2.99Å; L918-F925 PolarHBondContact O-N 2.95Å; L918-Y928 HydrophobicContact CD2-CD1 3.76Å; L918-Y928 HydrophobicContact CD2-CD2 4.49Å; L918-Y928 HydrophobicContact CD2-CE1 3.9Å; L918-Y928 HydrophobicContact CD2-CG 4.1Å; L918-F929 HydrophobicContact CD2-CE2 3.95Å; L918-F929 HydrophobicContact CD2-CZ 3.96Å
919	G	96.9	Very high	96.3	Very high	18 Å²	18	53.2 Å²	53.2	19%	0.186	29%	0.286	C	S	.	.			trans	72.9	-179.5	-171.1	0	0	0	0	0	113.6	Y907 Q915	Y907-G919 WeakPolarHBondContact CE2-O 3.31Å; Y907-G919 PolarHBondContact OH-O 3.38Å; Q915-G919 PolarHBondContact O-N 2.71Å
920	S	96.5	Very high	96.5	Very high	63 Å²	63	46.5 Å²	46.5	44%	0.441	26%	0.255	S	S	.	.	S	Bend	trans	-66	152.3	-175.5	72.9	0	0	0	0	113.9	D924 F925	S920-D924 VanDerWaalsContact CB-OD2 3.29Å; S920-D924 WeakPolarHBondContact CB-OD2 3.49Å; S920-D924 PolarHBondContact N-OD2 2.75Å; S920-D924 PolarHBondContact O-N 3.16Å; S920-D924 PolarHBondContact OG-OD2 2.66Å; S920-F925 WeakPolarHBondContact O-CB 3.46Å; S920-F925 PolarHBondContact O-N 2.76Å
921	I	95.4	Very high	96.7	Very high	66 Å²	66	49.5 Å²	49.5	34%	0.338	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	134	172.2	-71	178.9	0	0	0	108.8	L835 K904 Y907 F925	L835-I921 HydrophobicContact CD2-CG2 4.25Å; K904-I921 HydrophobicContact CG-CD1 4.19Å; Y907-I921 VanDerWaalsContact CB-CD1 3.5Å; Y907-I921 HydrophobicContact CD1-CD1 4.12Å; Y907-I921 HydrophobicContact CD2-CD1 3.51Å; Y907-I921 HydrophobicContact CD2-CG1 3.94Å; Y907-I921 HydrophobicContact CE2-CD1 4.27Å; Y907-I921 HydrophobicContact CE2-CG1 4.21Å; Y907-I921 HydrophobicContact CG-CD1 3.42Å; Y907-I921 VanDerWaalsContact CG-CD1 3.42Å; Y907-I921 HydrophobicContact CG-CG1 4.17Å; I921-F925 HydrophobicContact CD1-CD2 4.01Å; I921-F925 HydrophobicContact CD1-CE2 4.35Å; I921-F925 HydrophobicContact CD1-CG 4.41Å; I921-F925 HydrophobicContact CG1-CB 3.75Å; I921-F925 HydrophobicContact CG1-CD2 3.74Å; I921-F925 HydrophobicContact CG1-CG 3.82Å
922	P	96.1	Very high	96.7	Very high	39 Å²	39	50.4 Å²	50.4	25%	0.253	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	cis	-92.4	-25.6	5.4	28.9	-23.7	0	0	0	115.5	E832 L835 V926	E832-P922 HydrophobicContact CB-CB 4.15Å; E832-P922 HydrophobicContact CB-CG 3.77Å; E832-P922 HydrophobicContact CG-CB 4.41Å; E832-P922 HydrophobicContact CG-CG 4.11Å; L835-P922 HydrophobicContact CD2-CB 3.71Å; P922-V926 PolarHBondContact O-N 3.28Å; P922-V926 VanDerWaalsContact O-N 3.14Å
923	D	96.2	Very high	96.9	Very high	79 Å²	79	44.6 Å²	44.6	42%	0.422	24%	0.244	S	C	.	.	H	α-helix	trans	-72.4	-52.2	-156.6	-70.4	2.5	0	0	0	114.3	L831 F925 V926 S927	L831-D923 HydrophobicContact CB-CB 4.35Å; L831-D923 WeakPolarHBondContact CB-OD1 3.26Å; L831-D923 HydrophobicContact CD1-CB 3.72Å; D923-F925 VanDerWaalsContact C-N 3.34Å; D923-V926 WeakPolarHBondContact O-CG1 3.43Å; D923-S927 VanDerWaalsContact O-CB 3.27Å; D923-S927 WeakPolarHBondContact O-CB 3.45Å; D923-S927 PolarHBondContact O-N 3.32Å; D923-S927 VanDerWaalsContact O-N 3.15Å; D923-S927 PolarHBondContact O-OG 3.03Å
924	D	97.7	Very high	97	Very high	82 Å²	82	38.8 Å²	38.8	44%	0.439	22%	0.217	S	C	.	.	H	α-helix	trans	-66.7	-41.1	177.6	-51.6	-52.5	0	0	0	110.3	L918 S920 V926 S927 Y928	L918-D924 CarbonylContact O-C 3.54Å; S920-D924 VanDerWaalsContact CB-OD2 3.29Å; S920-D924 WeakPolarHBondContact CB-OD2 3.49Å; S920-D924 PolarHBondContact N-OD2 2.75Å; S920-D924 PolarHBondContact O-N 3.16Å; S920-D924 PolarHBondContact OG-OD2 2.66Å; D924-V926 VanDerWaalsContact C-N 3.34Å; D924-V926 PolarHBondContact O-N 3.26Å; D924-S927 CarbonylContact O-C 3.48Å; D924-S927 WeakPolarHBondContact O-CB 3.38Å; D924-S927 PolarHBondContact O-N 3.32Å; D924-S927 VanDerWaalsContact O-N 3.16Å; D924-Y928 WeakPolarHBondContact O-CB 3.13Å; D924-Y928 PolarHBondContact O-N 3.39Å
925	F	98.3	Very high	97.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58.4	-42.6	-177	-176.8	-75.8	0	0	0	112.1	L835 K903 K904 Y907 L918 S920 I921 D923 F929	L835-F925 HydrophobicContact CD1-CD1 3.6Å; L835-F925 HydrophobicContact CD1-CE1 3.76Å; L835-F925 HydrophobicContact CD2-CD1 3.96Å; L835-F925 HydrophobicContact CG-CD1 4.47Å; K903-F925 HydrophobicContact CB-CE2 4.18Å; K903-F925 HydrophobicContact CB-CZ 4.01Å; K904-F925 HydrophobicContact CB-CE1 4.09Å; K904-F925 HydrophobicContact CB-CZ 3.92Å; Y907-F925 AromaticContact CD2-CD2 3.94Å; Y907-F925 HydrophobicContact CD2-CD2 3.94Å; Y907-F925 HydrophobicContact CD2-CE2 4.11Å; Y907-F925 HydrophobicContact CE2-CD2 4.16Å; L918-F925 HydrophobicContact CB-CD2 4.16Å; L918-F925 HydrophobicContact CD1-CD2 4.29Å; L918-F925 HydrophobicContact CD1-CE2 3.93Å; L918-F925 HydrophobicContact CD2-CD2 4.43Å; L918-F925 HydrophobicContact CD2-CE2 4.3Å; L918-F925 WeakPolarHBondContact O-CA 2.99Å; L918-F925 PolarHBondContact O-N 2.95Å; S920-F925 WeakPolarHBondContact O-CB 3.46Å; S920-F925 PolarHBondContact O-N 2.76Å; I921-F925 HydrophobicContact CD1-CD2 4.01Å; I921-F925 HydrophobicContact CD1-CE2 4.35Å; I921-F925 HydrophobicContact CD1-CG 4.41Å; I921-F925 HydrophobicContact CG1-CB 3.75Å; I921-F925 HydrophobicContact CG1-CD2 3.74Å; I921-F925 HydrophobicContact CG1-CG 3.82Å; D923-F925 VanDerWaalsContact C-N 3.34Å; F925-F929 HydrophobicContact CD1-CD2 4.45Å; F925-F929 HydrophobicContact CD1-CE2 4.22Å; F925-F929 HydrophobicContact CE1-CD2 4.22Å; F925-F929 AromaticContact CE1-CE2 3.73Å; F925-F929 HydrophobicContact CE1-CE2 3.73Å; F925-F929 AromaticContact CZ-CE2 3.92Å; F925-F929 HydrophobicContact CZ-CE2 3.92Å; F925-F929 WeakPolarHBondContact O-CD2 3.4Å
926	V	98.2	Very high	97.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-75.6	-40.4	175.7	72.7	0	0	0	0	111.5	L831 E834 L835 F838 P922 D923 D924 Y928 F929 T930	L831-V926 HydrophobicContact CB-CG1 3.67Å; L831-V926 HydrophobicContact CD2-CG1 3.93Å; L831-V926 HydrophobicContact CG-CG1 4.29Å; E834-V926 HydrophobicContact CB-CG2 4.06Å; L835-V926 HydrophobicContact CB-CB 4.03Å; L835-V926 HydrophobicContact CB-CG2 4.2Å; L835-V926 HydrophobicContact CD1-CB 4.25Å; L835-V926 HydrophobicContact CD1-CG2 4.44Å; F838-V926 HydrophobicContact CD2-CG2 3.99Å; F838-V926 HydrophobicContact CE2-CG2 3.9Å; P922-V926 PolarHBondContact O-N 3.28Å; P922-V926 VanDerWaalsContact O-N 3.14Å; D923-V926 WeakPolarHBondContact O-CG1 3.43Å; D924-V926 VanDerWaalsContact C-N 3.34Å; D924-V926 PolarHBondContact O-N 3.26Å; V926-Y928 PolarHBondContact O-N 2.74Å; V926-F929 PolarHBondContact O-N 3.33Å; V926-T930 HydrophobicContact CG2-CG2 4.17Å; V926-T930 PolarHBondContact O-N 3.36Å; V926-T930 PolarHBondContact O-OG1 3.47Å
927	S	97.9	Very high	97.4	Very high	43 Å²	43	33.2 Å²	33.2	30%	0.301	19%	0.191	S	C	.	.	H	α-helix	trans	-58.1	-33.7	176.8	-60.1	0	0	0	0	112.3	D923 D924 F929 T930 S931	D923-S927 VanDerWaalsContact O-CB 3.27Å; D923-S927 WeakPolarHBondContact O-CB 3.45Å; D923-S927 PolarHBondContact O-N 3.32Å; D923-S927 VanDerWaalsContact O-N 3.15Å; D923-S927 PolarHBondContact O-OG 3.03Å; D924-S927 CarbonylContact O-C 3.48Å; D924-S927 WeakPolarHBondContact O-CB 3.38Å; D924-S927 PolarHBondContact O-N 3.32Å; D924-S927 VanDerWaalsContact O-N 3.16Å; S927-F929 VanDerWaalsContact C-N 3.34Å; S927-F929 PolarHBondContact O-N 3.49Å; S927-T930 WeakPolarHBondContact CA-OG1 3.33Å; S927-S931 WeakPolarHBondContact O-CB 3.44Å; S927-S931 PolarHBondContact O-N 2.94Å; S927-S931 PolarHBondContact O-OG 3.3Å
928	Y	98.4	Very high	97.4	Very high	11 Å²	11	31.6 Å²	31.6	4%	0.043	18%	0.18	C	C	.	.	H	α-helix	trans	-56.8	-44.3	173.4	173	-85.8	0	0	0	112.1	I874 T875 L878 T917 L918 D924 V926 S931 R932	I874-Y928 WeakPolarHBondContact CB-OH 3.45Å; I874-Y928 HydrophobicContact CG2-CE1 4.32Å; T875-Y928 HydrophobicContact CG2-CE2 3.75Å; T875-Y928 PolarHBondContact N-OH 3.26Å; T875-Y928 PolarHBondContact OG1-OH 2.87Å; T875-Y928 VanDerWaalsContact OG1-OH 3.07Å; L878-Y928 HydrophobicContact CD2-CE1 3.6Å; L878-Y928 WeakPolarHBondContact CD2-OH 3.14Å; T917-Y928 WeakPolarHBondContact O-CD2 3.39Å; T917-Y928 WeakPolarHBondContact O-CE2 3.29Å; L918-Y928 HydrophobicContact CD2-CD1 3.76Å; L918-Y928 HydrophobicContact CD2-CD2 4.49Å; L918-Y928 HydrophobicContact CD2-CE1 3.9Å; L918-Y928 HydrophobicContact CD2-CG 4.1Å; D924-Y928 WeakPolarHBondContact O-CB 3.13Å; D924-Y928 PolarHBondContact O-N 3.39Å; V926-Y928 PolarHBondContact O-N 2.74Å; Y928-S931 PolarHBondContact O-OG 3.49Å; Y928-R932 VanDerWaalsContact O-CD 3.27Å; Y928-R932 WeakPolarHBondContact O-CD 3.45Å; Y928-R932 WeakPolarHBondContact O-CG 3.35Å; Y928-R932 PolarHBondContact O-NH1 2.89Å
929	F	98.4	Very high	97.5	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.018	19%	0.187	C	C	.	.	H	α-helix	trans	-81.8	-42.3	-179.4	-68.6	-76.9	0	0	0	112.1	L878 L896 M900 L918 F925 V926 S927 R932 F933	L878-F929 HydrophobicContact CD2-CE1 4.29Å; L878-F929 HydrophobicContact CD2-CZ 4.17Å; L896-F929 HydrophobicContact CD1-CD1 4.26Å; L896-F929 HydrophobicContact CD1-CE1 4.4Å; M900-F929 HydrophobicContact CB-CE2 4.39Å; M900-F929 HydrophobicContact CB-CZ 4.47Å; M900-F929 HydrophobicContact CE-CB 3.79Å; M900-F929 HydrophobicContact CE-CD2 3.96Å; M900-F929 HydrophobicContact CE-CG 3.85Å; M900-F929 HydrophobicContact CG-CD1 3.6Å; M900-F929 HydrophobicContact CG-CD2 3.77Å; M900-F929 HydrophobicContact CG-CE1 3.59Å; M900-F929 HydrophobicContact CG-CE2 3.79Å; M900-F929 HydrophobicContact CG-CG 3.71Å; M900-F929 HydrophobicContact CG-CZ 3.7Å; M900-F929 HydrophobicContact SD-CB 4.11Å; M900-F929 HydrophobicContact SD-CD1 3.99Å; M900-F929 HydrophobicContact SD-CD2 4.33Å; M900-F929 HydrophobicContact SD-CG 3.87Å; L918-F929 HydrophobicContact CD2-CE2 3.95Å; L918-F929 HydrophobicContact CD2-CZ 3.96Å; F925-F929 HydrophobicContact CD1-CD2 4.45Å; F925-F929 HydrophobicContact CD1-CE2 4.22Å; F925-F929 HydrophobicContact CE1-CD2 4.22Å; F925-F929 AromaticContact CE1-CE2 3.73Å; F925-F929 HydrophobicContact CE1-CE2 3.73Å; F925-F929 AromaticContact CZ-CE2 3.92Å; F925-F929 HydrophobicContact CZ-CE2 3.92Å; F925-F929 WeakPolarHBondContact O-CD2 3.4Å; V926-F929 PolarHBondContact O-N 3.33Å; S927-F929 VanDerWaalsContact C-N 3.34Å; S927-F929 PolarHBondContact O-N 3.49Å; F929-R932 PolarHBondContact O-N 3.07Å; F929-R932 VanDerWaalsContact O-N 3.16Å; F929-F933 WeakPolarHBondContact O-CD2 3.27Å; F929-F933 PolarHBondContact O-N 3.23Å
930	T	97.8	Very high	97.6	Very high	7 Å²	7	32.2 Å²	32.2	4%	0.043	18%	0.178	C	C	.	.	H	α-helix	trans	-69.8	-34.8	-177.3	56.3	0	0	0	0	112.6	H796 F838 V926 S927 R932 F933 P934	H796-T930 VanDerWaalsContact CE1-CG2 3.44Å; H796-T930 WeakPolarHBondContact CE1-CG2 3.34Å; H796-T930 WeakPolarHBondContact ND1-CB 3.4Å; F838-T930 HydrophobicContact CE2-CG2 4.1Å; F838-T930 HydrophobicContact CZ-CG2 4.4Å; V926-T930 HydrophobicContact CG2-CG2 4.17Å; V926-T930 PolarHBondContact O-N 3.36Å; V926-T930 PolarHBondContact O-OG1 3.47Å; S927-T930 WeakPolarHBondContact CA-OG1 3.33Å; T930-R932 VanDerWaalsContact C-N 3.27Å; T930-R932 PolarHBondContact O-N 3.37Å; T930-F933 CarbonylContact O-C 3.47Å; T930-P934 WeakPolarHBondContact O-CA 3.42Å
931	S	97.1	Very high	97.7	Very high	78 Å²	78	30.1 Å²	30.1	55%	0.545	16%	0.161	S	C	.	.	H	α-helix	trans	-63.4	-29.4	170.5	57.9	0	0	0	0	113.7	S927 Y928	S927-S931 WeakPolarHBondContact O-CB 3.44Å; S927-S931 PolarHBondContact O-N 2.94Å; S927-S931 PolarHBondContact O-OG 3.3Å; Y928-S931 PolarHBondContact O-OG 3.49Å
932	R	97.5	Very high	97.7	Very high	73 Å²	73	29.9 Å²	29.9	28%	0.275	16%	0.16	S	C	.	.	H	α-helix	trans	-89.3	-35.5	-179.5	-71.9	170.1	178.1	72.2	1.7	112.5	K867 H873 Y928 F929 T930 P934	K867-R932 WeakPolarHBondContact CE-O 3.37Å; K867-R932 PolarHBondContact NZ-O 2.95Å; H873-R932 WeakPolarHBondContact O-CD 3.42Å; Y928-R932 VanDerWaalsContact O-CD 3.27Å; Y928-R932 WeakPolarHBondContact O-CD 3.45Å; Y928-R932 WeakPolarHBondContact O-CG 3.35Å; Y928-R932 PolarHBondContact O-NH1 2.89Å; F929-R932 PolarHBondContact O-N 3.07Å; F929-R932 VanDerWaalsContact O-N 3.16Å; T930-R932 VanDerWaalsContact C-N 3.27Å; T930-R932 PolarHBondContact O-N 3.37Å; R932-P934 WeakPolarHBondContact O-CD 3.38Å
933	F	98.1	Very high	97.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-125.1	72.3	-177.4	-52.7	-71.4	0	0	0	109.8	W870 H873 I874 L896 F929 T930 H935 L936	W870-F933 HydrophobicContact CB-CD1 4.48Å; W870-F933 HydrophobicContact CB-CE1 3.58Å; W870-F933 HydrophobicContact CB-CE2 4.33Å; W870-F933 HydrophobicContact CB-CZ 3.5Å; W870-F933 VanDerWaalsContact CB-CZ 3.5Å; H873-F933 HydrophobicContact CB-CE1 3.74Å; H873-F933 HydrophobicContact CB-CZ 3.71Å; I874-F933 HydrophobicContact CG2-CE2 4.07Å; I874-F933 HydrophobicContact CG2-CZ 4.21Å; L896-F933 HydrophobicContact CD1-CE2 4.28Å; L896-F933 HydrophobicContact CD2-CD1 4.41Å; L896-F933 HydrophobicContact CD2-CD2 3.96Å; L896-F933 HydrophobicContact CD2-CE2 4.29Å; L896-F933 HydrophobicContact CD2-CG 4.03Å; F929-F933 WeakPolarHBondContact O-CD2 3.27Å; F929-F933 PolarHBondContact O-N 3.23Å; T930-F933 CarbonylContact O-C 3.47Å; F933-H935 PolarHBondContact O-N 3.49Å; F933-H935 VanDerWaalsContact O-N 3.15Å; F933-L936 HydrophobicContact CB-CB 3.89Å; F933-L936 HydrophobicContact CB-CD2 4.26Å; F933-L936 WeakPolarHBondContact O-CB 3.42Å; F933-L936 PolarHBondContact O-N 3.16Å
934	P	97.4	Very high	97.7	Very high	6 Å²	6	24.4 Å²	24.4	4%	0.039	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-19.4	-165.6	29.7	-39.8	0	0	0	114.4	D794 H796 I799 T930 R932	D794-P934 WeakPolarHBondContact O-CB 3.38Å; D794-P934 WeakPolarHBondContact O-CG 3.2Å; H796-P934 HydrophobicContact CB-CB 4.46Å; I799-P934 HydrophobicContact CD1-CB 3.73Å; I799-P934 HydrophobicContact CD1-CG 4.35Å; I799-P934 WeakPolarHBondContact CD1-O 3.41Å; T930-P934 WeakPolarHBondContact O-CA 3.42Å; R932-P934 WeakPolarHBondContact O-CD 3.38Å
935	H	97.7	Very high	97.5	Very high	82 Å²	82	27.6 Å²	27.6	38%	0.38	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-6.7	172.4	-57.1	-70.9	0	0	0	113.8	S793 V865 F933 L937 M938 H939	S793-H935 PolarHBondContact O-CE1 2.86Å; V865-H935 HydrophobicContact CG1-CB 4.28Å; V865-H935 HydrophobicContact CG2-CB 4.27Å; F933-H935 PolarHBondContact O-N 3.49Å; F933-H935 VanDerWaalsContact O-N 3.15Å; H935-L937 PolarHBondContact O-N 3.36Å; H935-M938 PolarHBondContact O-N 2.86Å; H935-H939 WeakPolarHBondContact O-CB 3.03Å; H935-H939 PolarHBondContact O-N 2.76Å
936	L	98.4	Very high	97.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.6	-45.5	-165.8	-178.1	62.6	0	0	0	113.1	F838 V865 V893 L896 L897 M900 F933 T940	F838-L936 HydrophobicContact CE1-CD2 4.24Å; F838-L936 HydrophobicContact CE1-CG 3.86Å; F838-L936 HydrophobicContact CZ-CD2 4.24Å; F838-L936 HydrophobicContact CZ-CG 4.07Å; V865-L936 HydrophobicContact CG1-CB 4.19Å; V865-L936 HydrophobicContact CG1-CD1 4.04Å; V893-L936 HydrophobicContact CG1-CD1 4Å; L896-L936 HydrophobicContact CD2-CD1 4.04Å; L896-L936 HydrophobicContact CD2-CD2 3.89Å; L896-L936 HydrophobicContact CG-CD2 4.34Å; L897-L936 HydrophobicContact CD2-CD1 4.24Å; L897-L936 HydrophobicContact CD2-CD2 4.37Å; L897-L936 HydrophobicContact CD2-CG 4.43Å; M900-L936 HydrophobicContact CE-CD2 4.23Å; M900-L936 HydrophobicContact SD-CD2 3.74Å; F933-L936 HydrophobicContact CB-CB 3.89Å; F933-L936 HydrophobicContact CB-CD2 4.26Å; F933-L936 WeakPolarHBondContact O-CB 3.42Å; F933-L936 PolarHBondContact O-N 3.16Å; L936-T940 WeakPolarHBondContact O-CB 3.45Å; L936-T940 PolarHBondContact O-N 3.15Å; L936-T940 PolarHBondContact O-OG1 2.92Å
937	L	98.5	Very high	96.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.5	-51.3	178.6	-178.6	57.9	0	0	0	111.2	V800 P826 W829 E834 F837 F838 H935 H939 T940 Y941	V800-L937 HydrophobicContact CG2-CD2 4.47Å; P826-L937 HydrophobicContact CB-CD2 3.99Å; P826-L937 HydrophobicContact CB-CG 4.41Å; W829-L937 HydrophobicContact CZ3-CD1 4.03Å; E834-L937 HydrophobicContact CB-CD2 4.4Å; E834-L937 VanDerWaalsContact CD-CD2 3.41Å; E834-L937 HydrophobicContact CG-CD2 3.69Å; E834-L937 WeakPolarHBondContact OE1-CD2 3.31Å; F837-L937 HydrophobicContact CD1-CD1 3.54Å; F837-L937 HydrophobicContact CE1-CD1 3.93Å; F838-L937 HydrophobicContact CE1-CB 4.3Å; F838-L937 HydrophobicContact CE1-CD1 4.04Å; F838-L937 HydrophobicContact CE2-CD1 4.36Å; F838-L937 HydrophobicContact CZ-CB 3.71Å; F838-L937 HydrophobicContact CZ-CD1 3.86Å; F838-L937 HydrophobicContact CZ-CG 4.36Å; H935-L937 PolarHBondContact O-N 3.36Å; L937-H939 PolarHBondContact O-N 3.22Å; L937-T940 PolarHBondContact O-N 3.45Å; L937-Y941 WeakPolarHBondContact O-CB 3.3Å; L937-Y941 PolarHBondContact O-N 2.66Å
938	M	97.8	Very high	96.6	Very high	10 Å²	10	30.5 Å²	30.5	5%	0.049	15%	0.152	C	C	.	.	H	α-helix	trans	-62.6	-45.3	-174.5	-157.3	62.4	-108	0	0	111.6	I799 V800 D803 H825 H935 Y941 L942	I799-M938 HydrophobicContact CG2-CB 4.2Å; I799-M938 HydrophobicContact CG2-CG 4.31Å; V800-M938 HydrophobicContact CG2-SD 4.24Å; D803-M938 HydrophobicContact CB-CE 4.05Å; D803-M938 HydrophobicContact CB-CG 4Å; D803-M938 HydrophobicContact CB-SD 3.5Å; D803-M938 WeakPolarHBondContact CB-SD 3.08Å; D803-M938 VanDerWaalsContact CG-SD 3.5Å; D803-M938 WeakPolarHBondContact OD2-CE 3.46Å; H825-M938 VanDerWaalsContact CE1-SD 3.53Å; H825-M938 WeakPolarHBondContact NE2-CE 3.28Å; H935-M938 PolarHBondContact O-N 2.86Å; M938-Y941 HydrophobicContact CE-CD1 3.45Å; M938-Y941 VanDerWaalsContact CE-CD1 3.45Å; M938-Y941 HydrophobicContact CE-CE1 4.15Å; M938-Y941 HydrophobicContact CE-CG 4.26Å; M938-Y941 PolarHBondContact O-N 3.08Å; M938-L942 HydrophobicContact CE-CD1 4.28Å; M938-L942 HydrophobicContact CE-CD2 4.2Å; M938-L942 HydrophobicContact CE-CG 3.89Å; M938-L942 WeakPolarHBondContact O-CG 3.31Å; M938-L942 PolarHBondContact O-N 2.88Å
939	H	98.1	Very high	96.3	Very high	34 Å²	34	34.5 Å²	34.5	16%	0.157	18%	0.179	C	C	.	.	H	α-helix	trans	-58.9	-47.7	173.5	176.8	78.4	0	0	0	112.3	L858 R860 V865 H935 L937 L942 A943	L858-H939 PolarHBondContact O-NE2 3.02Å; R860-H939 PolarHBondContact O-CE1 3.48Å; V865-H939 HydrophobicContact CG1-CB 4.34Å; V865-H939 HydrophobicContact CG2-CB 3.91Å; H935-H939 WeakPolarHBondContact O-CB 3.03Å; H935-H939 PolarHBondContact O-N 2.76Å; L937-H939 PolarHBondContact O-N 3.22Å; H939-L942 PolarHBondContact O-N 2.99Å; H939-A943 WeakPolarHBondContact O-CB 3.49Å; H939-A943 PolarHBondContact O-N 2.77Å
940	T	98.4	Very high	96.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.7	-41	-179.8	-56	0	0	0	0	111.5	F837 V841 L858 L897 L936 L937 A943 M944	F837-T940 HydrophobicContact CE1-CG2 3.73Å; F837-T940 HydrophobicContact CZ-CG2 4.16Å; V841-T940 HydrophobicContact CB-CG2 4.26Å; V841-T940 HydrophobicContact CG1-CG2 3.75Å; V841-T940 HydrophobicContact CG2-CG2 4.03Å; L858-T940 HydrophobicContact CD1-CG2 4.15Å; L897-T940 HydrophobicContact CD1-CG2 3.88Å; L936-T940 WeakPolarHBondContact O-CB 3.45Å; L936-T940 PolarHBondContact O-N 3.15Å; L936-T940 PolarHBondContact O-OG1 2.92Å; L937-T940 PolarHBondContact O-N 3.45Å; T940-A943 PolarHBondContact O-N 3.2Å; T940-M944 HydrophobicContact CG2-CG 4.12Å; T940-M944 VanDerWaalsContact O-CB 3.29Å; T940-M944 WeakPolarHBondContact O-CB 3.4Å; T940-M944 VanDerWaalsContact O-CG 3.27Å; T940-M944 WeakPolarHBondContact O-CG 3.4Å; T940-M944 PolarHBondContact O-N 2.86Å
941	Y	97.8	Very high	95.9	Very high	18 Å²	18	47.3 Å²	47.3	7%	0.071	23%	0.229	C	C	.	.	H	α-helix	trans	-62.2	-43.7	176.5	176.6	-98.2	0	0	0	112.5	P826 W829 L937 M938 R945 Y957	P826-Y941 HydrophobicContact CG-CD1 4.12Å; P826-Y941 HydrophobicContact CG-CD2 3.62Å; P826-Y941 HydrophobicContact CG-CE1 4.33Å; P826-Y941 HydrophobicContact CG-CE2 3.88Å; P826-Y941 HydrophobicContact CG-CG 3.73Å; W829-Y941 AromaticContact CH2-CD2 3.79Å; W829-Y941 HydrophobicContact CH2-CD2 3.79Å; W829-Y941 HydrophobicContact CH2-CE2 4.14Å; W829-Y941 HydrophobicContact CZ2-CD2 4.07Å; W829-Y941 AromaticContact CZ2-CE2 3.94Å; W829-Y941 HydrophobicContact CZ2-CE2 3.94Å; L937-Y941 WeakPolarHBondContact O-CB 3.3Å; L937-Y941 PolarHBondContact O-N 2.66Å; M938-Y941 HydrophobicContact CE-CD1 3.45Å; M938-Y941 VanDerWaalsContact CE-CD1 3.45Å; M938-Y941 HydrophobicContact CE-CE1 4.15Å; M938-Y941 HydrophobicContact CE-CG 4.26Å; M938-Y941 PolarHBondContact O-N 3.08Å; Y941-R945 PolarHBondContact O-N 2.75Å; Y941-Y957 HydrophobicContact CD1-CE1 4.46Å; Y941-Y957 HydrophobicContact CD2-CD1 4.34Å; Y941-Y957 AromaticContact CD2-CE1 3.54Å; Y941-Y957 HydrophobicContact CD2-CE1 3.54Å; Y941-Y957 AromaticContact CD2-CZ 3.77Å; Y941-Y957 HydrophobicContact CE1-CE1 4.25Å; Y941-Y957 AromaticContact CE2-CD1 3.6Å; Y941-Y957 HydrophobicContact CE2-CD1 3.6Å; Y941-Y957 AromaticContact CE2-CE1 3.24Å; Y941-Y957 HydrophobicContact CE2-CE1 3.24Å; Y941-Y957 HydrophobicContact CE2-CG 4.46Å; Y941-Y957 AromaticContact CE2-CZ 3.86Å; Y941-Y957 HydrophobicContact CG-CE1 4.17Å; Y941-Y957 AromaticContact CZ-CD1 3.84Å; Y941-Y957 AromaticContact CZ-CE1 3.66Å; Y941-Y957 PolarHBondContact O-OH 3.5Å
942	L	96.1	Very high	95.7	Very high	62 Å²	62	46.9 Å²	46.9	33%	0.325	22%	0.224	S	C	.	.	H	α-helix	trans	-69.1	-38.3	176.8	-68	173.5	0	0	0	112.2	M938 H939 R945	M938-L942 HydrophobicContact CE-CD1 4.28Å; M938-L942 HydrophobicContact CE-CD2 4.2Å; M938-L942 HydrophobicContact CE-CG 3.89Å; M938-L942 WeakPolarHBondContact O-CG 3.31Å; M938-L942 PolarHBondContact O-N 2.88Å; H939-L942 PolarHBondContact O-N 2.99Å; L942-R945 WeakPolarHBondContact O-CB 3.29Å
943	A	96.1	Very high	95.6	Very high	2 Å²	2	43.4 Å²	43.4	2%	0.017	21%	0.211	C	C	.	.	H	α-helix	trans	-68.1	-42.1	177.6	0	0	0	0	0	113	Q857 L858 H939 T940 R945	Q857-A943 HydrophobicContact CG-CB 4.15Å; L858-A943 HydrophobicContact CB-CB 4.34Å; L858-A943 HydrophobicContact CD1-CB 3.95Å; H939-A943 WeakPolarHBondContact O-CB 3.49Å; H939-A943 PolarHBondContact O-N 2.77Å; T940-A943 PolarHBondContact O-N 3.2Å; A943-R945 VanDerWaalsContact C-N 3.29Å; A943-R945 PolarHBondContact O-N 2.89Å
944	M	96.3	Very high	95.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-83	-0.2	-176.5	-65	-62.5	-62.5	0	0	114	F837 V841 R844 I845 I854 T940 T946 C947 F953 Y957	F837-M944 HydrophobicContact CZ-CB 4.32Å; V841-M944 HydrophobicContact CB-CE 4.49Å; V841-M944 HydrophobicContact CB-CG 4.41Å; V841-M944 HydrophobicContact CG1-CE 4.04Å; V841-M944 HydrophobicContact CG1-CG 3.73Å; V841-M944 HydrophobicContact CG1-SD 3.86Å; V841-M944 HydrophobicContact CG2-CB 4.31Å; V841-M944 HydrophobicContact CG2-CE 4.22Å; V841-M944 HydrophobicContact CG2-CG 3.75Å; R844-M944 HydrophobicContact CB-CE 4.31Å; R844-M944 HydrophobicContact CG-CE 3.9Å; I845-M944 HydrophobicContact CG2-CE 4.21Å; I845-M944 HydrophobicContact CG2-SD 4.13Å; I854-M944 HydrophobicContact CG2-CE 4.09Å; I854-M944 HydrophobicContact CG2-SD 3.6Å; T940-M944 HydrophobicContact CG2-CG 4.12Å; T940-M944 VanDerWaalsContact O-CB 3.29Å; T940-M944 WeakPolarHBondContact O-CB 3.4Å; T940-M944 VanDerWaalsContact O-CG 3.27Å; T940-M944 WeakPolarHBondContact O-CG 3.4Å; T940-M944 PolarHBondContact O-N 2.86Å; M944-T946 PolarHBondContact O-N 2.9Å; M944-C947 HydrophobicContact CE-CB 4.14Å; M944-C947 WeakPolarHBondContact O-CA 3.44Å; M944-C947 WeakPolarHBondContact O-CB 3.33Å; M944-C947 PolarHBondContact O-N 3.42Å; M944-F953 HydrophobicContact CE-CE1 4.41Å; M944-F953 HydrophobicContact CE-CE2 4.32Å; M944-F953 HydrophobicContact CE-CZ 3.88Å; M944-Y957 VanDerWaalsContact C-OH 3.31Å; M944-Y957 WeakPolarHBondContact CB-OH 3.38Å
945	R	92.9	Very high	95.2	Very high	149 Å²	149	49.3 Å²	49.3	56%	0.562	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-57.4	-22.5	177.3	-172.4	171.2	64.2	-178.9	-1	113.8	Y941 L942 A943 C947 A948 Y957	Y941-R945 PolarHBondContact O-N 2.75Å; L942-R945 WeakPolarHBondContact O-CB 3.29Å; A943-R945 VanDerWaalsContact C-N 3.29Å; A943-R945 PolarHBondContact O-N 2.89Å; R945-C947 VanDerWaalsContact C-N 3.27Å; R945-C947 PolarHBondContact O-N 2.81Å; R945-A948 WeakPolarHBondContact O-CB 3.43Å; R945-A948 PolarHBondContact O-N 3.3Å; R945-Y957 HydrophobicContact CB-CE1 4Å; R945-Y957 HydrophobicContact CG-CD1 4.39Å; R945-Y957 HydrophobicContact CG-CE1 4.21Å; R945-Y957 PolarHBondContact N-OH 2.91Å
946	T	89.9	Confident	95.2	Very high	96 Å²	96	45.8 Å²	45.8	59%	0.589	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-67.6	-25.1	171.6	50.6	0	0	0	0	113.4	M944	M944-T946 PolarHBondContact O-N 2.9Å
947	C	93.4	Very high	95	Very high	1 Å²	1	46 Å²	46	1%	0.007	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-89.4	-1.4	178.4	-54.5	0	0	0	0	112.7	M944 R945 P949 E950 F953	M944-C947 HydrophobicContact CE-CB 4.14Å; M944-C947 WeakPolarHBondContact O-CA 3.44Å; M944-C947 WeakPolarHBondContact O-CB 3.33Å; M944-C947 PolarHBondContact O-N 3.42Å; R945-C947 VanDerWaalsContact C-N 3.27Å; R945-C947 PolarHBondContact O-N 2.81Å; C947-P949 VanDerWaalsContact C-N 3.35Å; C947-E950 HydrophobicContact CB-CG 4.49Å; C947-E950 VanDerWaalsContact O-CB 3.31Å; C947-E950 WeakPolarHBondContact O-CB 3.31Å; C947-E950 WeakPolarHBondContact O-CG 3.44Å; C947-E950 PolarHBondContact O-N 2.78Å; C947-F953 HydrophobicContact CB-CD2 3.67Å; C947-F953 HydrophobicContact CB-CE2 3.93Å; C947-F953 HydrophobicContact CB-CG 4.27Å; C947-F953 WeakPolarHBondContact O-CB 3.38Å
948	A	92.6	Very high	94.4	Very high	8 Å²	8	46.8 Å²	46.8	7%	0.066	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-38.1	179.9	0	0	0	0	0	116.7	R945 E950 Y957	R945-A948 WeakPolarHBondContact O-CB 3.43Å; R945-A948 PolarHBondContact O-N 3.3Å; A948-E950 VanDerWaalsContact C-N 3.31Å; A948-E950 PolarHBondContact O-N 2.89Å; A948-Y957 HydrophobicContact CB-CD1 4.23Å; A948-Y957 HydrophobicContact CB-CD2 3.77Å; A948-Y957 HydrophobicContact CB-CG 3.6Å
949	P	92.8	Very high	93.4	Very high	94 Å²	94	49.7 Å²	49.7	61%	0.61	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-8.7	177.4	31.8	-36.5	0	0	0	114.2	C947	C947-P949 VanDerWaalsContact C-N 3.35Å
950	E	93.6	Very high	91.3	Very high	57 Å²	57	50.4 Å²	50.4	27%	0.266	27%	0.265	S	S	.	.	S	Bend	trans	-74	143.5	176.9	-56.7	-179	179.2	0	0	111	R844 C947 A948 P952 F953 L954	R844-E950 VanDerWaalsContact CD-OE2 3.25Å; R844-E950 WeakPolarHBondContact CD-OE2 3.12Å; R844-E950 IonicContact CZ-OE1 2.68Å; R844-E950 VanDerWaalsContact CZ-OE1 3.32Å; R844-E950 IonicContact CZ-OE2 3.77Å; R844-E950 VanDerWaalsContact NE-CD 3.28Å; R844-E950 IonicContact NE-OE1 2.61Å; R844-E950 PolarHBondContact NE-OE1 3.34Å; R844-E950 IonicContact NE-OE2 3.62Å; R844-E950 PolarHBondContact NE-OE2 2.93Å; R844-E950 IonicContact NH2-OE1 3.42Å; R844-E950 PolarHBondContact NH2-OE1 3.11Å; R844-E950 IonicContact NH2-OE2 3.49Å; C947-E950 HydrophobicContact CB-CG 4.49Å; C947-E950 VanDerWaalsContact O-CB 3.31Å; C947-E950 WeakPolarHBondContact O-CB 3.31Å; C947-E950 WeakPolarHBondContact O-CG 3.44Å; C947-E950 PolarHBondContact O-N 2.78Å; A948-E950 VanDerWaalsContact C-N 3.31Å; A948-E950 PolarHBondContact O-N 2.89Å; E950-P952 VanDerWaalsContact C-CD 3.42Å; E950-P952 VanDerWaalsContact O-N 3.15Å; E950-F953 HydrophobicContact CB-CD2 4.19Å; E950-F953 PolarHBondContact O-N 2.98Å; E950-L954 PolarHBondContact O-N 2.76Å
951	R	92.9	Very high	89	Confident	224 Å²	224	56.6 Å²	56.6	85%	0.845	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-40.2	-174.3	-174.8	173.5	177.5	158.5	0.1	115.4	F953	R951-F953 PolarHBondContact O-N 3.46Å
952	P	93.6	Very high	86.8	Confident	68 Å²	68	57.8 Å²	57.8	44%	0.442	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-25.2	176.6	-21.7	34.7	0	0	0	113.9	E950 P955 Y956	E950-P952 VanDerWaalsContact C-CD 3.42Å; E950-P952 VanDerWaalsContact O-N 3.15Å; P952-P955 WeakPolarHBondContact O-CD 3.28Å; P952-Y956 WeakPolarHBondContact O-CE2 3.44Å
953	F	95.6	Very high	84.5	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-10.5	-170.3	-67.1	-69.8	0	0	0	114.9	F837 D840 V841 R844 M944 C947 E950 R951 P955 Y956 Y957	F837-F953 HydrophobicContact CE2-CD1 4.24Å; F837-F953 HydrophobicContact CE2-CE1 4.24Å; D840-F953 HydrophobicContact CB-CE1 4.31Å; V841-F953 HydrophobicContact CG2-CE1 3.72Å; V841-F953 HydrophobicContact CG2-CZ 4.21Å; R844-F953 HydrophobicContact CB-CE2 3.91Å; R844-F953 HydrophobicContact CB-CZ 3.78Å; R844-F953 HydrophobicContact CG-CE2 3.74Å; R844-F953 HydrophobicContact CG-CZ 4.03Å; M944-F953 HydrophobicContact CE-CE1 4.41Å; M944-F953 HydrophobicContact CE-CE2 4.32Å; M944-F953 HydrophobicContact CE-CZ 3.88Å; C947-F953 HydrophobicContact CB-CD2 3.67Å; C947-F953 HydrophobicContact CB-CE2 3.93Å; C947-F953 HydrophobicContact CB-CG 4.27Å; C947-F953 WeakPolarHBondContact O-CB 3.38Å; E950-F953 HydrophobicContact CB-CD2 4.19Å; E950-F953 PolarHBondContact O-N 2.98Å; R951-F953 PolarHBondContact O-N 3.46Å; F953-P955 VanDerWaalsContact C-N 3.3Å; F953-Y956 HydrophobicContact CD1-CD2 4.06Å; F953-Y956 PolarHBondContact O-N 3.32Å; F953-Y957 HydrophobicContact CB-CD2 3.98Å; F953-Y957 HydrophobicContact CB-CE2 4.16Å; F953-Y957 HydrophobicContact CD1-CE2 4.2Å; F953-Y957 HydrophobicContact CG-CE2 4.48Å; F953-Y957 WeakPolarHBondContact O-CD2 3.23Å; F953-Y957 PolarHBondContact O-N 3.15Å
954	L	92.9	Very high	81.7	Confident	67 Å²	67	64.4 Å²	64.4	35%	0.351	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-29.9	173.1	-58.1	176.5	0	0	0	115.5	K824 E950 Y956	K824-L954 PolarHBondContact NZ-O 3.49Å; E950-L954 PolarHBondContact O-N 2.76Å; L954-Y956 VanDerWaalsContact C-N 3.28Å; L954-Y956 PolarHBondContact O-N 3.07Å
955	P	94.9	Very high	79.1	Confident	64 Å²	64	70.6 Å²	70.6	42%	0.416	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-23.3	173.3	-22.2	35.6	0	0	0	114.4	K833 P952 F953	K833-P955 PolarHBondContact NZ-O 3.47Å; P952-P955 WeakPolarHBondContact O-CD 3.28Å; F953-P955 VanDerWaalsContact C-N 3.3Å
956	Y	96.1	Very high	76.5	Confident	8 Å²	8	66.1 Å²	66.1	3%	0.031	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-28.1	-170	-51.9	-70.6	0	0	0	113.5	W829 K833 Q836 F837 D840 P952 F953 L954	W829-Y956 HydrophobicContact CD2-CD1 4.36Å; W829-Y956 HydrophobicContact CE3-CD1 4.2Å; W829-Y956 AromaticContact CH2-CD1 3.45Å; W829-Y956 HydrophobicContact CH2-CD1 3.45Å; W829-Y956 VanDerWaalsContact CH2-CD1 3.45Å; W829-Y956 HydrophobicContact CH2-CE1 4.44Å; W829-Y956 AromaticContact CH2-CG 3.89Å; W829-Y956 HydrophobicContact CH2-CG 3.89Å; W829-Y956 AromaticContact CZ2-CD1 3.63Å; W829-Y956 HydrophobicContact CZ2-CD1 3.63Å; W829-Y956 HydrophobicContact CZ2-CG 4.06Å; W829-Y956 AromaticContact CZ3-CD1 3.76Å; W829-Y956 HydrophobicContact CZ3-CD1 3.76Å; W829-Y956 HydrophobicContact CZ3-CE1 4.35Å; K833-Y956 HydrophobicContact CG-CD1 4.31Å; K833-Y956 HydrophobicContact CG-CE1 3.82Å; Q836-Y956 WeakPolarHBondContact CG-OH 3.43Å; F837-Y956 HydrophobicContact CB-CD1 3.97Å; F837-Y956 HydrophobicContact CB-CE1 3.6Å; F837-Y956 AromaticContact CD2-CD1 3.83Å; F837-Y956 HydrophobicContact CD2-CD1 3.83Å; F837-Y956 AromaticContact CD2-CD2 3.78Å; F837-Y956 HydrophobicContact CD2-CD2 3.78Å; F837-Y956 HydrophobicContact CD2-CE1 4.13Å; F837-Y956 HydrophobicContact CD2-CE2 4.08Å; F837-Y956 AromaticContact CD2-CG 3.66Å; F837-Y956 HydrophobicContact CD2-CG 3.66Å; F837-Y956 HydrophobicContact CE2-CD2 4.44Å; F837-Y956 HydrophobicContact CE2-CG 4.33Å; F837-Y956 HydrophobicContact CG-CD1 4.27Å; F837-Y956 HydrophobicContact CG-CE1 4.34Å; F837-Y956 PolarHBondContact N-OH 2.92Å; D840-Y956 HydrophobicContact CB-CE2 4.48Å; D840-Y956 WeakPolarHBondContact OD2-CE2 3.28Å; D840-Y956 PolarHBondContact OD2-OH 3.48Å; P952-Y956 WeakPolarHBondContact O-CE2 3.44Å; F953-Y956 HydrophobicContact CD1-CD2 4.06Å; F953-Y956 PolarHBondContact O-N 3.32Å; L954-Y956 VanDerWaalsContact C-N 3.28Å; L954-Y956 PolarHBondContact O-N 3.07Å
957	Y	94.3	Very high	73.7	Confident	4 Å²	4	68.2 Å²	68.2	2%	0.016	35%	0.35	C	S	.	.	S	Bend	trans	-119.3	159.3	-177.5	-59.6	-81.6	0	0	0	112.7	F837 Y941 M944 R945 A948 F953	F837-Y957 HydrophobicContact CE2-CE2 4.29Å; Y941-Y957 HydrophobicContact CD1-CE1 4.46Å; Y941-Y957 HydrophobicContact CD2-CD1 4.34Å; Y941-Y957 AromaticContact CD2-CE1 3.54Å; Y941-Y957 HydrophobicContact CD2-CE1 3.54Å; Y941-Y957 AromaticContact CD2-CZ 3.77Å; Y941-Y957 HydrophobicContact CE1-CE1 4.25Å; Y941-Y957 AromaticContact CE2-CD1 3.6Å; Y941-Y957 HydrophobicContact CE2-CD1 3.6Å; Y941-Y957 AromaticContact CE2-CE1 3.24Å; Y941-Y957 HydrophobicContact CE2-CE1 3.24Å; Y941-Y957 HydrophobicContact CE2-CG 4.46Å; Y941-Y957 AromaticContact CE2-CZ 3.86Å; Y941-Y957 HydrophobicContact CG-CE1 4.17Å; Y941-Y957 AromaticContact CZ-CD1 3.84Å; Y941-Y957 AromaticContact CZ-CE1 3.66Å; Y941-Y957 PolarHBondContact O-OH 3.5Å; M944-Y957 VanDerWaalsContact C-OH 3.31Å; M944-Y957 WeakPolarHBondContact CB-OH 3.38Å; R945-Y957 HydrophobicContact CB-CE1 4Å; R945-Y957 HydrophobicContact CG-CD1 4.39Å; R945-Y957 HydrophobicContact CG-CE1 4.21Å; R945-Y957 PolarHBondContact N-OH 2.91Å; A948-Y957 HydrophobicContact CB-CD1 4.23Å; A948-Y957 HydrophobicContact CB-CD2 3.77Å; A948-Y957 HydrophobicContact CB-CG 3.6Å; F953-Y957 HydrophobicContact CB-CD2 3.98Å; F953-Y957 HydrophobicContact CB-CE2 4.16Å; F953-Y957 HydrophobicContact CD1-CE2 4.2Å; F953-Y957 HydrophobicContact CG-CE2 4.48Å; F953-Y957 WeakPolarHBondContact O-CD2 3.23Å; F953-Y957 PolarHBondContact O-N 3.15Å
958	P	86.3	Confident	70.7	Confident	17 Å²	17	72.7 Å²	72.7	11%	0.11	38%	0.382	C	S	.	.			trans	-68.3	153.3	164.7	29.9	-35.2	0	0	0	111.7	Q962	P958-Q962 HydrophobicContact CB-CB 4.29Å
959	T	76.7	Confident	68.4	Low	70 Å²	70	77 Å²	77	43%	0.429	40%	0.4	S	S	.	.			trans	-77.5	155.7	-175.6	-47.3	0	0	0	0	112.1	E961 Q962 L963	T959-E961 PolarHBondContact O-N 3.41Å; T959-E961 VanDerWaalsContact O-N 3.12Å; T959-Q962 WeakPolarHBondContact O-CB 3.22Å; T959-Q962 PolarHBondContact O-N 3.38Å; T959-L963 PolarHBondContact O-N 3.3Å
960	A	54.4	Low	65.6	Low	49 Å²	49	75.2 Å²	75.2	41%	0.405	40%	0.399	S	S	.	.	H	α-helix	trans	-54.2	-33.7	-177.3	0	0	0	0	0	114.4	L963 Q964	A960-L963 PolarHBondContact O-N 3.06Å; A960-Q964 WeakPolarHBondContact O-CB 3.34Å; A960-Q964 WeakPolarHBondContact O-CG 3.4Å; A960-Q964 PolarHBondContact O-N 2.98Å
961	E	49.8	Very low	62.3	Low	130 Å²	130	80 Å²	80	61%	0.607	43%	0.426	S	S	*	.	H	α-helix	trans	-68.9	-30.9	175.1	-64.4	-171.9	179.7	0	0	113.8	T959 K965	T959-E961 PolarHBondContact O-N 3.41Å; T959-E961 VanDerWaalsContact O-N 3.12Å; E961-K965 WeakPolarHBondContact O-CD 3.3Å; E961-K965 WeakPolarHBondContact O-CG 3.33Å; E961-K965 PolarHBondContact O-N 3.41Å
962	Q	52	Low	59.2	Low	44 Å²	44	77.9 Å²	77.9	21%	0.206	43%	0.426	C	S	.	.	H	α-helix	trans	-69.7	-41.8	173.7	-66.8	167.3	-46.9	0	0	109.4	E820 P958 T959 K965 T966	E820-Q962 PolarHBondContact OE2-NE2 3.38Å; P958-Q962 HydrophobicContact CB-CB 4.29Å; T959-Q962 WeakPolarHBondContact O-CB 3.22Å; T959-Q962 PolarHBondContact O-N 3.38Å; Q962-K965 PolarHBondContact O-N 3.24Å; Q962-T966 PolarHBondContact O-OG1 2.99Å
963	L	47.6	Very low	56.1	Low	75 Å²	75	86 Å²	86	39%	0.393	45%	0.448	S	S	.	.	H	α-helix	trans	-66.3	-39	174.8	-70.8	163	0	0	0	112.8	T959 A960 T966 Q967	T959-L963 PolarHBondContact O-N 3.3Å; A960-L963 PolarHBondContact O-N 3.06Å; L963-T966 WeakPolarHBondContact O-CB 3.48Å; L963-T966 PolarHBondContact O-N 3.35Å; L963-Q967 PolarHBondContact O-N 3.27Å
964	Q	36.8	Very low	52.8	Low	127 Å²	127	93.9 Å²	93.9	59%	0.593	49%	0.488	S	S	*	.	H	α-helix	trans	-66.8	-34.8	176.4	-80.4	-175.4	-14.1	0	0	112.5	A960 T966 Q967 S968	A960-Q964 WeakPolarHBondContact O-CB 3.34Å; A960-Q964 WeakPolarHBondContact O-CG 3.4Å; A960-Q964 PolarHBondContact O-N 2.98Å; Q964-T966 PolarHBondContact O-N 3.29Å; Q964-Q967 PolarHBondContact O-N 2.94Å; Q964-S968 VanDerWaalsContact O-CB 3.28Å; Q964-S968 WeakPolarHBondContact O-CB 3.45Å; Q964-S968 PolarHBondContact O-N 3.46Å; Q964-S968 PolarHBondContact O-OG 2.93Å
965	K	41.5	Very low	49.6	Very low	131 Å²	131	96.8 Å²	96.8	57%	0.57	51%	0.509	S	S	*	.	H	α-helix	trans	-62.6	-24.7	172.9	-75.3	161.6	-176.1	154	0	113.2	E961 Q962 Q969	E961-K965 WeakPolarHBondContact O-CD 3.3Å; E961-K965 WeakPolarHBondContact O-CG 3.33Å; E961-K965 PolarHBondContact O-N 3.41Å; Q962-K965 PolarHBondContact O-N 3.24Å; K965-Q969 PolarHBondContact O-NE2 3.07Å
966	T	37.9	Very low	46.2	Very low	54 Å²	54	102.9 Å²	102.9	33%	0.331	53%	0.532	S	S	.	.	H	α-helix	trans	-82.5	-42.5	171	-38.8	0	0	0	0	111.8	Q814 Q962 L963 Q964	Q814-T966 WeakPolarHBondContact O-CG2 3.41Å; Q962-T966 PolarHBondContact O-OG1 2.99Å; L963-T966 WeakPolarHBondContact O-CB 3.48Å; L963-T966 PolarHBondContact O-N 3.35Å; Q964-T966 PolarHBondContact O-N 3.29Å
967	Q	32.6	Very low	42.9	Very low	140 Å²	140	107.9 Å²	107.9	65%	0.654	57%	0.566	S	S	*	*	H	α-helix	trans	-82.2	-26.6	-174.1	-69.6	-177.4	-9.1	0	0	114.7	L963 Q964 Q969 G970	L963-Q967 PolarHBondContact O-N 3.27Å; Q964-Q967 PolarHBondContact O-N 2.94Å; Q967-Q969 PolarHBondContact O-N 3.22Å; Q967-Q969 VanDerWaalsContact O-N 3.08Å; Q967-G970 PolarHBondContact O-N 3.36Å; Q967-G970 VanDerWaalsContact O-N 3.13Å
968	S	29.3	Very low	39.5	Very low	96 Å²	96	113.9 Å²	113.9	67%	0.671	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-1.1	178.2	73.9	0	0	0	0	113.8	Q964	Q964-S968 VanDerWaalsContact O-CB 3.28Å; Q964-S968 WeakPolarHBondContact O-CB 3.45Å; Q964-S968 PolarHBondContact O-N 3.46Å; Q964-S968 PolarHBondContact O-OG 2.93Å
969	Q	45.2	Very low	36.6	Very low	97 Å²	97	119 Å²	119	45%	0.453	64%	0.638	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.1	-0.4	174.1	-59.5	-175.1	41.9	0	0	112.9	K965 Q967	K965-Q969 PolarHBondContact O-NE2 3.07Å; Q967-Q969 PolarHBondContact O-N 3.22Å; Q967-Q969 VanDerWaalsContact O-N 3.08Å
970	G	34.4	Very low	34.2	Very low	58 Å²	58	124 Å²	124	60%	0.598	66%	0.656	S	S	*	*			trans	-139.9	30.8	-169.1	0	0	0	0	0	116.2	Q967 Q972	Q967-G970 PolarHBondContact O-N 3.36Å; Q967-G970 VanDerWaalsContact O-N 3.13Å; G970-Q972 PolarHBondContact O-N 2.9Å
971	L	24.3	Very low	32.8	Very low	156 Å²	156	127.5 Å²	127.5	82%	0.817	68%	0.675	S	S	*	*			trans	-92.2	74.2	-177.3	-163.4	73.5	0	0	0	114.2
972	Q	27.4	Very low	31.6	Very low	181 Å²	181	129.2 Å²	129.2	85%	0.846	69%	0.687	S	S	*	*	S	Bend	trans	-157	137.8	146	-112.6	174.9	44.5	0	0	110.5	G970	G970-Q972 PolarHBondContact O-N 2.9Å
973	R	28.4	Very low	30.5	Very low	239 Å²	239	132 Å²	132	90%	0.902	71%	0.709	S	S	*	*			trans	70.6	84	-174.7	-53.1	-176.6	-178.8	-164	-1.2	115.8
974	L	26.5	Very low	29.4	Very low	164 Å²	164	135.7 Å²	135.7	86%	0.859	73%	0.729	S	S	*	*			trans	-123.6	65.5	162.4	-102.8	174.4	0	0	0	111.1
975	T	25.5	Very low	29.1	Very low	129 Å²	129	137.8 Å²	137.8	79%	0.791	74%	0.739	S	S	*	*			trans	-152.5	90.7	169.3	48.7	0	0	0	0	110.8
976	E	23.1	Very low	28.4	Very low	192 Å²	192	137.8 Å²	137.8	90%	0.897	75%	0.75	S	S	*	*			trans	-179.4	144.6	140.6	-104.8	169.9	-153.3	0	0	111
977	P	26.1	Very low	27.8	Very low	113 Å²	113	141.9 Å²	141.9	73%	0.734	78%	0.775	S	S	*	*			trans	-88.6	116.6	-178.9	33.2	-31.7	0	0	0	112.3	T979	P977-T979 PolarHBondContact O-N 3.15Å
978	C	22.7	Very low	27.4	Very low	129 Å²	129	143 Å²	143	87%	0.872	79%	0.785	S	S	*	*			trans	-70.8	123.5	172.9	-168.3	0	0	0	0	110.9
979	T	26.3	Very low	27.3	Very low	124 Å²	124	144.2 Å²	144.2	76%	0.761	79%	0.79	S	S	*	*			trans	-124.2	111.1	178.3	-44.5	0	0	0	0	109.1	P977	P977-T979 PolarHBondContact O-N 3.15Å
980	Q	26.2	Very low	26.4	Very low	176 Å²	176	146 Å²	146	82%	0.822	81%	0.808	S	S	*	*			trans	-140.6	153.7	164.5	-73.4	-158.6	-2	0	0	111.1
981	P	25.5	Very low	26	Very low	122 Å²	122	150.8 Å²	150.8	79%	0.792	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-89.1	163.4	-168.3	-5.2	26.2	0	0	0	113.6
982	L	25.1	Very low	26	Very low	166 Å²	166	152.7 Å²	152.7	87%	0.869	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-69.8	142.9	165.3	-71.8	143.8	0	0	0	110.5
983	P	28.4	Very low	25.8	Very low	102 Å²	102	150 Å²	150	66%	0.662	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-83	127.5	171	31.8	-31.8	0	0	0	111.7	H985	P983-H985 PolarHBondContact O-N 2.98Å
984	D	25.2	Very low	25.7	Very low	153 Å²	153	145.9 Å²	145.9	82%	0.818	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-76.2	119.1	170.8	-79.4	-47.5	0	0	0	111.4
985	H	29.6	Very low	25.5	Very low	171 Å²	171	145.7 Å²	145.7	79%	0.792	81%	0.805	S	S	*	*			trans	-130.2	86.5	170.9	-76.1	-25.3	0	0	0	111.1	P983	P983-H985 PolarHBondContact O-N 2.98Å
986	T	25.8	Very low	25.5	Very low	132 Å²	132	143.9 Å²	143.9	81%	0.81	80%	0.798	S	S	*	*			trans	-126	91.2	172.6	-52.7	0	0	0	0	110.4
987	T	25.6	Very low	25.8	Very low	139 Å²	139	141.2 Å²	141.2	85%	0.853	80%	0.795	S	S	*	*			trans	-152.2	97.3	169.3	0.2	0	0	0	0	111.6
988	L	25.5	Very low	26.4	Very low	164 Å²	164	141.1 Å²	141.1	86%	0.859	80%	0.795	S	S	*	*			trans	-88.5	135.6	164.6	-87.9	152.8	0	0	0	109.4
989	P	27.4	Very low	26.6	Very low	121 Å²	121	142.8 Å²	142.8	79%	0.786	79%	0.794	S	S	*	*			trans	-86	110.9	171.7	32.2	-30.5	0	0	0	110.8
990	T	25.1	Very low	26.6	Very low	134 Å²	134	143 Å²	143	82%	0.822	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-87.8	138.3	173.1	-47.7	0	0	0	0	110.7
991	L	26.9	Very low	26.6	Very low	160 Å²	160	143 Å²	143	84%	0.838	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-64.1	150	175.1	-79.3	75.6	0	0	0	111.7
992	Q	23.1	Very low	26.5	Very low	195 Å²	195	143.6 Å²	143.6	91%	0.911	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-84.5	136.3	171.4	-67.1	179.8	-21.3	0	0	111.2
993	T	24	Very low	26.5	Very low	126 Å²	126	139.3 Å²	139.3	77%	0.773	80%	0.796	S	S	*	*			trans	-148.3	121.6	154.9	-31.4	0	0	0	0	111
994	Q	25.6	Very low	26.5	Very low	151 Å²	151	143.7 Å²	143.7	71%	0.706	81%	0.808	S	S	*	*			trans	7.6	137.9	163.2	-69.5	168.6	-93.9	0	0	122.9
995	E	23.7	Very low	26.6	Very low	160 Å²	160	142.4 Å²	142.4	75%	0.748	81%	0.811	S	S	*	*			trans	70.7	148.5	136.9	-69.4	161.4	-139.2	0	0	120.1
996	S	25.5	Very low	26.4	Very low	91 Å²	91	141.7 Å²	141.7	64%	0.636	81%	0.812	S	S	*	*			cis	-165.1	159.9	-16.8	54	0	0	0	0	112.9
997	T	29	Very low	27.2	Very low	137 Å²	137	141.2 Å²	141.2	84%	0.84	81%	0.811	S	S	*	*			trans	69.2	160	160.1	46.5	0	0	0	0	120.9
998	P	39.2	Very low	27.3	Very low	111 Å²	111	139.5 Å²	139.5	72%	0.721	81%	0.805	S	S	*	*			trans	-132.7	-156.2	-151.5	44.8	-26.7	0	0	0	116.1
999	L	25.7	Very low	27.5	Very low	163 Å²	163	135.8 Å²	135.8	85%	0.853	79%	0.793	S	S	*	*			trans	92.3	147.5	-179	-53.2	164.6	0	0	0	113.4
1000	T	26.6	Very low	27.6	Very low	128 Å²	128	140 Å²	140	79%	0.785	79%	0.793	S	S	*	*			cis	-140.4	172.2	14.8	-43	0	0	0	0	112.5
1001	Q	26.3	Very low	27.7	Very low	177 Å²	177	140.9 Å²	140.9	83%	0.827	79%	0.788	S	S	*	*			trans	-72.2	158.6	-179.8	-54.3	156.5	-38.4	0	0	114.6
1002	C	23.8	Very low	27.8	Very low	135 Å²	135	141.6 Å²	141.6	91%	0.912	79%	0.787	S	S	*	*				146.8	156.5	100.8	-153.7	0	0	0	0	113.8
1003	G	25.5	Very low	28.6	Very low	75 Å²	75	138.3 Å²	138.3	77%	0.773	78%	0.782	S	S	*	*			trans	133.5	108	168.3	0	0	0	0	0	114.8
1004	Q	27.6	Very low	29	Very low	195 Å²	195	138.4 Å²	138.4	91%	0.911	78%	0.782	S	S	*	*			trans	-108	150.9	175.1	-64.1	173.3	-29.5	0	0	111.1
1005	S	26.3	Very low	30	Very low	125 Å²	125	136.7 Å²	136.7	87%	0.874	78%	0.784	S	S	*	*				-176.7	150.3	126	35.7	0	0	0	0	113.2
1006	L	26.9	Very low	30.3	Very low	157 Å²	157	134 Å²	134	82%	0.822	78%	0.783	S	S	*	*			trans	-139.3	151.1	169.9	-126	140.8	0	0	0	105.2
1007	P	42.4	Very low	30.5	Very low	121 Å²	121	136.4 Å²	136.4	79%	0.786	79%	0.789	S	S	*	*				-147.5	-179.9	99.2	37.6	-20.2	0	0	0	114.7
1008	S	27.2	Very low	30.4	Very low	104 Å²	104	140.1 Å²	140.1	73%	0.727	79%	0.794	S	S	*	*			trans	-83.9	-178.5	177.3	55.1	0	0	0	0	111.6
1009	S	28.7	Very low	29.8	Very low	86 Å²	86	139.8 Å²	139.8	60%	0.601	79%	0.794	S	S	*	*			cis	-175.8	171.1	36.4	59.1	0	0	0	0	113.7
1010	R	30.4	Very low	30	Very low	209 Å²	209	137.3 Å²	137.3	79%	0.789	79%	0.785	S	S	*	*			trans	71.1	155.6	157.3	-68.5	160.2	179.3	-112.3	7.9	116.6
1011	E	27.1	Very low	30	Very low	152 Å²	152	140 Å²	140	71%	0.71	79%	0.789	S	S	*	*			cis	-149.9	168.5	0.4	-132.2	144.9	-132.2	0	0	112.1
1012	H	29.4	Very low	30.3	Very low	175 Å²	175	136.1 Å²	136.1	81%	0.81	79%	0.787	S	S	*	*			trans	-87.6	161	173	-78.7	-78.8	0	0	0	111.9
1013	P	40.6	Very low	30.4	Very low	126 Å²	126	134.4 Å²	134.4	82%	0.818	78%	0.782	S	S	*	*				-146.4	166.9	95	37.2	-20.5	0	0	0	116.4
1014	V	32	Very low	30.7	Very low	128 Å²	128	139.9 Å²	139.9	78%	0.776	79%	0.788	S	S	*	*			trans	-121.4	140.5	163.8	-159.5	0	0	0	0	107.3
1015	P	46.8	Very low	31.8	Very low	115 Å²	115	135.9 Å²	135.9	75%	0.747	78%	0.779	S	S	*	*				-150.2	176.1	114.7	34.8	-16.5	0	0	0	112.7
1016	S	29.4	Very low	31.9	Very low	104 Å²	104	139 Å²	139	73%	0.727	78%	0.779	S	S	*	*			cis	-166.8	174.2	-26.2	55.9	0	0	0	0	108.6
1017	D	30.4	Very low	32.1	Very low	142 Å²	142	137.8 Å²	137.8	76%	0.759	78%	0.778	S	S	*	*			trans	-61.4	161.3	-178.3	-48.2	-94.8	0	0	0	116.3
1018	F	26.2	Very low	31.5	Very low	215 Å²	215	140.8 Å²	140.8	94%	0.943	79%	0.787	S	S	*	*			trans	-151.5	158.4	131.4	-107.9	-73.5	0	0	0	110.6
1019	S	26.6	Very low	31.6	Very low	104 Å²	104	139 Å²	139	73%	0.727	79%	0.785	S	S	*	*			trans	-152	179.3	-169.2	-169.6	0	0	0	0	112.7
1020	V	28.7	Very low	31.7	Very low	110 Å²	110	143.3 Å²	143.3	67%	0.667	80%	0.8	S	S	*	*			trans	70.3	107.5	166	-143.3	0	0	0	0	117.6
1021	H	27	Very low	31.8	Very low	184 Å²	184	139.8 Å²	139.8	85%	0.852	80%	0.802	S	S	*	*				-177	160.9	99.7	-102.8	-76.4	0	0	0	112.5
1022	A	33.1	Very low	33.4	Very low	96 Å²	96	138.1 Å²	138.1	79%	0.793	80%	0.804	S	S	*	*			trans	-125.7	146.3	-179.2	0	0	0	0	0	111.4
1023	A	26.6	Very low	34	Very low	99 Å²	99	135.7 Å²	135.7	82%	0.818	80%	0.804	S	S	*	*			trans	-156	128.5	168.6	0	0	0	0	0	112.8
1024	H	31.1	Very low	33.6	Very low	191 Å²	191	134 Å²	134	88%	0.884	80%	0.796	S	S	*	*			trans	-121.3	167	148.8	-89.3	-57.6	0	0	0	105.6
1025	P	51.4	Low	33.8	Very low	111 Å²	111	135.1 Å²	135.1	72%	0.721	79%	0.792	S	S	*	*			cis	-131.3	-170.5	14	41.5	-23.9	0	0	0	113.6
1026	E	27.5	Very low	33.1	Very low	189 Å²	189	135.1 Å²	135.1	88%	0.883	79%	0.786	S	S	*	*				-174.5	173.2	112.5	-102.8	-166.5	163.6	0	0	112.5
1027	V	32.3	Very low	33.2	Very low	132 Å²	132	135.8 Å²	135.8	80%	0.8	79%	0.785	S	S	*	*			trans	-129.5	125.9	-173	174	0	0	0	0	110.4
1028	L	30	Very low	33	Very low	184 Å²	184	133.8 Å²	133.8	96%	0.963	78%	0.782	S	S	*	*			trans	-140.3	141.8	159.3	-78.8	177.9	0	0	0	109.7
1029	G	29.2	Very low	33.2	Very low	67 Å²	67	132.3 Å²	132.3	69%	0.691	78%	0.779	S	S	*	*			trans	-136.1	148.6	173.9	0	0	0	0	0	110.8
1030	L	29.1	Very low	33.3	Very low	177 Å²	177	138.7 Å²	138.7	93%	0.927	79%	0.787	S	S	*	*			trans	-140.2	152.4	172.4	-83.6	177	0	0	0	110.9
1031	T	32.9	Very low	34.2	Very low	134 Å²	134	139.8 Å²	139.8	82%	0.822	80%	0.796	S	S	*	*			trans	-95.7	169.3	-173.6	27.4	0	0	0	0	112.7
1032	P	60.7	Low	34.4	Very low	117 Å²	117	134.6 Å²	134.6	76%	0.76	79%	0.785	S	S	*	*			trans	-96.6	179	-160.4	39.6	-38.4	0	0	0	114.2
1033	P	43.3	Very low	34.5	Very low	125 Å²	125	136.8 Å²	136.8	81%	0.812	79%	0.788	S	S	*	*			trans	-126.7	172.2	152	40.7	-29.9	0	0	0	113.6
1034	S	32	Very low	35.7	Very low	91 Å²	91	136.9 Å²	136.9	64%	0.636	78%	0.78	S	S	*	*			trans	-106.5	-173.2	162.1	61.6	0	0	0	0	109.4
1035	E	35.4	Very low	35.5	Very low	151 Å²	151	135.1 Å²	135.1	71%	0.706	78%	0.777	S	S	*	*			cis	-159.8	-162.6	9.2	-137	156.4	-77.9	0	0	105.7
1036	N	31.3	Very low	34.5	Very low	114 Å²	114	137.8 Å²	137.8	61%	0.61	78%	0.782	S	S	*	*			cis	-161.3	159.4	6.1	-142.1	-30.6	0	0	0	112.9
1037	V	31.6	Very low	35.6	Very low	119 Å²	119	133.6 Å²	133.6	72%	0.721	77%	0.771	S	S	*	*			trans	63.1	151.9	141.7	144.4	0	0	0	0	123.1
1038	S	28.1	Very low	35.6	Very low	99 Å²	99	135.9 Å²	135.9	69%	0.692	77%	0.773	S	S	*	*			trans	83.6	137.8	166.9	76.8	0	0	0	0	117.4
1039	Q	29.4	Very low	35.5	Very low	185 Å²	185	132.1 Å²	132.1	86%	0.864	76%	0.758	S	S	*	*			cis	-155.8	158.9	-8	-124.7	169.4	2.4	0	0	111.4
1040	W	29	Very low	35.4	Very low	237 Å²	237	136.4 Å²	136.4	90%	0.898	76%	0.764	S	S	*	*			trans	-86.8	165.5	167.4	-72	0.6	0	0	0	111.5
1041	P	47.1	Very low	35.5	Very low	134 Å²	134	131.3 Å²	131.3	87%	0.87	75%	0.747	S	S	*	*				-137.6	179.9	92.1	38.8	-26.2	0	0	0	114.2
1042	A	31.2	Very low	35.3	Very low	75 Å²	75	131.9 Å²	131.9	62%	0.62	74%	0.744	S	S	*	*			trans	-151.2	164	-175.2	0	0	0	0	0	114.4
1043	V	35.4	Very low	33.8	Very low	141 Å²	141	134.3 Å²	134.3	86%	0.855	75%	0.75	S	S	*	*			trans	60.9	169.4	170.8	-104.1	0	0	0	0	115.9
1044	P	51	Low	33.3	Very low	101 Å²	101	135.2 Å²	135.2	66%	0.656	75%	0.747	S	S	*	*			cis	-140.6	173	12.8	45	-26.5	0	0	0	119.9
1045	L	27.8	Very low	33.4	Very low	155 Å²	155	137.8 Å²	137.8	81%	0.812	75%	0.754	S	S	*	*			trans	63.6	131.3	153.2	-64.1	152.1	0	0	0	120
1046	M	29.7	Very low	33.3	Very low	167 Å²	167	140.5 Å²	140.5	82%	0.823	76%	0.764	S	S	*	*				76.4	151.4	51.7	-78	-76.4	176.5	0	0	115
1047	P	51.7	Low	33.6	Very low	101 Å²	101	140.4 Å²	140.4	66%	0.656	77%	0.767	S	S	*	*			cis	-140	-157.7	-0.7	34.1	-9.1	0	0	0	115.6
1048	E	30.9	Very low	33.8	Very low	179 Å²	179	139.9 Å²	139.9	84%	0.836	77%	0.769	S	S	*	*			trans	79	148.5	151.7	-76.8	-167	167.2	0	0	120.5
1049	V	29.3	Very low	34.5	Very low	106 Å²	106	139.5 Å²	139.5	64%	0.642	77%	0.772	S	S	*	*			cis	-161.5	152.7	-2.8	97.8	0	0	0	0	114
1050	L	27.5	Very low	35	Very low	156 Å²	156	142 Å²	142	82%	0.817	79%	0.791	S	S	*	*			trans	55.4	158.4	159.5	-64.8	173.2	0	0	0	120.4
1051	A	29.7	Very low	35.3	Very low	71 Å²	71	137.3 Å²	137.3	59%	0.587	79%	0.786	S	S	*	*			cis	-165.3	151.5	-18.2	0	0	0	0	0	113.6
1052	I	29.8	Very low	34.7	Very low	146 Å²	146	137.5 Å²	137.5	75%	0.749	78%	0.781	S	S	*	*			trans	39.7	117.7	137.6	-52.3	163.1	0	0	0	119.5
1053	L	28.4	Very low	34.9	Very low	168 Å²	168	140.9 Å²	140.9	88%	0.88	79%	0.79	S	S	*	*				-166.4	135.6	113.9	-106.9	174.5	0	0	0	112.3
1054	D	32.8	Very low	34.8	Very low	143 Å²	143	140.9 Å²	140.9	77%	0.765	79%	0.787	S	S	*	*			trans	-96.5	168.5	175.8	-68.1	-67.1	0	0	0	112.5
1055	D	33.7	Very low	33.8	Very low	146 Å²	146	143.4 Å²	143.4	78%	0.781	80%	0.795	S	S	*	*			trans	51.1	124.3	151	-105.8	-21	0	0	0	121
1056	K	33.1	Very low	34.2	Very low	208 Å²	208	142.7 Å²	142.7	90%	0.904	79%	0.794	S	S	*	*				-158	152	124.4	-116.8	166.9	-170.3	175.7	0	115
1057	T	38.2	Very low	34.6	Very low	112 Å²	112	140.9 Å²	140.9	69%	0.687	79%	0.792	S	S	*	*			trans	-94.9	167.8	-174.8	54.8	0	0	0	0	113.6
1058	S	36.4	Very low	33.2	Very low	108 Å²	108	144 Å²	144	76%	0.755	80%	0.802	S	S	*	*			trans	69.5	139.9	145	59.3	0	0	0	0	120.9
1059	A	42	Very low	33.4	Very low	91 Å²	91	141.1 Å²	141.1	75%	0.752	80%	0.799	S	S	*	*			trans	69.3	137.2	171.8	0	0	0	0	0	115.9
1060	D	40.5	Very low	33.8	Very low	238 Å²	238	144.3 Å²	144.3	100%	1.273	81%	0.814	S	S	*	*			cis	-123.5	0	-2.8	-77.7	-55.6	0	0	0	111.3

Retrieved 1,060 of 1,060 residues in 899.8 ms (Link to these results)

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